A0A2K5L4M7_CERAT Loading...

Zinc finger protein 197

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A2K5L4M7, Species CERAT (Cercocebus atys, Sooty mangabey), Gene ZNF197, Length 1,029 aa.

						>A0A2K5L4M7_CERAT|A0A2K5L4M7|ZNF197
MTRENWAHNALRQEGLVKGKDDTWKWGTSFQGSSSSVWETSHLHFRQLRYHETSGPQEALSRLRELCRRWLRPEARTKAQILELLVLEQFLSILPGEIRTWVQLHHPGSGEEAVALVEELQKDLDGPAIQVPVLVQDQDTLQKAVSAPGTTLPPVLPGSHIAAEICPHPPTDLVAFNLQDPQHDSPAPEASALSQEENPRNQLMALMLLTAQPQELVMFEEVSVCFTSEEWACLGPIQRALYWDVMLENYGNVTSLEWETMTENEEVTSKPSSSQRADSHKGTSKRLQGSVPQVLDFEEECEWQVLASQWGNETDERADTVKKGSLCERDKKKRTPPEKQGQKWKEFGDSLTFSSAISETLIGTEGKKFYKCDICCKHFNKISHLINHRRIHTGEKPHKCKECGKGFIQRSSLLMHLRNHSGEKPYKCNECGKAFSQSAYLLNHQRIHTGEKPYKCKECGKGFYRHSGLIIHLRRHSGERPYKCNECGKVFSQNAYLIDHQRLHKGEEPYKCNKCQKAFILKKSLILHQRIHSGEKPYKCDECGKTFAQTTYLIDHQRLHSAENPYKCKECGKVFIRSKSLLLHQRVHTEKKTFGCKKCGKIFSSKSNFLDHKRMHSREKPYKCTECGKAFTQSAYLFDHQRLHNGEKPYECNECGKVFILKKSLILHQRFHTGENLYECKDCGKVFGSNRNLIDHERLHNGEKPYECQECGKTFIMSKSFMVHQKLHTQEKAYKCEDCGKAFSYNSSLLVHRRIHTGEKPFECGECGRAFSSNRNLIEHKRIHSGEKPYECDECGKCFILKKSLIGHQRIHTREKSYKCNDCGKVFSYRSNLIAHQRIHTGEKPYACNECGKGFTYNRNLIEHQRIHSGEKTYECLICRKVLTSSRNLMVHQRIHTGEKPYKCNECGKDFSQNKNLVVHQRMHTGEKPYECEKCRKSFTSKRNLVGHQRIHTGEKPYGCNDCSKVFRQRKNLTVHQKIHTDEKPCECDVSEKEFCQTSSIHLQQKIHTIEELSWLQNTHESKIEIQKI
					

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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	29.6	Very low	27.2	Very low	249 Å²	249	155.2 Å²	155.2	100%	1.227	79%	0.788	S	S	*	*				0	162.3	0	-81.2	164.7	168.6	0	0	109
2	T	24	Very low	27	Very low	122 Å²	122	158.6 Å²	158.6	75%	0.748	78%	0.784	S	S	*	*			trans	-130	155.7	-150.7	47.3	0	0	0	0	112.8
3	R	25.1	Very low	27.5	Very low	202 Å²	202	160.6 Å²	160.6	76%	0.762	79%	0.79	S	S	*	*			trans	69.9	155.8	158.2	-67.2	166.8	87.4	149.3	16.4	113.9
4	E	29.6	Very low	27.3	Very low	128 Å²	128	161.4 Å²	161.4	60%	0.598	79%	0.791	S	S	*	*			cis	-168.8	166.5	-3.8	-111.4	165.7	163	0	0	107.4
5	N	29	Very low	27.3	Very low	111 Å²	111	155.3 Å²	155.3	59%	0.594	79%	0.786	S	S	*	*			cis	-162.5	154.9	-19.9	-136.8	4.3	0	0	0	110.4
6	W	27.8	Very low	27.1	Very low	235 Å²	235	155.3 Å²	155.3	89%	0.89	79%	0.788	S	S	*	*			trans	63.6	157.3	144.2	-81.1	33.1	0	0	0	120.8
7	A	25.5	Very low	27.2	Very low	82 Å²	82	153.9 Å²	153.9	68%	0.678	79%	0.789	S	S	*	*			cis	-151.3	172.1	-6	0	0	0	0	0	112.9
8	H	29.9	Very low	27.2	Very low	169 Å²	169	155.1 Å²	155.1	78%	0.782	79%	0.787	S	S	*	*			trans	-70.8	158.7	-177.6	-77.6	-114.4	0	0	0	115.6
9	N	25.3	Very low	27.4	Very low	169 Å²	169	150.1 Å²	150.1	90%	0.904	78%	0.778	S	S	*	*				-147.2	157.7	113.8	-116.3	-42.4	0	0	0	111.4
10	A	28	Very low	27.8	Very low	76 Å²	76	153.2 Å²	153.2	63%	0.628	79%	0.785	S	S	*	*			trans	-147.7	147.1	-166.9	0	0	0	0	0	113.8
11	L	25.8	Very low	27.9	Very low	164 Å²	164	153.2 Å²	153.2	86%	0.859	79%	0.787	S	S	*	*			trans	174.7	143.2	162.1	-95.1	157.1	0	0	0	106.3
12	R	24.2	Very low	28.4	Very low	196 Å²	196	147.7 Å²	147.7	74%	0.74	76%	0.762	S	S	*	*			cis	-151.8	145.6	-11.3	-162.4	-179.5	-163.2	-121.5	9.3	107	E14	R12-E14 IonicContact NH1-OE1 2.7Å; R12-E14 PolarHBondContact NH1-OE1 3.47Å
13	Q	33.7	Very low	28.5	Very low	185 Å²	185	146.8 Å²	146.8	86%	0.864	76%	0.757	S	S	*	*			trans	-86.8	144.6	168.8	-77.9	-174.7	-21.7	0	0	110.7
14	E	25	Very low	28.5	Very low	171 Å²	171	147.9 Å²	147.9	80%	0.799	76%	0.761	S	S	*	*			trans	-131.3	137.4	147.6	-66.6	-167.7	174.1	0	0	108.6	R12	R12-E14 IonicContact NH1-OE1 2.7Å; R12-E14 PolarHBondContact NH1-OE1 3.47Å
15	G	27.7	Very low	28.3	Very low	70 Å²	70	150.6 Å²	150.6	72%	0.722	77%	0.771	S	S	*	*			trans	-127	152	-169.9	0	0	0	0	0	112.1
16	L	24	Very low	28.1	Very low	156 Å²	156	157.4 Å²	157.4	82%	0.817	79%	0.789	S	S	*	*			trans	-89.7	113.9	-172.7	-169.1	61.1	0	0	0	111.6	W24	L16-W24 HydrophobicContact CD2-CH2 4.11Å
17	V	28.2	Very low	28	Very low	132 Å²	132	149.3 Å²	149.3	80%	0.8	78%	0.778	S	S	*	*			trans	-86.4	139.2	178.3	178.2	0	0	0	0	110.7
18	K	27.5	Very low	28.1	Very low	175 Å²	175	152.1 Å²	152.1	76%	0.761	79%	0.787	S	S	*	*			trans	-88.2	113.2	180	-172.9	176.9	-179.2	-179.4	0	111.8
19	G	30.6	Very low	28	Very low	59 Å²	59	149.1 Å²	149.1	61%	0.608	79%	0.785	S	S	*	*			trans	-75.1	162.3	170.8	0	0	0	0	0	113.7	D21	G19-D21 PolarHBondContact O-N 2.89Å
20	K	34.9	Very low	28	Very low	212 Å²	212	151.4 Å²	151.4	92%	0.922	79%	0.788	S	S	*	*	S	Bend	trans	-97.1	72.8	176.9	-68.8	-178.4	-179.7	176	0	112
21	D	30	Very low	28.6	Very low	154 Å²	154	157.5 Å²	157.5	82%	0.824	80%	0.803	S	S	*	*	S	Bend	trans	-171	134.8	142.2	-103.6	-26.9	0	0	0	109.3	G19 T23	G19-D21 PolarHBondContact O-N 2.89Å; D21-T23 PolarHBondContact O-N 3.41Å
22	D	40.3	Very low	29.1	Very low	133 Å²	133	152.2 Å²	152.2	71%	0.711	79%	0.788	S	S	*	*			trans	-83.1	79.9	-171.4	-77.6	-51.7	0	0	0	111.5
23	T	25.5	Very low	29.8	Very low	104 Å²	104	147.3 Å²	147.3	64%	0.638	78%	0.784	S	S	*	*			trans	-146.7	95.6	165.3	-43.6	0	0	0	0	113.1	D21 K25	D21-T23 PolarHBondContact O-N 3.41Å; T23-K25 HydrophobicContact CG2-CG 4.04Å; T23-K25 PolarHBondContact O-N 3.46Å
24	W	25.7	Very low	30.3	Very low	225 Å²	225	142 Å²	142	85%	0.852	77%	0.767	S	S	*	*			trans	-75.8	82.3	171.3	-71.5	86.7	0	0	0	111.4	L16	L16-W24 HydrophobicContact CD2-CH2 4.11Å
25	K	25.2	Very low	31.3	Very low	184 Å²	184	137 Å²	137	80%	0.8	75%	0.751	S	S	*	*			trans	-88.6	122	161.3	-68.8	-175.2	-178.3	179.3	0	109	T23 G27	T23-K25 HydrophobicContact CG2-CG 4.04Å; T23-K25 PolarHBondContact O-N 3.46Å; K25-G27 PolarHBondContact O-N 2.63Å
26	W	25.5	Very low	32.5	Very low	255 Å²	255	136.3 Å²	136.3	97%	0.966	74%	0.735	S	S	*	*			trans	-79	105	167.4	-149.3	-43.6	0	0	0	108.6
27	G	25.1	Very low	33.9	Very low	65 Å²	65	133 Å²	133	67%	0.67	72%	0.721	S	S	*	*			trans	-69.3	131.7	176.1	0	0	0	0	0	111.6	K25 S29	K25-G27 PolarHBondContact O-N 2.63Å; G27-S29 PolarHBondContact O-N 3.45Å
28	T	28.3	Very low	35.6	Very low	141 Å²	141	129 Å²	129	87%	0.865	69%	0.692	S	S	*	*			trans	-86	103.8	176.7	46.6	0	0	0	0	111.7
29	S	27.6	Very low	37.2	Very low	106 Å²	106	124 Å²	124	74%	0.741	67%	0.671	S	S	*	*			trans	175.6	109.3	133.3	51.4	0	0	0	0	113.1	G27	G27-S29 PolarHBondContact O-N 3.45Å
30	F	25.8	Very low	38.9	Very low	217 Å²	217	124.4 Å²	124.4	95%	0.952	66%	0.662	S	S	*	*			trans	-148.3	112.5	141.5	-121.8	-82.9	0	0	0	106.9	G32	F30-G32 PolarHBondContact O-N 3.25Å
31	Q	40.3	Very low	40.6	Very low	204 Å²	204	114.7 Å²	114.7	95%	0.953	62%	0.621	S	S	*	*			trans	-104.5	78.5	-161.5	-165.1	163.9	-10.4	0	0	110.4
32	G	35.4	Very low	42.7	Very low	53 Å²	53	109 Å²	109	55%	0.546	59%	0.589	S	S	.	*	S	Bend	trans	-177.2	159.4	179.9	0	0	0	0	0	111.6	F30 S34	F30-G32 PolarHBondContact O-N 3.25Å; G32-S34 VanDerWaalsContact C-N 3.25Å; G32-S34 PolarHBondContact O-N 3.3Å
33	S	39.7	Very low	44.2	Very low	92 Å²	92	107 Å²	107	64%	0.643	58%	0.578	S	S	*	*	S	Bend	trans	54	10.9	174	69.9	0	0	0	0	119.9	S35	S33-S35 VanDerWaalsContact C-N 3.26Å; S33-S35 PolarHBondContact O-N 3Å
34	S	44.8	Very low	46.4	Very low	74 Å²	74	106.9 Å²	106.9	52%	0.517	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.6	-21	169.7	-176.7	0	0	0	0	114	G32 R72	G32-S34 VanDerWaalsContact C-N 3.25Å; G32-S34 PolarHBondContact O-N 3.3Å; S34-R72 PolarHBondContact OG-NH1 3.18Å; S34-R72 VanDerWaalsContact OG-NH1 3.11Å
35	S	45.9	Very low	49	Very low	65 Å²	65	99.1 Å²	99.1	46%	0.455	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-55.2	179.9	-127.4	0	0	0	0	111.6	S33 V37 W38 E39	S33-S35 VanDerWaalsContact C-N 3.26Å; S33-S35 PolarHBondContact O-N 3Å; S35-V37 PolarHBondContact O-N 2.96Å; S35-W38 WeakPolarHBondContact O-CA 3.44Å; S35-W38 WeakPolarHBondContact O-CB 3.47Å; S35-W38 PolarHBondContact O-N 2.99Å; S35-E39 VanDerWaalsContact C-CD 3.44Å; S35-E39 WeakPolarHBondContact CB-OE1 3.46Å; S35-E39 VanDerWaalsContact O-CD 3.27Å; S35-E39 PolarHBondContact O-N 3Å; S35-E39 PolarHBondContact OG-OE1 3.33Å
36	S	51.9	Low	51.1	Low	57 Å²	57	95.2 Å²	95.2	40%	0.399	52%	0.522	S	S	.	.	H	α-helix	trans	-55.6	-28.8	-173.7	55.3	0	0	0	0	114.7	E39 T40	S36-E39 VanDerWaalsContact CA-OE2 3.24Å; S36-E39 WeakPolarHBondContact CA-OE2 3.2Å; S36-E39 PolarHBondContact N-OE2 3.44Å; S36-E39 VanDerWaalsContact N-OE2 3.15Å; S36-T40 WeakPolarHBondContact O-CB 3.42Å; S36-T40 WeakPolarHBondContact O-CG2 3.25Å; S36-T40 PolarHBondContact O-N 2.93Å; S36-T40 PolarHBondContact O-OG1 2.79Å
37	V	53.9	Low	53.3	Low	86 Å²	86	88.4 Å²	88.4	52%	0.521	50%	0.501	S	S	.	.	H	α-helix	trans	-73.8	-32.9	174.8	-177.9	0	0	0	0	112.7	S35 T40 S41	S35-V37 PolarHBondContact O-N 2.96Å; V37-T40 PolarHBondContact O-OG1 3.42Å; V37-S41 VanDerWaalsContact O-CB 3.29Å; V37-S41 WeakPolarHBondContact O-CB 3.17Å; V37-S41 PolarHBondContact O-N 3.31Å; V37-S41 PolarHBondContact O-OG 3.28Å
38	W	64.1	Low	55.6	Low	48 Å²	48	87.4 Å²	87.4	18%	0.182	48%	0.48	C	S	.	.	H	α-helix	trans	-74.9	-44	174.7	117.7	-87.3	0	0	0	110.8	S35 S41 H42 W70 R76 L84	S35-W38 WeakPolarHBondContact O-CA 3.44Å; S35-W38 WeakPolarHBondContact O-CB 3.47Å; S35-W38 PolarHBondContact O-N 2.99Å; W38-S41 PolarHBondContact O-N 2.76Å; W38-H42 PolarHBondContact O-N 2.95Å; W38-W70 AromaticContact CE3-CD1 3.41Å; W38-W70 VanDerWaalsContact CE3-CD1 3.41Å; W38-W70 HydrophobicContact CE3-CG 4.44Å; W38-W70 AromaticContact CE3-NE1 3.96Å; W38-W70 AromaticContact CH2-NE1 3.73Å; W38-W70 AromaticContact CZ3-CD1 3.17Å; W38-W70 HydrophobicContact CZ3-CG 4.28Å; W38-W70 AromaticContact CZ3-NE1 3.23Å; W38-R76 VanDerWaalsContact CZ3-NH1 3.26Å; W38-L84 HydrophobicContact CH2-CD2 3.93Å; W38-L84 HydrophobicContact CZ3-CD1 4.41Å
39	E	60.6	Low	57.7	Low	69 Å²	69	88.8 Å²	88.8	32%	0.322	47%	0.47	S	S	.	.	H	α-helix	trans	-63.5	-48.9	176.5	-75	114.2	-140.5	0	0	112.3	S35 S36 S41 H42 L43	S35-E39 VanDerWaalsContact C-CD 3.44Å; S35-E39 WeakPolarHBondContact CB-OE1 3.46Å; S35-E39 VanDerWaalsContact O-CD 3.27Å; S35-E39 PolarHBondContact O-N 3Å; S35-E39 PolarHBondContact OG-OE1 3.33Å; S36-E39 VanDerWaalsContact CA-OE2 3.24Å; S36-E39 WeakPolarHBondContact CA-OE2 3.2Å; S36-E39 PolarHBondContact N-OE2 3.44Å; S36-E39 VanDerWaalsContact N-OE2 3.15Å; E39-S41 VanDerWaalsContact C-N 3.31Å; E39-S41 PolarHBondContact O-N 2.97Å; E39-H42 WeakPolarHBondContact O-CB 3.2Å; E39-H42 PolarHBondContact O-N 3.02Å; E39-H42 VanDerWaalsContact O-N 3.13Å; E39-L43 PolarHBondContact O-N 2.92Å
40	T	65.9	Low	59.5	Low	69 Å²	69	91 Å²	91	42%	0.423	46%	0.463	S	S	.	.	H	α-helix	trans	-63.9	-36	177.4	48.1	0	0	0	0	112.4	S36 V37 H42 H44	S36-T40 WeakPolarHBondContact O-CB 3.42Å; S36-T40 WeakPolarHBondContact O-CG2 3.25Å; S36-T40 PolarHBondContact O-N 2.93Å; S36-T40 PolarHBondContact O-OG1 2.79Å; V37-T40 PolarHBondContact O-OG1 3.42Å; T40-H42 VanDerWaalsContact C-N 3.33Å; T40-H42 PolarHBondContact O-N 3.15Å; T40-H44 VanDerWaalsContact O-CB 3.32Å; T40-H44 WeakPolarHBondContact O-CB 3.26Å; T40-H44 PolarHBondContact O-N 3.2Å
41	S	71.3	Confident	61.5	Low	7 Å²	7	87.6 Å²	87.6	5%	0.049	45%	0.45	C	S	.	.	H	α-helix	trans	-65.6	-35.4	173.9	-62	0	0	0	0	112.4	V37 W38 E39 F45 R69	V37-S41 VanDerWaalsContact O-CB 3.29Å; V37-S41 WeakPolarHBondContact O-CB 3.17Å; V37-S41 PolarHBondContact O-N 3.31Å; V37-S41 PolarHBondContact O-OG 3.28Å; W38-S41 PolarHBondContact O-N 2.76Å; E39-S41 VanDerWaalsContact C-N 3.31Å; E39-S41 PolarHBondContact O-N 2.97Å; S41-F45 WeakPolarHBondContact O-CB 3.5Å; S41-F45 PolarHBondContact O-N 3.21Å; S41-F45 VanDerWaalsContact O-N 3.07Å; S41-R69 WeakPolarHBondContact OG-CB 3.39Å
42	H	74.9	Confident	62.7	Low	36 Å²	36	82 Å²	82	17%	0.167	42%	0.424	C	S	.	.	H	α-helix	trans	-67.8	-50.5	174.5	-174.1	-158.8	0	0	0	111.9	W38 E39 T40 H44 F45 R46 W70 E88	W38-H42 PolarHBondContact O-N 2.95Å; E39-H42 WeakPolarHBondContact O-CB 3.2Å; E39-H42 PolarHBondContact O-N 3.02Å; E39-H42 VanDerWaalsContact O-N 3.13Å; T40-H42 VanDerWaalsContact C-N 3.33Å; T40-H42 PolarHBondContact O-N 3.15Å; H42-H44 PolarHBondContact O-N 3.44Å; H42-F45 WeakPolarHBondContact O-CB 3.34Å; H42-F45 PolarHBondContact O-N 3.32Å; H42-F45 VanDerWaalsContact O-N 3.07Å; H42-R46 WeakPolarHBondContact NE2-CD 3.3Å; H42-R46 PolarHBondContact O-N 2.79Å; H42-W70 HydrophobicContact CB-CG 4.07Å; H42-W70 AromaticContact CD2-CD1 3.86Å; H42-W70 AromaticContact CD2-CD2 3.93Å; H42-W70 AromaticContact CD2-CE2 3.39Å; H42-W70 AromaticContact CD2-CZ2 3.72Å; H42-W70 AromaticContact CD2-NE1 3.32Å; H42-W70 PolarHBondContact CD2-NE1 3.37Å; H42-W70 VanDerWaalsContact CD2-NE1 3.32Å; H42-W70 AromaticContact CG-CD1 3.56Å; H42-W70 AromaticContact CG-CE2 3.82Å; H42-W70 AromaticContact CG-NE1 3.23Å; H42-W70 AromaticContact ND1-NE1 3.62Å; H42-W70 AromaticContact NE2-CZ2 3.55Å; H42-E88 IonicContact CD2-OE1 2.63Å; H42-E88 VanDerWaalsContact CE1-CD 3.41Å; H42-E88 IonicContact CE1-OE1 2.69Å; H42-E88 IonicContact CE1-OE2 3.2Å; H42-E88 PolarHBondContact CE1-OE2 3.2Å; H42-E88 VanDerWaalsContact NE2-CG 3.32Å; H42-E88 WeakPolarHBondContact NE2-CG 3.35Å; H42-E88 IonicContact NE2-OE1 2.68Å; H42-E88 PolarHBondContact NE2-OE1 3.42Å; H42-E88 IonicContact NE2-OE2 3.53Å; H42-E88 PolarHBondContact NE2-OE2 2.92Å
43	L	70.1	Confident	64.6	Low	89 Å²	89	80.4 Å²	80.4	47%	0.466	40%	0.403	S	S	.	.	H	α-helix	trans	-60.9	-46.1	-178.9	-168.6	68.8	0	0	0	111	E39 F45 R46 Q47	E39-L43 PolarHBondContact O-N 2.92Å; L43-F45 VanDerWaalsContact C-N 3.31Å; L43-F45 PolarHBondContact O-N 3.49Å; L43-R46 PolarHBondContact O-N 2.87Å; L43-Q47 HydrophobicContact CG-CG 4.49Å; L43-Q47 WeakPolarHBondContact O-CB 3.49Å; L43-Q47 WeakPolarHBondContact O-CG 3.45Å; L43-Q47 PolarHBondContact O-N 3.26Å
44	H	72.4	Confident	66.1	Low	103 Å²	103	81.5 Å²	81.5	48%	0.477	41%	0.411	S	S	.	.	H	α-helix	trans	-64.1	-32.7	174.7	-68.1	177.8	0	0	0	112.7	T40 H42 Q47 L48 L66	T40-H44 VanDerWaalsContact O-CB 3.32Å; T40-H44 WeakPolarHBondContact O-CB 3.26Å; T40-H44 PolarHBondContact O-N 3.2Å; H42-H44 PolarHBondContact O-N 3.44Å; H44-Q47 PolarHBondContact O-N 2.94Å; H44-L48 WeakPolarHBondContact O-CB 3.4Å; H44-L48 PolarHBondContact O-N 3.03Å; H44-L66 HydrophobicContact CB-CD1 4.15Å; H44-L66 HydrophobicContact CB-CD2 3.96Å
45	F	79.4	Confident	67.4	Low	61 Å²	61	78.9 Å²	78.9	27%	0.268	40%	0.396	S	S	.	.	H	α-helix	trans	-64.9	-39.7	173.5	-179.5	-101.8	0	0	0	112.1	S41 H42 L43 L63 L66 C67 W70	S41-F45 WeakPolarHBondContact O-CB 3.5Å; S41-F45 PolarHBondContact O-N 3.21Å; S41-F45 VanDerWaalsContact O-N 3.07Å; H42-F45 WeakPolarHBondContact O-CB 3.34Å; H42-F45 PolarHBondContact O-N 3.32Å; H42-F45 VanDerWaalsContact O-N 3.07Å; L43-F45 VanDerWaalsContact C-N 3.31Å; L43-F45 PolarHBondContact O-N 3.49Å; F45-L63 HydrophobicContact CD2-CD2 3.82Å; F45-L63 HydrophobicContact CE2-CB 4.18Å; F45-L63 HydrophobicContact CE2-CD2 3.77Å; F45-L63 WeakPolarHBondContact CE2-O 3.48Å; F45-L66 HydrophobicContact CB-CB 4.04Å; F45-L66 HydrophobicContact CD2-CB 4.14Å; F45-C67 HydrophobicContact CD2-CB 4.04Å; F45-C67 HydrophobicContact CE2-CB 3.72Å; F45-C67 HydrophobicContact CZ-CB 4.34Å; F45-W70 HydrophobicContact CD1-CE3 4.24Å; F45-W70 HydrophobicContact CD1-CZ3 4.25Å; F45-W70 HydrophobicContact CE1-CE3 4.43Å; F45-W70 HydrophobicContact CE1-CZ3 4.11Å
46	R	71.1	Confident	68	Low	103 Å²	103	79.8 Å²	79.8	39%	0.389	40%	0.4	S	S	.	.	H	α-helix	trans	-73.1	-31.9	176	-64	-172.5	75.1	142.4	-2	113.3	H42 L43 E88	H42-R46 WeakPolarHBondContact NE2-CD 3.3Å; H42-R46 PolarHBondContact O-N 2.79Å; L43-R46 PolarHBondContact O-N 2.87Å; R46-E88 WeakPolarHBondContact CD-OE1 3.49Å; R46-E88 WeakPolarHBondContact CG-OE1 3.45Å; R46-E88 IonicContact CZ-OE1 2.95Å; R46-E88 IonicContact CZ-OE2 3.05Å; R46-E88 IonicContact NE-OE1 3.69Å; R46-E88 PolarHBondContact NE-OE1 3.35Å; R46-E88 IonicContact NH1-OE1 3.98Å; R46-E88 PolarHBondContact NH1-OE1 2.93Å; R46-E88 IonicContact NH1-OE2 3.69Å; R46-E88 PolarHBondContact NH1-OE2 2.83Å
47	Q	70.1	Confident	68.7	Low	112 Å²	112	84.9 Å²	84.9	52%	0.523	42%	0.417	S	S	.	.	H	α-helix	trans	-95.1	-20	-171.3	-70.5	-179.2	-11.2	0	0	115.1	L43 H44 R49	L43-Q47 HydrophobicContact CG-CG 4.49Å; L43-Q47 WeakPolarHBondContact O-CB 3.49Å; L43-Q47 WeakPolarHBondContact O-CG 3.45Å; L43-Q47 PolarHBondContact O-N 3.26Å; H44-Q47 PolarHBondContact O-N 2.94Å; Q47-R49 VanDerWaalsContact O-CG 3.28Å; Q47-R49 WeakPolarHBondContact O-CG 3.41Å; Q47-R49 PolarHBondContact O-N 3.37Å
48	L	73.6	Confident	69.7	Low	44 Å²	44	83.7 Å²	83.7	23%	0.23	41%	0.406	C	S	.	.			trans	-53.1	111.5	-176.2	-175.8	78.9	0	0	0	112.3	H44 T53 R62 L63	H44-L48 WeakPolarHBondContact O-CB 3.4Å; H44-L48 PolarHBondContact O-N 3.03Å; L48-T53 HydrophobicContact CD1-CG2 4.45Å; L48-R62 HydrophobicContact CD2-CB 4.13Å; L48-L63 HydrophobicContact CB-CD2 4.43Å; L48-L63 HydrophobicContact CD2-CD2 3.69Å; L48-L63 HydrophobicContact CD2-CG 3.7Å
49	R	73.4	Confident	70.3	Confident	170 Å²	170	81.9 Å²	81.9	64%	0.642	40%	0.401	S	S	*	.			trans	-95.1	140.3	179.4	-52.2	-171.1	178.8	-166.4	2	110.5	Q47 H51 E52	Q47-R49 VanDerWaalsContact O-CG 3.28Å; Q47-R49 WeakPolarHBondContact O-CG 3.41Å; Q47-R49 PolarHBondContact O-N 3.37Å; R49-H51 WeakPolarHBondContact CB-ND1 3.39Å; R49-H51 PolarHBondContact O-N 3.01Å; R49-E52 WeakPolarHBondContact CB-OE1 3.47Å; R49-E52 WeakPolarHBondContact CG-OE1 3.44Å; R49-E52 PolarHBondContact N-OE2 3.29Å; R49-E52 WeakPolarHBondContact O-CB 3.36Å; R49-E52 PolarHBondContact O-N 2.84Å
50	Y	65.6	Low	70.8	Confident	153 Å²	153	82.6 Å²	82.6	60%	0.6	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-51.3	-34.4	-175.7	-175.2	-98.1	0	0	0	114.4	E52 T53 P56 A59	Y50-E52 VanDerWaalsContact C-N 3.25Å; Y50-E52 PolarHBondContact O-N 2.75Å; Y50-T53 PolarHBondContact O-N 3.34Å; Y50-T53 PolarHBondContact O-OG1 2.91Å; Y50-P56 HydrophobicContact CE2-CB 3.98Å; Y50-P56 WeakPolarHBondContact OH-CD 3.42Å; Y50-A59 HydrophobicContact CD2-CB 4.37Å
51	H	66.5	Low	71.4	Confident	145 Å²	145	82.5 Å²	82.5	67%	0.671	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-69.3	-12.9	179	71	-7.3	0	0	0	115.4	R49 T53	R49-H51 WeakPolarHBondContact CB-ND1 3.39Å; R49-H51 PolarHBondContact O-N 3.01Å; H51-T53 PolarHBondContact O-N 3.09Å
52	E	66.3	Low	71.7	Confident	87 Å²	87	86.6 Å²	86.6	41%	0.407	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-83.7	10.2	176.9	-68.2	142.7	-157.7	0	0	112.5	R49 Y50 R62	R49-E52 WeakPolarHBondContact CB-OE1 3.47Å; R49-E52 WeakPolarHBondContact CG-OE1 3.44Å; R49-E52 PolarHBondContact N-OE2 3.29Å; R49-E52 WeakPolarHBondContact O-CB 3.36Å; R49-E52 PolarHBondContact O-N 2.84Å; Y50-E52 VanDerWaalsContact C-N 3.25Å; Y50-E52 PolarHBondContact O-N 2.75Å; E52-R62 PolarHBondContact O-NH1 3.26Å
53	T	75.7	Confident	71.9	Confident	19 Å²	19	87.7 Å²	87.7	12%	0.117	43%	0.43	C	S	.	.	S	Bend	trans	-132.7	143.8	-168.8	76.3	0	0	0	0	110.9	L48 Y50 H51 G55 A59	L48-T53 HydrophobicContact CD1-CG2 4.45Å; Y50-T53 PolarHBondContact O-N 3.34Å; Y50-T53 PolarHBondContact O-OG1 2.91Å; H51-T53 PolarHBondContact O-N 3.09Å; T53-G55 PolarHBondContact O-N 3.39Å; T53-A59 HydrophobicContact CG2-CB 3.95Å
54	S	70.3	Confident	72.3	Confident	115 Å²	115	90.7 Å²	90.7	80%	0.804	44%	0.435	S	S	*	.	S	Bend	trans	-73.7	3.5	-176.3	-33.9	0	0	0	0	113.5	E58	S54-E58 WeakPolarHBondContact CB-OE2 3.45Å; S54-E58 PolarHBondContact N-OE2 2.93Å; S54-E58 PolarHBondContact OG-OE2 3.46Å
55	G	72.8	Confident	72.7	Confident	19 Å²	19	88.7 Å²	88.7	20%	0.196	43%	0.426	C	S	.	.	S	Bend	trans	153	169	-179.4	0	0	0	0	0	113.4	T53 Q57 E58 A59	T53-G55 PolarHBondContact O-N 3.39Å; G55-Q57 PolarHBondContact O-N 3.25Å; G55-Q57 VanDerWaalsContact O-N 3.14Å; G55-E58 PolarHBondContact O-N 3.11Å; G55-A59 PolarHBondContact O-N 3.04Å
56	P	58.4	Low	72.7	Confident	83 Å²	83	87.1 Å²	87.1	54%	0.539	42%	0.42	S	S	.	.	H	α-helix	trans	-64.7	-26.6	-169.2	25.5	-33.6	0	0	0	113.5	Y50 L60	Y50-P56 HydrophobicContact CE2-CB 3.98Å; Y50-P56 WeakPolarHBondContact OH-CD 3.42Å; P56-L60 WeakPolarHBondContact O-CB 3.39Å; P56-L60 PolarHBondContact O-N 3.04Å
57	Q	65.4	Low	73.2	Confident	164 Å²	164	84 Å²	84	77%	0.766	41%	0.414	S	S	*	.	H	α-helix	trans	-78.3	-27	177.9	-167.9	158.4	-44.8	0	0	112.4	G55 S61	G55-Q57 PolarHBondContact O-N 3.25Å; G55-Q57 VanDerWaalsContact O-N 3.14Å; Q57-S61 WeakPolarHBondContact O-CB 3.41Å; Q57-S61 PolarHBondContact O-N 3.26Å; Q57-S61 PolarHBondContact O-OG 3.27Å
58	E	75.3	Confident	73.5	Confident	62 Å²	62	84.9 Å²	84.9	29%	0.29	41%	0.412	S	S	.	.	H	α-helix	trans	-75.6	-45	169.7	-165.9	-174.2	179	0	0	110.5	S54 G55 L60 S61 R62	S54-E58 WeakPolarHBondContact CB-OE2 3.45Å; S54-E58 PolarHBondContact N-OE2 2.93Å; S54-E58 PolarHBondContact OG-OE2 3.46Å; G55-E58 PolarHBondContact O-N 3.11Å; E58-L60 VanDerWaalsContact C-N 3.34Å; E58-L60 PolarHBondContact O-N 2.9Å; E58-S61 CarbonylContact O-C 3.54Å; E58-S61 WeakPolarHBondContact O-CA 3.26Å; E58-S61 WeakPolarHBondContact O-CB 3.28Å; E58-S61 PolarHBondContact O-N 3.39Å; E58-R62 HydrophobicContact CG-CG 4.34Å; E58-R62 PolarHBondContact O-N 3.3Å; E58-R62 IonicContact OE1-CZ 3.71Å; E58-R62 IonicContact OE1-NE 3.27Å; E58-R62 PolarHBondContact OE1-NE 3.24Å; E58-R62 IonicContact OE1-NH2 2.69Å; E58-R62 PolarHBondContact OE1-NH2 2.88Å; E58-R62 IonicContact OE2-NH2 3.45Å
59	A	76.8	Confident	73.7	Confident	10 Å²	10	89.2 Å²	89.2	8%	0.083	43%	0.426	C	S	.	.	H	α-helix	trans	-51.9	-50.7	174.4	0	0	0	0	0	112.1	Y50 T53 G55 S61 R62 L63	Y50-A59 HydrophobicContact CD2-CB 4.37Å; T53-A59 HydrophobicContact CG2-CB 3.95Å; G55-A59 PolarHBondContact O-N 3.04Å; A59-S61 PolarHBondContact O-N 2.98Å; A59-R62 PolarHBondContact O-N 2.97Å; A59-L63 WeakPolarHBondContact O-CB 3.21Å; A59-L63 VanDerWaalsContact O-CG 3.31Å; A59-L63 WeakPolarHBondContact O-CG 3.26Å; A59-L63 PolarHBondContact O-N 2.88Å
60	L	71	Confident	74	Confident	83 Å²	83	81.4 Å²	81.4	44%	0.435	40%	0.396	S	S	.	.	H	α-helix	trans	-62.5	-30.8	176.8	-177.8	60.3	0	0	0	112.9	P56 E58 R64	P56-L60 WeakPolarHBondContact O-CB 3.39Å; P56-L60 PolarHBondContact O-N 3.04Å; E58-L60 VanDerWaalsContact C-N 3.34Å; E58-L60 PolarHBondContact O-N 2.9Å; L60-R64 WeakPolarHBondContact O-CB 3.48Å; L60-R64 WeakPolarHBondContact O-CD 3.47Å; L60-R64 WeakPolarHBondContact O-CG 3.49Å; L60-R64 PolarHBondContact O-N 2.92Å; L60-R64 VanDerWaalsContact O-N 3.15Å
61	S	79.4	Confident	74.6	Confident	67 Å²	67	75 Å²	75	47%	0.469	37%	0.372	S	S	.	.	H	α-helix	trans	-75.9	-43.8	178.4	-59.3	0	0	0	0	111.8	Q57 E58 A59 R64 E65	Q57-S61 WeakPolarHBondContact O-CB 3.41Å; Q57-S61 PolarHBondContact O-N 3.26Å; Q57-S61 PolarHBondContact O-OG 3.27Å; E58-S61 CarbonylContact O-C 3.54Å; E58-S61 WeakPolarHBondContact O-CA 3.26Å; E58-S61 WeakPolarHBondContact O-CB 3.28Å; E58-S61 PolarHBondContact O-N 3.39Å; A59-S61 PolarHBondContact O-N 2.98Å; S61-R64 PolarHBondContact O-N 3.26Å; S61-E65 PolarHBondContact O-N 2.98Å; S61-E65 VanDerWaalsContact O-N 3.1Å
62	R	77.8	Confident	75	Confident	94 Å²	94	73 Å²	73	36%	0.355	36%	0.359	S	S	.	.	H	α-helix	trans	-62.4	-45.7	173.5	-67.6	-174.3	-174.2	-177.8	6.8	111.3	L48 E52 E58 A59 R64 E65 L66	L48-R62 HydrophobicContact CD2-CB 4.13Å; E52-R62 PolarHBondContact O-NH1 3.26Å; E58-R62 HydrophobicContact CG-CG 4.34Å; E58-R62 PolarHBondContact O-N 3.3Å; E58-R62 IonicContact OE1-CZ 3.71Å; E58-R62 IonicContact OE1-NE 3.27Å; E58-R62 PolarHBondContact OE1-NE 3.24Å; E58-R62 IonicContact OE1-NH2 2.69Å; E58-R62 PolarHBondContact OE1-NH2 2.88Å; E58-R62 IonicContact OE2-NH2 3.45Å; A59-R62 PolarHBondContact O-N 2.97Å; R62-R64 PolarHBondContact O-N 3.44Å; R62-E65 PolarHBondContact O-N 3.35Å; R62-L66 WeakPolarHBondContact O-CG 3.31Å; R62-L66 PolarHBondContact O-N 2.85Å
63	L	78.3	Confident	75.4	Confident	58 Å²	58	71.8 Å²	71.8	30%	0.304	36%	0.358	S	S	.	.	H	α-helix	trans	-58	-43.9	175.3	-75.1	172.2	0	0	0	112.5	F45 L48 A59 E65 C67	F45-L63 HydrophobicContact CD2-CD2 3.82Å; F45-L63 HydrophobicContact CE2-CB 4.18Å; F45-L63 HydrophobicContact CE2-CD2 3.77Å; F45-L63 WeakPolarHBondContact CE2-O 3.48Å; L48-L63 HydrophobicContact CB-CD2 4.43Å; L48-L63 HydrophobicContact CD2-CD2 3.69Å; L48-L63 HydrophobicContact CD2-CG 3.7Å; A59-L63 WeakPolarHBondContact O-CB 3.21Å; A59-L63 VanDerWaalsContact O-CG 3.31Å; A59-L63 WeakPolarHBondContact O-CG 3.26Å; A59-L63 PolarHBondContact O-N 2.88Å; L63-E65 VanDerWaalsContact C-N 3.32Å; L63-E65 PolarHBondContact O-N 3.17Å; L63-C67 WeakPolarHBondContact O-CB 3.36Å; L63-C67 PolarHBondContact O-N 2.84Å
64	R	79.5	Confident	75.5	Confident	152 Å²	152	78 Å²	78	57%	0.574	39%	0.386	S	S	*	.	H	α-helix	trans	-64	-36.4	177.2	-78.5	169.4	175	-178	-2.1	112.8	L60 S61 R62 R68	L60-R64 WeakPolarHBondContact O-CB 3.48Å; L60-R64 WeakPolarHBondContact O-CD 3.47Å; L60-R64 WeakPolarHBondContact O-CG 3.49Å; L60-R64 PolarHBondContact O-N 2.92Å; L60-R64 VanDerWaalsContact O-N 3.15Å; S61-R64 PolarHBondContact O-N 3.26Å; R62-R64 PolarHBondContact O-N 3.44Å; R64-R68 WeakPolarHBondContact O-CG 3.44Å; R64-R68 PolarHBondContact O-N 3.12Å; R64-R68 VanDerWaalsContact O-N 3.11Å
65	E	79.7	Confident	75.2	Confident	61 Å²	61	76.3 Å²	76.3	29%	0.285	38%	0.379	S	S	.	.	H	α-helix	trans	-72.8	-46	179	-176.6	58.5	-167.4	0	0	112	S61 R62 L63 C67 R68 R69	S61-E65 PolarHBondContact O-N 2.98Å; S61-E65 VanDerWaalsContact O-N 3.1Å; R62-E65 PolarHBondContact O-N 3.35Å; L63-E65 VanDerWaalsContact C-N 3.32Å; L63-E65 PolarHBondContact O-N 3.17Å; E65-C67 PolarHBondContact O-N 2.89Å; E65-R68 PolarHBondContact O-N 3.41Å; E65-R68 IonicContact OE2-CZ 3.14Å; E65-R68 IonicContact OE2-NE 3.93Å; E65-R68 PolarHBondContact OE2-NE 3.36Å; E65-R68 IonicContact OE2-NH2 3.42Å; E65-R68 PolarHBondContact OE2-NH2 2.95Å; E65-R69 WeakPolarHBondContact O-CG 3.15Å; E65-R69 PolarHBondContact O-N 3.14Å; E65-R69 IonicContact OE1-CZ 3.85Å; E65-R69 IonicContact OE1-NE 3.16Å; E65-R69 PolarHBondContact OE1-NE 3.07Å; E65-R69 IonicContact OE1-NH2 3.67Å; E65-R69 PolarHBondContact OE1-NH2 3.22Å
66	L	80.3	Confident	75.4	Confident	29 Å²	29	78.8 Å²	78.8	15%	0.152	38%	0.382	C	S	.	.	H	α-helix	trans	-60.9	-43.6	174.1	-67.7	168.3	0	0	0	111.5	H44 F45 R62 R68 R69 W70	H44-L66 HydrophobicContact CB-CD1 4.15Å; H44-L66 HydrophobicContact CB-CD2 3.96Å; F45-L66 HydrophobicContact CB-CB 4.04Å; F45-L66 HydrophobicContact CD2-CB 4.14Å; R62-L66 WeakPolarHBondContact O-CG 3.31Å; R62-L66 PolarHBondContact O-N 2.85Å; L66-R68 PolarHBondContact O-N 3.49Å; L66-R69 PolarHBondContact O-N 3.48Å; L66-W70 WeakPolarHBondContact O-CB 3.39Å; L66-W70 PolarHBondContact O-N 3.49Å
67	C	80.3	Confident	76.4	Confident	37 Å²	37	78.6 Å²	78.6	25%	0.25	38%	0.38	C	S	.	.	H	α-helix	trans	-60.4	-39	176	-174.8	0	0	0	0	112.7	F45 L63 E65 L71	F45-C67 HydrophobicContact CD2-CB 4.04Å; F45-C67 HydrophobicContact CE2-CB 3.72Å; F45-C67 HydrophobicContact CZ-CB 4.34Å; L63-C67 WeakPolarHBondContact O-CB 3.36Å; L63-C67 PolarHBondContact O-N 2.84Å; E65-C67 PolarHBondContact O-N 2.89Å; C67-L71 WeakPolarHBondContact O-CB 3.46Å; C67-L71 PolarHBondContact O-N 3.18Å
68	R	77.9	Confident	76.7	Confident	130 Å²	130	79.4 Å²	79.4	49%	0.491	38%	0.381	S	S	.	.	H	α-helix	trans	-66.5	-44	173.1	-78.6	-171.9	-64.2	-137.8	2.2	112.4	R64 E65 L66 W70 R72	R64-R68 WeakPolarHBondContact O-CG 3.44Å; R64-R68 PolarHBondContact O-N 3.12Å; R64-R68 VanDerWaalsContact O-N 3.11Å; E65-R68 PolarHBondContact O-N 3.41Å; E65-R68 IonicContact OE2-CZ 3.14Å; E65-R68 IonicContact OE2-NE 3.93Å; E65-R68 PolarHBondContact OE2-NE 3.36Å; E65-R68 IonicContact OE2-NH2 3.42Å; E65-R68 PolarHBondContact OE2-NH2 2.95Å; L66-R68 PolarHBondContact O-N 3.49Å; R68-W70 VanDerWaalsContact C-N 3.29Å; R68-W70 PolarHBondContact O-N 3.3Å; R68-R72 VanDerWaalsContact O-CA 3.32Å; R68-R72 WeakPolarHBondContact O-CA 3.48Å; R68-R72 PolarHBondContact O-N 3.33Å
69	R	76.4	Confident	76.8	Confident	135 Å²	135	79.3 Å²	79.3	51%	0.509	39%	0.391	S	S	.	.	H	α-helix	trans	-66	-32.4	178.7	-67	175.2	-171.9	-154.8	0.6	112.7	S41 E65 L66 R72	S41-R69 WeakPolarHBondContact OG-CB 3.39Å; E65-R69 WeakPolarHBondContact O-CG 3.15Å; E65-R69 PolarHBondContact O-N 3.14Å; E65-R69 IonicContact OE1-CZ 3.85Å; E65-R69 IonicContact OE1-NE 3.16Å; E65-R69 PolarHBondContact OE1-NE 3.07Å; E65-R69 IonicContact OE1-NH2 3.67Å; E65-R69 PolarHBondContact OE1-NH2 3.22Å; L66-R69 PolarHBondContact O-N 3.48Å; R69-R72 WeakPolarHBondContact O-CG 3.48Å
70	W	79.7	Confident	76.7	Confident	7 Å²	7	83.8 Å²	83.8	3%	0.027	41%	0.41	C	S	.	.	H	α-helix	trans	-70	-62.4	171.6	175.9	47.1	0	0	0	111.9	W38 H42 F45 L66 R68 R72 R76 L85 E88	W38-W70 AromaticContact CE3-CD1 3.41Å; W38-W70 VanDerWaalsContact CE3-CD1 3.41Å; W38-W70 HydrophobicContact CE3-CG 4.44Å; W38-W70 AromaticContact CE3-NE1 3.96Å; W38-W70 AromaticContact CH2-NE1 3.73Å; W38-W70 AromaticContact CZ3-CD1 3.17Å; W38-W70 HydrophobicContact CZ3-CG 4.28Å; W38-W70 AromaticContact CZ3-NE1 3.23Å; H42-W70 HydrophobicContact CB-CG 4.07Å; H42-W70 AromaticContact CD2-CD1 3.86Å; H42-W70 AromaticContact CD2-CD2 3.93Å; H42-W70 AromaticContact CD2-CE2 3.39Å; H42-W70 AromaticContact CD2-CZ2 3.72Å; H42-W70 AromaticContact CD2-NE1 3.32Å; H42-W70 PolarHBondContact CD2-NE1 3.37Å; H42-W70 VanDerWaalsContact CD2-NE1 3.32Å; H42-W70 AromaticContact CG-CD1 3.56Å; H42-W70 AromaticContact CG-CE2 3.82Å; H42-W70 AromaticContact CG-NE1 3.23Å; H42-W70 AromaticContact ND1-NE1 3.62Å; H42-W70 AromaticContact NE2-CZ2 3.55Å; F45-W70 HydrophobicContact CD1-CE3 4.24Å; F45-W70 HydrophobicContact CD1-CZ3 4.25Å; F45-W70 HydrophobicContact CE1-CE3 4.43Å; F45-W70 HydrophobicContact CE1-CZ3 4.11Å; L66-W70 WeakPolarHBondContact O-CB 3.39Å; L66-W70 PolarHBondContact O-N 3.49Å; R68-W70 VanDerWaalsContact C-N 3.29Å; R68-W70 PolarHBondContact O-N 3.3Å; W70-R72 VanDerWaalsContact C-N 3.32Å; W70-R72 PolarHBondContact O-N 3.01Å; W70-R76 PolarHBondContact O-NH1 2.93Å; W70-L85 HydrophobicContact CH2-CD2 3.69Å; W70-L85 HydrophobicContact CZ3-CD2 3.85Å; W70-E88 HydrophobicContact CH2-CB 4.17Å; W70-E88 HydrophobicContact CH2-CG 3.94Å; W70-E88 HydrophobicContact CZ2-CB 4.04Å; W70-E88 HydrophobicContact CZ2-CG 4.07Å
71	L	78.4	Confident	77.2	Confident	18 Å²	18	81.1 Å²	81.1	9%	0.094	40%	0.396	C	S	.	.	H	α-helix	trans	-75.3	-19.5	-172.3	-61.9	178.3	0	0	0	113.9	C67 R76 I81 L85	C67-L71 WeakPolarHBondContact O-CB 3.46Å; C67-L71 PolarHBondContact O-N 3.18Å; L71-R76 WeakPolarHBondContact O-CD 3.37Å; L71-I81 HydrophobicContact CB-CG2 4.36Å; L71-I81 HydrophobicContact CD1-CG2 4.14Å; L71-I81 HydrophobicContact CD2-CG2 4.4Å; L71-L85 HydrophobicContact CD1-CD1 4.46Å; L71-L85 HydrophobicContact CD1-CD2 4.29Å; L71-L85 HydrophobicContact CD2-CD2 4.19Å; L71-L85 HydrophobicContact CD2-CG 4.25Å
72	R	76.5	Confident	77.2	Confident	103 Å²	103	82.9 Å²	82.9	39%	0.389	40%	0.399	S	S	.	.			trans	42.1	57.5	-178.4	-56.1	-175.6	75.8	176.5	2.2	112.5	S34 R68 R69 W70 E74 A75 R76	S34-R72 PolarHBondContact OG-NH1 3.18Å; S34-R72 VanDerWaalsContact OG-NH1 3.11Å; R68-R72 VanDerWaalsContact O-CA 3.32Å; R68-R72 WeakPolarHBondContact O-CA 3.48Å; R68-R72 PolarHBondContact O-N 3.33Å; R69-R72 WeakPolarHBondContact O-CG 3.48Å; W70-R72 VanDerWaalsContact C-N 3.32Å; W70-R72 PolarHBondContact O-N 3.01Å; R72-E74 PolarHBondContact O-N 3.29Å; R72-A75 HydrophobicContact CB-CB 4.47Å; R72-A75 PolarHBondContact O-N 3.37Å; R72-R76 PolarHBondContact O-N 3.31Å
73	P	73.1	Confident	77.3	Confident	62 Å²	62	82.2 Å²	82.2	40%	0.403	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-9.2	-173.7	29.1	-36.7	0	0	0	114.7	I81	P73-I81 HydrophobicContact CB-CD1 3.95Å
74	E	77.6	Confident	77.4	Confident	149 Å²	149	80.2 Å²	80.2	70%	0.696	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-17.3	171.4	-53.9	74.8	-163.1	0	0	112.8	R72	R72-E74 PolarHBondContact O-N 3.29Å
75	A	65.4	Low	77.5	Confident	79 Å²	79	76.3 Å²	76.3	65%	0.653	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.1	-25	-173.9	0	0	0	0	0	114.6	R72	R72-A75 HydrophobicContact CB-CB 4.47Å; R72-A75 PolarHBondContact O-N 3.37Å
76	R	76.5	Confident	77.6	Confident	71 Å²	71	77.2 Å²	77.2	27%	0.268	39%	0.389	S	S	.	.	S	Bend	trans	-101.5	142.4	178.5	-73.5	172.3	167.8	156.3	-12	111.4	W38 W70 L71 R72 Q80 I81	W38-R76 VanDerWaalsContact CZ3-NH1 3.26Å; W70-R76 PolarHBondContact O-NH1 2.93Å; L71-R76 WeakPolarHBondContact O-CD 3.37Å; R72-R76 PolarHBondContact O-N 3.31Å; R76-Q80 HydrophobicContact CB-CB 4.33Å; R76-I81 HydrophobicContact CB-CD1 4.43Å; R76-I81 HydrophobicContact CB-CG1 3.86Å; R76-I81 WeakPolarHBondContact O-CD1 3.5Å
77	T	79.4	Confident	77.7	Confident	80 Å²	80	76.3 Å²	76.3	49%	0.491	39%	0.385	S	S	.	.			trans	-71.3	160.6	174.8	66.3	0	0	0	0	111.5	A79 Q80 I81	T77-A79 PolarHBondContact O-N 3.46Å; T77-Q80 PolarHBondContact O-N 3.19Å; T77-Q80 VanDerWaalsContact O-N 3.14Å; T77-Q80 VanDerWaalsContact OG1-CD 3.31Å; T77-Q80 WeakPolarHBondContact OG1-CG 3.5Å; T77-Q80 PolarHBondContact OG1-N 2.94Å; T77-Q80 PolarHBondContact OG1-OE1 3.33Å; T77-I81 WeakPolarHBondContact O-CG1 3.48Å; T77-I81 PolarHBondContact O-N 3.41Å
78	K	72.2	Confident	77.8	Confident	181 Å²	181	75.8 Å²	75.8	79%	0.787	38%	0.379	S	S	*	.	H	α-helix	trans	-59.6	-29.4	179.5	-68.1	-176.2	-179.9	178.6	0	114	L82	K78-L82 VanDerWaalsContact O-CG 3.3Å; K78-L82 WeakPolarHBondContact O-CG 3.47Å; K78-L82 PolarHBondContact O-N 2.69Å
79	A	77.1	Confident	78	Confident	60 Å²	60	75.2 Å²	75.2	50%	0.496	38%	0.382	S	S	.	.	H	α-helix	trans	-68.2	-53.7	173.3	0	0	0	0	0	110.4	T77 I81 L82 E83	T77-A79 PolarHBondContact O-N 3.46Å; A79-I81 PolarHBondContact O-N 3.31Å; A79-L82 WeakPolarHBondContact O-CA 3.39Å; A79-L82 WeakPolarHBondContact O-CB 3.46Å; A79-L82 PolarHBondContact O-N 2.96Å; A79-E83 PolarHBondContact O-N 2.87Å
80	Q	73.6	Confident	78.2	Confident	104 Å²	104	71.3 Å²	71.3	49%	0.486	37%	0.368	S	S	.	.	H	α-helix	trans	-58.2	-33.9	177.8	-68.6	160.3	-41.7	0	0	113.2	R76 T77 L84	R76-Q80 HydrophobicContact CB-CB 4.33Å; T77-Q80 PolarHBondContact O-N 3.19Å; T77-Q80 VanDerWaalsContact O-N 3.14Å; T77-Q80 VanDerWaalsContact OG1-CD 3.31Å; T77-Q80 WeakPolarHBondContact OG1-CG 3.5Å; T77-Q80 PolarHBondContact OG1-N 2.94Å; T77-Q80 PolarHBondContact OG1-OE1 3.33Å; Q80-L84 WeakPolarHBondContact O-CD1 3.35Å; Q80-L84 VanDerWaalsContact O-CG 3.24Å; Q80-L84 WeakPolarHBondContact O-CG 3.15Å; Q80-L84 PolarHBondContact O-N 3.05Å; Q80-L84 VanDerWaalsContact O-N 3.17Å
81	I	82.6	Confident	78	Confident	26 Å²	26	71.4 Å²	71.4	13%	0.133	37%	0.37	C	S	.	.	H	α-helix	trans	-68.3	-37.2	173.9	-64.2	163.2	0	0	0	111.5	L71 P73 R76 T77 A79 L85	L71-I81 HydrophobicContact CB-CG2 4.36Å; L71-I81 HydrophobicContact CD1-CG2 4.14Å; L71-I81 HydrophobicContact CD2-CG2 4.4Å; P73-I81 HydrophobicContact CB-CD1 3.95Å; R76-I81 HydrophobicContact CB-CD1 4.43Å; R76-I81 HydrophobicContact CB-CG1 3.86Å; R76-I81 WeakPolarHBondContact O-CD1 3.5Å; T77-I81 WeakPolarHBondContact O-CG1 3.48Å; T77-I81 PolarHBondContact O-N 3.41Å; A79-I81 PolarHBondContact O-N 3.31Å; I81-L85 HydrophobicContact CG2-CD1 4.27Å; I81-L85 WeakPolarHBondContact O-CD1 3.45Å; I81-L85 VanDerWaalsContact O-CG 3.31Å; I81-L85 WeakPolarHBondContact O-CG 3.3Å; I81-L85 PolarHBondContact O-N 2.82Å
82	L	78.9	Confident	77.9	Confident	104 Å²	104	72.3 Å²	72.3	55%	0.545	38%	0.377	S	S	.	.	H	α-helix	trans	-69.3	-43.9	175.6	-73.2	168.1	0	0	0	111.1	K78 A79 L84 L85 V86	K78-L82 VanDerWaalsContact O-CG 3.3Å; K78-L82 WeakPolarHBondContact O-CG 3.47Å; K78-L82 PolarHBondContact O-N 2.69Å; A79-L82 WeakPolarHBondContact O-CA 3.39Å; A79-L82 WeakPolarHBondContact O-CB 3.46Å; A79-L82 PolarHBondContact O-N 2.96Å; L82-L84 VanDerWaalsContact C-N 3.31Å; L82-L84 PolarHBondContact O-N 3.04Å; L82-L85 CarbonylContact O-C 3.49Å; L82-L85 WeakPolarHBondContact O-CA 3.41Å; L82-L85 WeakPolarHBondContact O-CB 3.39Å; L82-L85 PolarHBondContact O-N 3.45Å; L82-V86 WeakPolarHBondContact O-CG2 3.29Å; L82-V86 PolarHBondContact O-N 3.18Å
83	E	81	Confident	78	Confident	80 Å²	80	73.1 Å²	73.1	37%	0.374	39%	0.388	S	S	.	.	H	α-helix	trans	-62.3	-37.3	178.4	-59.3	-39.8	134.2	0	0	112.6	A79 L85 V86 L87	A79-E83 PolarHBondContact O-N 2.87Å; E83-L85 VanDerWaalsContact C-N 3.29Å; E83-L85 PolarHBondContact O-N 3.25Å; E83-V86 PolarHBondContact O-N 3.06Å; E83-L87 VanDerWaalsContact O-CB 3.23Å; E83-L87 WeakPolarHBondContact O-CB 3.37Å; E83-L87 PolarHBondContact O-N 3.48Å
84	L	80.4	Confident	78.2	Confident	16 Å²	16	71 Å²	71	8%	0.084	37%	0.373	C	S	.	.	H	α-helix	trans	-66.6	-29.9	174	-67.9	168	0	0	0	113.2	W38 Q80 L82 E88	W38-L84 HydrophobicContact CH2-CD2 3.93Å; W38-L84 HydrophobicContact CZ3-CD1 4.41Å; Q80-L84 WeakPolarHBondContact O-CD1 3.35Å; Q80-L84 VanDerWaalsContact O-CG 3.24Å; Q80-L84 WeakPolarHBondContact O-CG 3.15Å; Q80-L84 PolarHBondContact O-N 3.05Å; Q80-L84 VanDerWaalsContact O-N 3.17Å; L82-L84 VanDerWaalsContact C-N 3.31Å; L82-L84 PolarHBondContact O-N 3.04Å; L84-E88 WeakPolarHBondContact O-CB 3.26Å; L84-E88 PolarHBondContact O-N 2.88Å; L84-E88 VanDerWaalsContact O-N 3.09Å
85	L	81.7	Confident	78.1	Confident	70 Å²	70	67.2 Å²	67.2	37%	0.366	36%	0.362	S	S	.	.	H	α-helix	trans	-77.2	-34.6	173.4	-70	167.2	0	0	0	112	W70 L71 I81 L82 E83 Q89	W70-L85 HydrophobicContact CH2-CD2 3.69Å; W70-L85 HydrophobicContact CZ3-CD2 3.85Å; L71-L85 HydrophobicContact CD1-CD1 4.46Å; L71-L85 HydrophobicContact CD1-CD2 4.29Å; L71-L85 HydrophobicContact CD2-CD2 4.19Å; L71-L85 HydrophobicContact CD2-CG 4.25Å; I81-L85 HydrophobicContact CG2-CD1 4.27Å; I81-L85 WeakPolarHBondContact O-CD1 3.45Å; I81-L85 VanDerWaalsContact O-CG 3.31Å; I81-L85 WeakPolarHBondContact O-CG 3.3Å; I81-L85 PolarHBondContact O-N 2.82Å; L82-L85 CarbonylContact O-C 3.49Å; L82-L85 WeakPolarHBondContact O-CA 3.41Å; L82-L85 WeakPolarHBondContact O-CB 3.39Å; L82-L85 PolarHBondContact O-N 3.45Å; E83-L85 VanDerWaalsContact C-N 3.29Å; E83-L85 PolarHBondContact O-N 3.25Å; L85-Q89 WeakPolarHBondContact O-CB 3.33Å; L85-Q89 PolarHBondContact O-N 3.34Å
86	V	81.8	Confident	78.4	Confident	80 Å²	80	65.3 Å²	65.3	49%	0.485	35%	0.349	S	S	.	.	H	α-helix	trans	-67.9	-46	173.7	170.5	0	0	0	0	110.3	L82 E83 Q89 F90	L82-V86 WeakPolarHBondContact O-CG2 3.29Å; L82-V86 PolarHBondContact O-N 3.18Å; E83-V86 PolarHBondContact O-N 3.06Å; V86-Q89 CarbonylContact O-C 3.49Å; V86-Q89 PolarHBondContact O-N 3.1Å; V86-F90 WeakPolarHBondContact O-CB 3.19Å; V86-F90 PolarHBondContact O-N 3.23Å
87	L	82.6	Confident	78.2	Confident	11 Å²	11	68.9 Å²	68.9	6%	0.058	37%	0.369	C	S	.	.	H	α-helix	trans	-57.7	-49.6	173.7	172.4	59	0	0	0	111.7	E83 Q89 F90 L91 P107 A113	E83-L87 VanDerWaalsContact O-CB 3.23Å; E83-L87 WeakPolarHBondContact O-CB 3.37Å; E83-L87 PolarHBondContact O-N 3.48Å; L87-Q89 VanDerWaalsContact C-N 3.29Å; L87-Q89 PolarHBondContact O-N 3.33Å; L87-F90 WeakPolarHBondContact O-CB 3.31Å; L87-F90 PolarHBondContact O-N 2.89Å; L87-F90 VanDerWaalsContact O-N 3.15Å; L87-L91 HydrophobicContact CD1-CD1 3.98Å; L87-L91 HydrophobicContact CD1-CD2 4.43Å; L87-L91 HydrophobicContact CD1-CG 3.96Å; L87-L91 HydrophobicContact CG-CD1 4.18Å; L87-L91 WeakPolarHBondContact O-CG 3.23Å; L87-L91 PolarHBondContact O-N 2.89Å; L87-P107 HydrophobicContact CD1-CG 4.31Å; L87-P107 WeakPolarHBondContact CD2-O 3.4Å; L87-A113 HydrophobicContact CD1-CB 3.45Å; L87-A113 VanDerWaalsContact CD1-CB 3.45Å
88	E	82.2	Confident	78	Confident	26 Å²	26	66.8 Å²	66.8	12%	0.121	35%	0.354	C	S	.	.	H	α-helix	trans	-58	-42.2	175.7	172.4	70.6	157	0	0	112.1	H42 R46 W70 L84 S92	H42-E88 IonicContact CD2-OE1 2.63Å; H42-E88 VanDerWaalsContact CE1-CD 3.41Å; H42-E88 IonicContact CE1-OE1 2.69Å; H42-E88 IonicContact CE1-OE2 3.2Å; H42-E88 PolarHBondContact CE1-OE2 3.2Å; H42-E88 VanDerWaalsContact NE2-CG 3.32Å; H42-E88 WeakPolarHBondContact NE2-CG 3.35Å; H42-E88 IonicContact NE2-OE1 2.68Å; H42-E88 PolarHBondContact NE2-OE1 3.42Å; H42-E88 IonicContact NE2-OE2 3.53Å; H42-E88 PolarHBondContact NE2-OE2 2.92Å; R46-E88 WeakPolarHBondContact CD-OE1 3.49Å; R46-E88 WeakPolarHBondContact CG-OE1 3.45Å; R46-E88 IonicContact CZ-OE1 2.95Å; R46-E88 IonicContact CZ-OE2 3.05Å; R46-E88 IonicContact NE-OE1 3.69Å; R46-E88 PolarHBondContact NE-OE1 3.35Å; R46-E88 IonicContact NH1-OE1 3.98Å; R46-E88 PolarHBondContact NH1-OE1 2.93Å; R46-E88 IonicContact NH1-OE2 3.69Å; R46-E88 PolarHBondContact NH1-OE2 2.83Å; W70-E88 HydrophobicContact CH2-CB 4.17Å; W70-E88 HydrophobicContact CH2-CG 3.94Å; W70-E88 HydrophobicContact CZ2-CB 4.04Å; W70-E88 HydrophobicContact CZ2-CG 4.07Å; L84-E88 WeakPolarHBondContact O-CB 3.26Å; L84-E88 PolarHBondContact O-N 2.88Å; L84-E88 VanDerWaalsContact O-N 3.09Å; E88-S92 WeakPolarHBondContact O-CB 3.33Å; E88-S92 PolarHBondContact O-N 3.3Å
89	Q	81.3	Confident	78.2	Confident	118 Å²	118	61.4 Å²	61.4	55%	0.551	33%	0.329	S	S	*	.	H	α-helix	trans	-68.1	-36.8	176.9	-176.6	56.7	73	0	0	111.8	L85 V86 L87 S92 I93	L85-Q89 WeakPolarHBondContact O-CB 3.33Å; L85-Q89 PolarHBondContact O-N 3.34Å; V86-Q89 CarbonylContact O-C 3.49Å; V86-Q89 PolarHBondContact O-N 3.1Å; L87-Q89 VanDerWaalsContact C-N 3.29Å; L87-Q89 PolarHBondContact O-N 3.33Å; Q89-S92 PolarHBondContact NE2-OG 3.33Å; Q89-S92 PolarHBondContact O-N 3.41Å; Q89-S92 PolarHBondContact O-OG 2.81Å; Q89-I93 PolarHBondContact O-N 2.96Å
90	F	79.6	Confident	78	Confident	52 Å²	52	63 Å²	63	23%	0.228	33%	0.333	C	S	.	.	H	α-helix	trans	-65.6	-51.1	175.5	-178.6	-107.4	0	0	0	111.4	V86 L87 S92 I93 L94 A113 V114 V117	V86-F90 WeakPolarHBondContact O-CB 3.19Å; V86-F90 PolarHBondContact O-N 3.23Å; L87-F90 WeakPolarHBondContact O-CB 3.31Å; L87-F90 PolarHBondContact O-N 2.89Å; L87-F90 VanDerWaalsContact O-N 3.15Å; F90-S92 PolarHBondContact O-N 2.91Å; F90-S92 VanDerWaalsContact O-N 3.14Å; F90-I93 HydrophobicContact CD2-CD1 4.37Å; F90-I93 WeakPolarHBondContact O-CG1 3.22Å; F90-I93 PolarHBondContact O-N 3.08Å; F90-L94 HydrophobicContact CD1-CD1 4.32Å; F90-L94 HydrophobicContact CE1-CD1 3.98Å; F90-L94 HydrophobicContact CE1-CD2 4.28Å; F90-L94 HydrophobicContact CE1-CG 4.35Å; F90-L94 HydrophobicContact CE2-CD2 4.48Å; F90-L94 HydrophobicContact CZ-CD2 4.01Å; F90-L94 PolarHBondContact O-N 3Å; F90-A113 HydrophobicContact CD1-CB 3.93Å; F90-A113 HydrophobicContact CE1-CB 3.95Å; F90-V114 HydrophobicContact CE1-CG2 3.95Å; F90-V114 HydrophobicContact CE2-CG2 4.03Å; F90-V114 HydrophobicContact CZ-CG2 3.57Å; F90-V117 HydrophobicContact CE1-CG2 4.39Å; F90-V117 HydrophobicContact CZ-CG2 4.48Å
91	L	76	Confident	78	Confident	10 Å²	10	61.3 Å²	61.3	5%	0.052	32%	0.322	C	S	.	.	H	α-helix	trans	-57.3	-31.2	173.4	-64.8	174.7	0	0	0	111.9	L87 I93 L94 R99 V102 Q103	L87-L91 HydrophobicContact CD1-CD1 3.98Å; L87-L91 HydrophobicContact CD1-CD2 4.43Å; L87-L91 HydrophobicContact CD1-CG 3.96Å; L87-L91 HydrophobicContact CG-CD1 4.18Å; L87-L91 WeakPolarHBondContact O-CG 3.23Å; L87-L91 PolarHBondContact O-N 2.89Å; L91-I93 VanDerWaalsContact C-N 3.34Å; L91-I93 PolarHBondContact O-N 3.47Å; L91-L94 HydrophobicContact CD2-CD1 4.16Å; L91-R99 WeakPolarHBondContact O-CD 3.47Å; L91-R99 VanDerWaalsContact O-CG 3.31Å; L91-R99 WeakPolarHBondContact O-CG 3.15Å; L91-R99 PolarHBondContact O-NE 3.32Å; L91-R99 VanDerWaalsContact O-NE 3.08Å; L91-V102 HydrophobicContact CD2-CB 4.23Å; L91-V102 HydrophobicContact CD2-CG1 3.6Å; L91-Q103 HydrophobicContact CD1-CG 4.23Å; L91-Q103 HydrophobicContact CD2-CG 4.33Å
92	S	76.2	Confident	77.7	Confident	37 Å²	37	60.1 Å²	60.1	26%	0.259	32%	0.316	S	S	.	.	H	α-helix	trans	-73.8	-16.4	177.2	84.2	0	0	0	0	115.4	E88 Q89 F90 R99	E88-S92 WeakPolarHBondContact O-CB 3.33Å; E88-S92 PolarHBondContact O-N 3.3Å; Q89-S92 PolarHBondContact NE2-OG 3.33Å; Q89-S92 PolarHBondContact O-N 3.41Å; Q89-S92 PolarHBondContact O-OG 2.81Å; F90-S92 PolarHBondContact O-N 2.91Å; F90-S92 VanDerWaalsContact O-N 3.14Å; S92-R99 PolarHBondContact O-NH2 3.28Å
93	I	79.1	Confident	77.4	Confident	120 Å²	120	58.7 Å²	58.7	62%	0.615	31%	0.307	S	S	*	.	H	α-helix	trans	-101.2	-17.3	178.1	60.8	165.5	0	0	0	114.1	Q89 F90 L91	Q89-I93 PolarHBondContact O-N 2.96Å; F90-I93 HydrophobicContact CD2-CD1 4.37Å; F90-I93 WeakPolarHBondContact O-CG1 3.22Å; F90-I93 PolarHBondContact O-N 3.08Å; L91-I93 VanDerWaalsContact C-N 3.34Å; L91-I93 PolarHBondContact O-N 3.47Å
94	L	77.3	Confident	77.1	Confident	16 Å²	16	61 Å²	61	8%	0.084	32%	0.321	C	S	.	.	S	Bend	trans	-63	144.9	174.2	-66.8	175.4	0	0	0	111.7	F90 L91 I98 R99 V102 V117	F90-L94 HydrophobicContact CD1-CD1 4.32Å; F90-L94 HydrophobicContact CE1-CD1 3.98Å; F90-L94 HydrophobicContact CE1-CD2 4.28Å; F90-L94 HydrophobicContact CE1-CG 4.35Å; F90-L94 HydrophobicContact CE2-CD2 4.48Å; F90-L94 HydrophobicContact CZ-CD2 4.01Å; F90-L94 PolarHBondContact O-N 3Å; L91-L94 HydrophobicContact CD2-CD1 4.16Å; L94-I98 HydrophobicContact CD1-CG2 4.38Å; L94-I98 HydrophobicContact CD2-CG2 4.33Å; L94-R99 HydrophobicContact CB-CB 4.02Å; L94-R99 PolarHBondContact O-NE 3.22Å; L94-R99 VanDerWaalsContact O-NE 3.1Å; L94-R99 PolarHBondContact O-NH2 3.08Å; L94-V102 HydrophobicContact CD1-CB 4.39Å; L94-V102 HydrophobicContact CD1-CG2 4.15Å; L94-V117 HydrophobicContact CD1-CG2 3.85Å; L94-V117 HydrophobicContact CD2-CG2 3.92Å
95	P	75.3	Confident	76.6	Confident	71 Å²	71	64.8 Å²	64.8	46%	0.461	34%	0.338	S	S	.	.			trans	-51	154.6	169.7	-27.8	36.7	0	0	0	112.6	E97 I98 R99	P95-E97 VanDerWaalsContact C-N 3.28Å; P95-E97 PolarHBondContact O-N 3.4Å; P95-I98 HydrophobicContact CB-CD1 4.38Å; P95-I98 HydrophobicContact CB-CG1 4.5Å; P95-I98 HydrophobicContact CG-CD1 4.12Å; P95-I98 PolarHBondContact O-N 3.46Å; P95-R99 WeakPolarHBondContact O-CB 3.35Å; P95-R99 PolarHBondContact O-N 2.83Å
96	G	71.8	Confident	76	Confident	38 Å²	38	68 Å²	68	39%	0.392	35%	0.351	S	S	.	.	H	α-helix	trans	-61.2	-37.3	-167.8	0	0	0	0	0	113.6	T100	G96-T100 WeakPolarHBondContact O-CB 3.43Å; G96-T100 PolarHBondContact O-N 3.37Å; G96-T100 VanDerWaalsContact O-N 3.1Å; G96-T100 PolarHBondContact O-OG1 3.02Å
97	E	72.3	Confident	75.5	Confident	147 Å²	147	65 Å²	65	69%	0.687	33%	0.333	S	S	*	.	H	α-helix	trans	-69.7	-56.4	-178.7	-53.7	71.1	-157	0	0	109.7	P95 R99 T100 W101	P95-E97 VanDerWaalsContact C-N 3.28Å; P95-E97 PolarHBondContact O-N 3.4Å; E97-R99 VanDerWaalsContact C-N 3.33Å; E97-R99 PolarHBondContact O-N 2.96Å; E97-T100 PolarHBondContact O-N 3.19Å; E97-T100 VanDerWaalsContact O-N 3.14Å; E97-W101 PolarHBondContact O-N 2.92Å
98	I	74.4	Confident	74.8	Confident	35 Å²	35	66.9 Å²	66.9	18%	0.179	35%	0.354	C	S	.	.	H	α-helix	trans	-59.2	-43.9	177.9	-61	178.3	0	0	0	110.6	L94 P95 T100 W101 V102 V117 L120	L94-I98 HydrophobicContact CD1-CG2 4.38Å; L94-I98 HydrophobicContact CD2-CG2 4.33Å; P95-I98 HydrophobicContact CB-CD1 4.38Å; P95-I98 HydrophobicContact CB-CG1 4.5Å; P95-I98 HydrophobicContact CG-CD1 4.12Å; P95-I98 PolarHBondContact O-N 3.46Å; I98-T100 VanDerWaalsContact C-N 3.33Å; I98-T100 PolarHBondContact O-N 3.25Å; I98-W101 PolarHBondContact O-N 3.22Å; I98-V102 HydrophobicContact CG2-CG2 4.22Å; I98-V102 VanDerWaalsContact O-CG2 3.28Å; I98-V102 WeakPolarHBondContact O-CG2 3.37Å; I98-V102 PolarHBondContact O-N 3.28Å; I98-V117 HydrophobicContact CG2-CG1 4.37Å; I98-V117 HydrophobicContact CG2-CG2 3.98Å; I98-L120 HydrophobicContact CG1-CD2 4.27Å; I98-L120 HydrophobicContact CG2-CD2 4.27Å
99	R	77	Confident	74.5	Confident	69 Å²	69	66.7 Å²	66.7	26%	0.26	36%	0.356	S	S	.	.	H	α-helix	trans	-56.9	-45.8	175.7	178.6	-170.3	-48.3	-155.4	-6.8	112	L91 S92 L94 P95 E97 W101 V102 Q103	L91-R99 WeakPolarHBondContact O-CD 3.47Å; L91-R99 VanDerWaalsContact O-CG 3.31Å; L91-R99 WeakPolarHBondContact O-CG 3.15Å; L91-R99 PolarHBondContact O-NE 3.32Å; L91-R99 VanDerWaalsContact O-NE 3.08Å; S92-R99 PolarHBondContact O-NH2 3.28Å; L94-R99 HydrophobicContact CB-CB 4.02Å; L94-R99 PolarHBondContact O-NE 3.22Å; L94-R99 VanDerWaalsContact O-NE 3.1Å; L94-R99 PolarHBondContact O-NH2 3.08Å; P95-R99 WeakPolarHBondContact O-CB 3.35Å; P95-R99 PolarHBondContact O-N 2.83Å; E97-R99 VanDerWaalsContact C-N 3.33Å; E97-R99 PolarHBondContact O-N 2.96Å; R99-W101 VanDerWaalsContact C-N 3.34Å; R99-V102 PolarHBondContact O-N 3.46Å; R99-Q103 VanDerWaalsContact O-CB 3.29Å; R99-Q103 WeakPolarHBondContact O-CB 3.37Å; R99-Q103 WeakPolarHBondContact O-CG 3.31Å; R99-Q103 PolarHBondContact O-N 2.93Å
100	T	72.7	Confident	74.1	Confident	92 Å²	92	61.7 Å²	61.7	56%	0.564	34%	0.336	S	S	*	.	H	α-helix	trans	-66.5	-40.1	-178.7	-55.7	0	0	0	0	110.6	G96 E97 I98 Q103 L104	G96-T100 WeakPolarHBondContact O-CB 3.43Å; G96-T100 PolarHBondContact O-N 3.37Å; G96-T100 VanDerWaalsContact O-N 3.1Å; G96-T100 PolarHBondContact O-OG1 3.02Å; E97-T100 PolarHBondContact O-N 3.19Å; E97-T100 VanDerWaalsContact O-N 3.14Å; I98-T100 VanDerWaalsContact C-N 3.33Å; I98-T100 PolarHBondContact O-N 3.25Å; T100-Q103 PolarHBondContact O-N 3.33Å; T100-L104 PolarHBondContact O-N 2.9Å; T100-L104 VanDerWaalsContact O-N 3.1Å
101	W	75	Confident	74.1	Confident	70 Å²	70	65.2 Å²	65.2	27%	0.265	35%	0.353	S	S	.	.	H	α-helix	trans	-63.7	-51.4	174.2	-170.9	94.5	0	0	0	112.2	E97 I98 R99 Q103 L104 H105 L116 L120	E97-W101 PolarHBondContact O-N 2.92Å; I98-W101 PolarHBondContact O-N 3.22Å; R99-W101 VanDerWaalsContact C-N 3.34Å; W101-Q103 VanDerWaalsContact C-N 3.27Å; W101-Q103 PolarHBondContact O-N 3.03Å; W101-L104 VanDerWaalsContact O-CB 3.26Å; W101-L104 WeakPolarHBondContact O-CB 3.42Å; W101-L104 PolarHBondContact O-N 3.3Å; W101-H105 AromaticContact CE2-CD2 3.97Å; W101-H105 AromaticContact CE2-NE2 3.7Å; W101-H105 AromaticContact CZ2-NE2 3.61Å; W101-H105 PolarHBondContact O-CD2 2.8Å; W101-H105 PolarHBondContact O-N 3.38Å; W101-L116 HydrophobicContact CH2-CD2 4.09Å; W101-L116 HydrophobicContact CZ3-CB 3.93Å; W101-L116 HydrophobicContact CZ3-CD2 4.01Å; W101-L116 VanDerWaalsContact CZ3-O 3.24Å; W101-L116 WeakPolarHBondContact CZ3-O 3.44Å; W101-L120 HydrophobicContact CB-CD2 4.23Å; W101-L120 HydrophobicContact CD2-CB 4.41Å; W101-L120 HydrophobicContact CD2-CD1 4.14Å; W101-L120 HydrophobicContact CD2-CD2 3.83Å; W101-L120 HydrophobicContact CD2-CG 4.35Å; W101-L120 HydrophobicContact CE3-CB 4.06Å; W101-L120 HydrophobicContact CE3-CD2 3.82Å; W101-L120 HydrophobicContact CE3-CG 4.38Å; W101-L120 HydrophobicContact CG-CD1 4.43Å; W101-L120 HydrophobicContact CG-CD2 4.01Å; W101-L120 HydrophobicContact CH2-CB 3.98Å; W101-L120 HydrophobicContact CZ2-CB 4.32Å; W101-L120 HydrophobicContact CZ2-CD1 4.27Å; W101-L120 HydrophobicContact CZ3-CB 3.83Å; W101-L120 HydrophobicContact CZ3-CD2 4.46Å
102	V	74.9	Confident	74.2	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-61.8	-35.6	178.6	177.9	0	0	0	0	111.6	L91 L94 I98 R99 L104 H105 H106 P107 A113 L116 V117	L91-V102 HydrophobicContact CD2-CB 4.23Å; L91-V102 HydrophobicContact CD2-CG1 3.6Å; L94-V102 HydrophobicContact CD1-CB 4.39Å; L94-V102 HydrophobicContact CD1-CG2 4.15Å; I98-V102 HydrophobicContact CG2-CG2 4.22Å; I98-V102 VanDerWaalsContact O-CG2 3.28Å; I98-V102 WeakPolarHBondContact O-CG2 3.37Å; I98-V102 PolarHBondContact O-N 3.28Å; R99-V102 PolarHBondContact O-N 3.46Å; V102-L104 VanDerWaalsContact C-N 3.33Å; V102-L104 PolarHBondContact O-N 3.27Å; V102-H105 PolarHBondContact O-N 3.24Å; V102-H106 PolarHBondContact O-N 3.34Å; V102-P107 HydrophobicContact CG1-CG 3.98Å; V102-P107 WeakPolarHBondContact O-CD 3.37Å; V102-A113 HydrophobicContact CG1-CB 4.09Å; V102-L116 HydrophobicContact CG1-CB 4.48Å; V102-L116 HydrophobicContact CG1-CD1 4.41Å; V102-L116 HydrophobicContact CG2-CB 4.49Å; V102-V117 HydrophobicContact CG2-CG2 3.49Å; V102-V117 VanDerWaalsContact CG2-CG2 3.49Å
103	Q	72.4	Confident	74.4	Confident	75 Å²	75	67.6 Å²	67.6	35%	0.35	36%	0.36	S	S	.	.	H	α-helix	trans	-66.9	-31.2	174.5	-76.1	179.5	-33.4	0	0	112.9	L91 R99 T100 W101 H105 H106	L91-Q103 HydrophobicContact CD1-CG 4.23Å; L91-Q103 HydrophobicContact CD2-CG 4.33Å; R99-Q103 VanDerWaalsContact O-CB 3.29Å; R99-Q103 WeakPolarHBondContact O-CB 3.37Å; R99-Q103 WeakPolarHBondContact O-CG 3.31Å; R99-Q103 PolarHBondContact O-N 2.93Å; T100-Q103 PolarHBondContact O-N 3.33Å; W101-Q103 VanDerWaalsContact C-N 3.27Å; W101-Q103 PolarHBondContact O-N 3.03Å; Q103-H105 VanDerWaalsContact C-N 3.26Å; Q103-H105 PolarHBondContact O-N 3.46Å; Q103-H106 PolarHBondContact O-N 2.83Å; Q103-H106 PolarHBondContact O-ND1 2.79Å
104	L	74.3	Confident	74.5	Confident	128 Å²	128	64.5 Å²	64.5	67%	0.67	35%	0.346	S	S	*	.	H	α-helix	trans	-65.3	-30.2	174.3	-167.7	68.4	0	0	0	112.3	T100 W101 V102 H106	T100-L104 PolarHBondContact O-N 2.9Å; T100-L104 VanDerWaalsContact O-N 3.1Å; W101-L104 VanDerWaalsContact O-CB 3.26Å; W101-L104 WeakPolarHBondContact O-CB 3.42Å; W101-L104 PolarHBondContact O-N 3.3Å; V102-L104 VanDerWaalsContact C-N 3.33Å; V102-L104 PolarHBondContact O-N 3.27Å; L104-H106 PolarHBondContact O-CE1 2.91Å; L104-H106 PolarHBondContact O-ND1 2.93Å
105	H	70.5	Confident	74.7	Confident	95 Å²	95	66.3 Å²	66.3	44%	0.44	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-0.1	178.4	-75.3	-102.1	0	0	0	114.5	W101 V102 Q103 L116	W101-H105 AromaticContact CE2-CD2 3.97Å; W101-H105 AromaticContact CE2-NE2 3.7Å; W101-H105 AromaticContact CZ2-NE2 3.61Å; W101-H105 PolarHBondContact O-CD2 2.8Å; W101-H105 PolarHBondContact O-N 3.38Å; V102-H105 PolarHBondContact O-N 3.24Å; Q103-H105 VanDerWaalsContact C-N 3.26Å; Q103-H105 PolarHBondContact O-N 3.46Å; H105-L116 HydrophobicContact CB-CD1 3.63Å; H105-L116 HydrophobicContact CB-CD2 3.73Å; H105-L116 HydrophobicContact CB-CG 4.34Å
106	H	69.4	Low	75	Confident	138 Å²	138	64 Å²	64	64%	0.639	35%	0.347	S	S	*	.			trans	48.5	50.3	169.9	-62.1	78.5	0	0	0	116.6	V102 Q103 L104 G108	V102-H106 PolarHBondContact O-N 3.34Å; Q103-H106 PolarHBondContact O-N 2.83Å; Q103-H106 PolarHBondContact O-ND1 2.79Å; L104-H106 PolarHBondContact O-CE1 2.91Å; L104-H106 PolarHBondContact O-ND1 2.93Å; H106-G108 PolarHBondContact O-N 3.16Å
107	P	71.9	Confident	75.4	Confident	18 Å²	18	63.4 Å²	63.4	12%	0.117	34%	0.336	C	S	.	.			trans	-58.4	136.6	178.3	24.2	-34.1	0	0	0	112.7	L87 V102 E112 A113 L116	L87-P107 HydrophobicContact CD1-CG 4.31Å; L87-P107 WeakPolarHBondContact CD2-O 3.4Å; V102-P107 HydrophobicContact CG1-CG 3.98Å; V102-P107 WeakPolarHBondContact O-CD 3.37Å; P107-E112 HydrophobicContact CB-CB 3.68Å; P107-A113 HydrophobicContact CB-CB 3.92Å; P107-A113 HydrophobicContact CG-CB 3.73Å; P107-L116 HydrophobicContact CB-CD1 4Å; P107-L116 HydrophobicContact CG-CD1 4.1Å
108	G	66.6	Low	76	Confident	49 Å²	49	61.7 Å²	61.7	51%	0.505	33%	0.328	S	S	.	.	S	Bend	trans	-88.2	-15.4	177	0	0	0	0	0	114.5	H106 E112	H106-G108 PolarHBondContact O-N 3.16Å; G108-E112 WeakPolarHBondContact CA-OE2 3.2Å; G108-E112 PolarHBondContact N-OE2 3.21Å
109	S	76.1	Confident	76.2	Confident	23 Å²	23	65.4 Å²	65.4	16%	0.161	35%	0.345	C	S	.	.	S	Bend	trans	-135.5	166.4	-179.1	65.4	0	0	0	0	112.3	E111 E112 A113	S109-E111 VanDerWaalsContact C-N 3.3Å; S109-E111 WeakPolarHBondContact CB-OE2 3.46Å; S109-E112 VanDerWaalsContact CB-OE1 3.31Å; S109-E112 WeakPolarHBondContact CB-OE1 3.24Å; S109-E112 PolarHBondContact N-OE1 3.24Å; S109-E112 WeakPolarHBondContact OG-CB 3.43Å; S109-E112 VanDerWaalsContact OG-CG 3.22Å; S109-E112 WeakPolarHBondContact OG-CG 3.18Å; S109-E112 PolarHBondContact OG-N 3.13Å; S109-E112 VanDerWaalsContact OG-N 3.15Å; S109-E112 PolarHBondContact OG-OE1 2.97Å; S109-A113 PolarHBondContact O-N 3.31Å
110	G	73.6	Confident	76.1	Confident	12 Å²	12	63.3 Å²	63.3	12%	0.124	34%	0.338	C	S	.	.	H	α-helix	trans	-67.2	-35.5	174.9	0	0	0	0	0	111.8	A113 V114	G110-A113 PolarHBondContact O-N 3.42Å; G110-V114 WeakPolarHBondContact O-CG2 3.2Å; G110-V114 PolarHBondContact O-N 3Å
111	E	78.8	Confident	76.1	Confident	127 Å²	127	63 Å²	63	59%	0.593	33%	0.331	S	S	*	.	H	α-helix	trans	-65.9	-43.1	178.6	-61.8	90.1	153.6	0	0	112	S109 A113 V114 A115	S109-E111 VanDerWaalsContact C-N 3.3Å; S109-E111 WeakPolarHBondContact CB-OE2 3.46Å; E111-A113 VanDerWaalsContact C-N 3.34Å; E111-A113 PolarHBondContact O-N 3.36Å; E111-V114 PolarHBondContact O-N 3.31Å; E111-A115 WeakPolarHBondContact O-CB 3.38Å; E111-A115 PolarHBondContact O-N 2.95Å
112	E	78.8	Confident	76	Confident	96 Å²	96	66.2 Å²	66.2	45%	0.449	35%	0.347	S	S	.	.	H	α-helix	trans	-60.9	-42.2	172.3	-74.3	154.9	-119.3	0	0	111.6	P107 G108 S109 V114 A115 L116	P107-E112 HydrophobicContact CB-CB 3.68Å; G108-E112 WeakPolarHBondContact CA-OE2 3.2Å; G108-E112 PolarHBondContact N-OE2 3.21Å; S109-E112 VanDerWaalsContact CB-OE1 3.31Å; S109-E112 WeakPolarHBondContact CB-OE1 3.24Å; S109-E112 PolarHBondContact N-OE1 3.24Å; S109-E112 WeakPolarHBondContact OG-CB 3.43Å; S109-E112 VanDerWaalsContact OG-CG 3.22Å; S109-E112 WeakPolarHBondContact OG-CG 3.18Å; S109-E112 PolarHBondContact OG-N 3.13Å; S109-E112 VanDerWaalsContact OG-N 3.15Å; S109-E112 PolarHBondContact OG-OE1 2.97Å; E112-V114 VanDerWaalsContact C-N 3.34Å; E112-V114 PolarHBondContact O-N 3.13Å; E112-A115 PolarHBondContact O-N 2.93Å; E112-L116 WeakPolarHBondContact O-CB 3.43Å; E112-L116 WeakPolarHBondContact O-CD1 3.45Å; E112-L116 VanDerWaalsContact O-CG 3.3Å; E112-L116 WeakPolarHBondContact O-CG 3.43Å; E112-L116 PolarHBondContact O-N 2.99Å
113	A	79.4	Confident	75.3	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-66.5	-33.7	177.9	0	0	0	0	0	113	L87 F90 V102 P107 S109 G110 E111 V117	L87-A113 HydrophobicContact CD1-CB 3.45Å; L87-A113 VanDerWaalsContact CD1-CB 3.45Å; F90-A113 HydrophobicContact CD1-CB 3.93Å; F90-A113 HydrophobicContact CE1-CB 3.95Å; V102-A113 HydrophobicContact CG1-CB 4.09Å; P107-A113 HydrophobicContact CB-CB 3.92Å; P107-A113 HydrophobicContact CG-CB 3.73Å; S109-A113 PolarHBondContact O-N 3.31Å; G110-A113 PolarHBondContact O-N 3.42Å; E111-A113 VanDerWaalsContact C-N 3.34Å; E111-A113 PolarHBondContact O-N 3.36Å; A113-V117 WeakPolarHBondContact O-CG2 3.42Å; A113-V117 PolarHBondContact O-N 2.92Å
114	V	81.1	Confident	74.6	Confident	55 Å²	55	73.9 Å²	73.9	33%	0.333	39%	0.389	S	S	.	.	H	α-helix	trans	-70	-47	173.1	170.2	0	0	0	0	110.8	F90 G110 E111 E112 L116 V117 E118	F90-V114 HydrophobicContact CE1-CG2 3.95Å; F90-V114 HydrophobicContact CE2-CG2 4.03Å; F90-V114 HydrophobicContact CZ-CG2 3.57Å; G110-V114 WeakPolarHBondContact O-CG2 3.2Å; G110-V114 PolarHBondContact O-N 3Å; E111-V114 PolarHBondContact O-N 3.31Å; E112-V114 VanDerWaalsContact C-N 3.34Å; E112-V114 PolarHBondContact O-N 3.13Å; V114-L116 VanDerWaalsContact C-N 3.29Å; V114-L116 PolarHBondContact O-N 2.96Å; V114-V117 PolarHBondContact O-N 2.9Å; V114-V117 VanDerWaalsContact O-N 3.08Å; V114-E118 HydrophobicContact CG1-CG 4.29Å; V114-E118 WeakPolarHBondContact O-CG 3.38Å; V114-E118 PolarHBondContact O-N 3.42Å
115	A	81.9	Confident	73.6	Confident	54 Å²	54	73.7 Å²	73.7	45%	0.446	39%	0.389	S	S	.	.	H	α-helix	trans	-57.4	-42.8	178.7	0	0	0	0	0	112	E111 E112 E118 E119	E111-A115 WeakPolarHBondContact O-CB 3.38Å; E111-A115 PolarHBondContact O-N 2.95Å; E112-A115 PolarHBondContact O-N 2.93Å; A115-E118 CarbonylContact O-C 3.57Å; A115-E118 PolarHBondContact O-N 3.49Å; A115-E119 WeakPolarHBondContact O-CB 3.42Å; A115-E119 PolarHBondContact O-N 3.05Å
116	L	82.4	Confident	72.7	Confident	22 Å²	22	71.2 Å²	71.2	12%	0.115	39%	0.39	C	S	.	.	H	α-helix	trans	-59.4	-45.5	173.4	-78.2	167.9	0	0	0	112.6	W101 V102 H105 P107 E112 V114 E119 L120	W101-L116 HydrophobicContact CH2-CD2 4.09Å; W101-L116 HydrophobicContact CZ3-CB 3.93Å; W101-L116 HydrophobicContact CZ3-CD2 4.01Å; W101-L116 VanDerWaalsContact CZ3-O 3.24Å; W101-L116 WeakPolarHBondContact CZ3-O 3.44Å; V102-L116 HydrophobicContact CG1-CB 4.48Å; V102-L116 HydrophobicContact CG1-CD1 4.41Å; V102-L116 HydrophobicContact CG2-CB 4.49Å; H105-L116 HydrophobicContact CB-CD1 3.63Å; H105-L116 HydrophobicContact CB-CD2 3.73Å; H105-L116 HydrophobicContact CB-CG 4.34Å; P107-L116 HydrophobicContact CB-CD1 4Å; P107-L116 HydrophobicContact CG-CD1 4.1Å; E112-L116 WeakPolarHBondContact O-CB 3.43Å; E112-L116 WeakPolarHBondContact O-CD1 3.45Å; E112-L116 VanDerWaalsContact O-CG 3.3Å; E112-L116 WeakPolarHBondContact O-CG 3.43Å; E112-L116 PolarHBondContact O-N 2.99Å; V114-L116 VanDerWaalsContact C-N 3.29Å; V114-L116 PolarHBondContact O-N 2.96Å; L116-E119 PolarHBondContact O-N 3.27Å; L116-L120 PolarHBondContact O-N 2.85Å
117	V	80.8	Confident	71.4	Confident	27 Å²	27	71.2 Å²	71.2	16%	0.164	40%	0.402	C	S	.	.	H	α-helix	trans	-63.2	-42.1	175.3	173.2	0	0	0	0	111.3	F90 L94 I98 V102 A113 V114 E119 Q121	F90-V117 HydrophobicContact CE1-CG2 4.39Å; F90-V117 HydrophobicContact CZ-CG2 4.48Å; L94-V117 HydrophobicContact CD1-CG2 3.85Å; L94-V117 HydrophobicContact CD2-CG2 3.92Å; I98-V117 HydrophobicContact CG2-CG1 4.37Å; I98-V117 HydrophobicContact CG2-CG2 3.98Å; V102-V117 HydrophobicContact CG2-CG2 3.49Å; V102-V117 VanDerWaalsContact CG2-CG2 3.49Å; A113-V117 WeakPolarHBondContact O-CG2 3.42Å; A113-V117 PolarHBondContact O-N 2.92Å; V114-V117 PolarHBondContact O-N 2.9Å; V114-V117 VanDerWaalsContact O-N 3.08Å; V117-E119 VanDerWaalsContact C-N 3.29Å; V117-E119 PolarHBondContact O-N 2.83Å; V117-Q121 VanDerWaalsContact O-CB 3.28Å; V117-Q121 WeakPolarHBondContact O-CB 3.4Å; V117-Q121 PolarHBondContact O-N 3.3Å
118	E	83	Confident	69.9	Low	111 Å²	111	75.2 Å²	75.2	52%	0.519	44%	0.436	S	S	.	.	H	α-helix	trans	-71	-21.5	178.7	-70.8	-174.8	-177	0	0	113.4	V114 A115 K122	V114-E118 HydrophobicContact CG1-CG 4.29Å; V114-E118 WeakPolarHBondContact O-CG 3.38Å; V114-E118 PolarHBondContact O-N 3.42Å; A115-E118 CarbonylContact O-C 3.57Å; A115-E118 PolarHBondContact O-N 3.49Å; E118-K122 WeakPolarHBondContact O-CD 3.31Å; E118-K122 WeakPolarHBondContact O-CE 3.3Å; E118-K122 VanDerWaalsContact O-CG 3.27Å; E118-K122 WeakPolarHBondContact O-CG 3.4Å; E118-K122 PolarHBondContact O-NZ 2.93Å
119	E	79.9	Confident	68.2	Low	113 Å²	113	80.9 Å²	80.9	53%	0.528	45%	0.453	S	S	.	.	H	α-helix	trans	-77	-53.4	172.1	-170.1	163.9	-139.6	0	0	110	A115 L116 V117 Q121 K122 D123	A115-E119 WeakPolarHBondContact O-CB 3.42Å; A115-E119 PolarHBondContact O-N 3.05Å; L116-E119 PolarHBondContact O-N 3.27Å; V117-E119 VanDerWaalsContact C-N 3.29Å; V117-E119 PolarHBondContact O-N 2.83Å; E119-Q121 PolarHBondContact O-N 3.48Å; E119-K122 WeakPolarHBondContact O-CB 3.39Å; E119-K122 PolarHBondContact O-N 3.49Å; E119-D123 PolarHBondContact O-N 3.38Å
120	L	74.6	Confident	66.2	Low	24 Å²	24	88.6 Å²	88.6	13%	0.126	49%	0.487	C	S	.	.	H	α-helix	trans	-55.5	-38	174.4	179.8	65.8	0	0	0	112.8	I98 W101 L116 K122 D123 L124	I98-L120 HydrophobicContact CG1-CD2 4.27Å; I98-L120 HydrophobicContact CG2-CD2 4.27Å; W101-L120 HydrophobicContact CB-CD2 4.23Å; W101-L120 HydrophobicContact CD2-CB 4.41Å; W101-L120 HydrophobicContact CD2-CD1 4.14Å; W101-L120 HydrophobicContact CD2-CD2 3.83Å; W101-L120 HydrophobicContact CD2-CG 4.35Å; W101-L120 HydrophobicContact CE3-CB 4.06Å; W101-L120 HydrophobicContact CE3-CD2 3.82Å; W101-L120 HydrophobicContact CE3-CG 4.38Å; W101-L120 HydrophobicContact CG-CD1 4.43Å; W101-L120 HydrophobicContact CG-CD2 4.01Å; W101-L120 HydrophobicContact CH2-CB 3.98Å; W101-L120 HydrophobicContact CZ2-CB 4.32Å; W101-L120 HydrophobicContact CZ2-CD1 4.27Å; W101-L120 HydrophobicContact CZ3-CB 3.83Å; W101-L120 HydrophobicContact CZ3-CD2 4.46Å; L116-L120 PolarHBondContact O-N 2.85Å; L120-K122 VanDerWaalsContact C-N 3.31Å; L120-K122 PolarHBondContact O-N 3.21Å; L120-D123 PolarHBondContact O-N 3.48Å; L120-L124 HydrophobicContact CD1-CD1 4.23Å; L120-L124 HydrophobicContact CD1-CG 4.38Å; L120-L124 HydrophobicContact CG-CD1 3.95Å; L120-L124 HydrophobicContact CG-CG 4.5Å; L120-L124 VanDerWaalsContact O-CG 3.29Å; L120-L124 WeakPolarHBondContact O-CG 3.43Å; L120-L124 PolarHBondContact O-N 3.26Å; L120-L124 VanDerWaalsContact O-N 3.1Å
121	Q	71.9	Confident	64.2	Low	86 Å²	86	94.1 Å²	94.1	40%	0.402	52%	0.518	S	S	.	.	H	α-helix	trans	-63.1	-36.8	177.7	-172.4	64.2	59.5	0	0	112.1	V117 E119 L124 D125	V117-Q121 VanDerWaalsContact O-CB 3.28Å; V117-Q121 WeakPolarHBondContact O-CB 3.4Å; V117-Q121 PolarHBondContact O-N 3.3Å; E119-Q121 PolarHBondContact O-N 3.48Å; Q121-L124 PolarHBondContact O-N 3.2Å; Q121-D125 PolarHBondContact NE2-OD2 3.32Å; Q121-D125 PolarHBondContact O-N 3.35Å
122	K	73.2	Confident	62	Low	138 Å²	138	94.1 Å²	94.1	60%	0.6	53%	0.529	S	S	*	.	H	α-helix	trans	-70.6	-37.4	178	-67.6	168.6	-168.3	106	0	111.9	E118 E119 L120 L124	E118-K122 WeakPolarHBondContact O-CD 3.31Å; E118-K122 WeakPolarHBondContact O-CE 3.3Å; E118-K122 VanDerWaalsContact O-CG 3.27Å; E118-K122 WeakPolarHBondContact O-CG 3.4Å; E118-K122 PolarHBondContact O-NZ 2.93Å; E119-K122 WeakPolarHBondContact O-CB 3.39Å; E119-K122 PolarHBondContact O-N 3.49Å; L120-K122 VanDerWaalsContact C-N 3.31Å; L120-K122 PolarHBondContact O-N 3.21Å; K122-L124 VanDerWaalsContact C-N 3.29Å; K122-L124 PolarHBondContact O-N 3.11Å
123	D	60.3	Low	59.7	Low	124 Å²	124	95.5 Å²	95.5	66%	0.663	54%	0.544	S	S	*	.	H	α-helix	trans	-67.8	-30.1	175.7	-73.2	-13.2	0	0	0	112.3	E119 L120	E119-D123 PolarHBondContact O-N 3.38Å; L120-D123 PolarHBondContact O-N 3.48Å
124	L	59	Low	57.2	Low	111 Å²	111	102.8 Å²	102.8	58%	0.581	58%	0.582	S	S	*	*	H	α-helix	trans	-81.3	-21.6	179	-71.8	171.8	0	0	0	114.5	L120 Q121 K122 G126	L120-L124 HydrophobicContact CD1-CD1 4.23Å; L120-L124 HydrophobicContact CD1-CG 4.38Å; L120-L124 HydrophobicContact CG-CD1 3.95Å; L120-L124 HydrophobicContact CG-CG 4.5Å; L120-L124 VanDerWaalsContact O-CG 3.29Å; L120-L124 WeakPolarHBondContact O-CG 3.43Å; L120-L124 PolarHBondContact O-N 3.26Å; L120-L124 VanDerWaalsContact O-N 3.1Å; Q121-L124 PolarHBondContact O-N 3.2Å; K122-L124 VanDerWaalsContact C-N 3.29Å; K122-L124 PolarHBondContact O-N 3.11Å; L124-G126 PolarHBondContact O-N 3.2Å
125	D	52.3	Low	54.5	Low	124 Å²	124	106.1 Å²	106.1	66%	0.663	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	12.9	178.3	-72.8	-35.9	0	0	0	113.2	Q121	Q121-D125 PolarHBondContact NE2-OD2 3.32Å; Q121-D125 PolarHBondContact O-N 3.35Å
126	G	51.8	Low	52	Low	44 Å²	44	111 Å²	111	45%	0.454	62%	0.615	S	S	.	*	S	Bend	trans	-84.8	164.2	175.5	0	0	0	0	0	115.2	L124	L124-G126 PolarHBondContact O-N 3.2Å
127	P	42.3	Very low	49.2	Very low	137 Å²	137	116 Å²	116	89%	0.89	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-65.8	136.4	-177.8	-21.9	34.6	0	0	0	114.2
128	A	40	Very low	46.6	Very low	103 Å²	103	122.2 Å²	122.2	85%	0.851	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-64.3	145	-165.8	0	0	0	0	0	116.7
129	I	30.8	Very low	43.8	Very low	167 Å²	167	122.6 Å²	122.6	86%	0.856	68%	0.675	S	S	*	*			trans	-122.2	152.1	161	-64.4	-179	0	0	0	108.4
130	Q	33.3	Very low	41.4	Very low	185 Å²	185	122.4 Å²	122.4	86%	0.864	68%	0.682	S	S	*	*			trans	-89.6	161.8	-160.4	-58	-172	25.7	0	0	115.6
131	V	33.3	Very low	39.1	Very low	129 Å²	129	128 Å²	128	78%	0.782	71%	0.711	S	S	*	*			trans	-64.9	152.8	175.9	-141.4	0	0	0	0	111.8
132	P	32.8	Very low	37	Very low	126 Å²	126	129.8 Å²	129.8	82%	0.818	72%	0.72	S	S	*	*				-138.2	169.1	102.2	36.2	-23.2	0	0	0	115.6
133	V	30	Very low	34.8	Very low	126 Å²	126	131.8 Å²	131.8	76%	0.764	73%	0.728	S	S	*	*			trans	-84.6	154.7	-176.8	166.3	0	0	0	0	111.4
134	L	25.5	Very low	33.1	Very low	152 Å²	152	129.9 Å²	129.9	80%	0.796	73%	0.73	S	S	*	*				165.8	130.7	120.7	-165.1	63.6	0	0	0	116.4
135	V	24.9	Very low	31.6	Very low	125 Å²	125	130.9 Å²	130.9	76%	0.758	74%	0.74	S	S	*	*			trans	70.7	168.3	151.6	163.7	0	0	0	0	121.1
136	Q	29.5	Very low	30.3	Very low	156 Å²	156	130.6 Å²	130.6	73%	0.729	75%	0.748	S	S	*	*			trans	-95.8	169.3	-159.6	-55.4	156.1	-131.5	0	0	115.2
137	D	24.1	Very low	29.1	Very low	127 Å²	127	132.7 Å²	132.7	68%	0.679	76%	0.761	S	S	*	*			trans	95.2	143.1	132.9	-92.9	-53.5	0	0	0	123.2
138	Q	26.8	Very low	29.4	Very low	159 Å²	159	132.4 Å²	132.4	74%	0.743	76%	0.759	S	S	*	*			trans	53.8	130.9	158.3	-75.7	-171.8	-98.9	0	0	125
139	D	24.5	Very low	28.7	Very low	118 Å²	118	130.9 Å²	130.9	63%	0.631	75%	0.753	S	S	*	*			trans	68.6	104.6	134.3	-77.3	-49.9	0	0	0	124.4
140	T	28	Very low	28.3	Very low	109 Å²	109	129.5 Å²	129.5	67%	0.669	75%	0.753	S	S	*	*				69.3	140.3	107.7	-53.6	0	0	0	0	121.8
141	L	27.6	Very low	27.7	Very low	142 Å²	142	127 Å²	127	74%	0.743	75%	0.75	S	S	*	*			trans	78.9	150	163.5	-115.1	69.5	0	0	0	115.9
142	Q	26.2	Very low	27.4	Very low	124 Å²	124	128.2 Å²	128.2	58%	0.579	75%	0.752	S	S	*	*			cis	-166.2	152.1	11.3	-164.5	174.9	69.3	0	0	113
143	K	27	Very low	28.6	Very low	179 Å²	179	127.7 Å²	127.7	78%	0.778	75%	0.748	S	S	*	*			trans	64	175.3	157	-84.4	160.2	-165.6	162.4	0	116.7
144	A	26.5	Very low	29.8	Very low	85 Å²	85	126.9 Å²	126.9	70%	0.702	75%	0.746	S	S	*	*			cis	178.5	169.7	-31.6	0	0	0	0	0	108.6
145	V	26.7	Very low	29.6	Very low	132 Å²	132	126.4 Å²	126.4	80%	0.8	75%	0.749	S	S	*	*			cis	-165.5	173.6	-5.5	113.2	0	0	0	0	110.5
146	S	24.2	Very low	29.8	Very low	117 Å²	117	127.6 Å²	127.6	82%	0.818	75%	0.75	S	S	*	*			trans	86.9	153.5	158	-85.1	0	0	0	0	122.2
147	A	26.8	Very low	30.4	Very low	89 Å²	89	126 Å²	126	74%	0.736	75%	0.753	S	S	*	*			trans	-131	-153.3	168.7	0	0	0	0	0	106.4
148	P	48.5	Very low	30.6	Very low	130 Å²	130	123.1 Å²	123.1	84%	0.844	75%	0.754	S	S	*	*			cis	-135.5	-168.4	-8.9	42.3	-22.9	0	0	0	114.8
149	G	24.8	Very low	30.8	Very low	71 Å²	71	120.6 Å²	120.6	73%	0.732	75%	0.754	S	S	*	*			trans	-169.2	160.5	171.1	0	0	0	0	0	113.8
150	T	24	Very low	31	Very low	139 Å²	139	123.2 Å²	123.2	85%	0.853	76%	0.762	S	S	*	*			trans	-147.2	160.5	-161.3	-49.8	0	0	0	0	114.1
151	T	20.2	Very low	31.1	Very low	131 Å²	131	125.4 Å²	125.4	80%	0.804	77%	0.768	S	S	*	*			trans	133.3	163.2	142.7	-47.4	0	0	0	0	116.6
152	L	26.9	Very low	30.9	Very low	155 Å²	155	122.6 Å²	122.6	81%	0.812	77%	0.765	S	S	*	*			trans	-143	-179.6	-174.1	-76.6	167.8	0	0	0	109.7
153	P	59	Low	30.9	Very low	115 Å²	115	121 Å²	121	75%	0.747	77%	0.773	S	S	*	*			cis	-117.4	-110.7	-29.3	23.4	2.1	0	0	0	109.4
154	P	53.3	Low	30.8	Very low	109 Å²	109	120.7 Å²	120.7	71%	0.708	77%	0.774	S	S	*	*			cis	-130.5	-150.2	-44.2	34.5	-11.5	0	0	0	114.3
155	V	21.7	Very low	30.7	Very low	142 Å²	142	123.5 Å²	123.5	86%	0.861	78%	0.776	S	S	*	*			trans	99.4	147.6	163.8	-171.4	0	0	0	0	118.8
156	L	29.9	Very low	30.8	Very low	150 Å²	150	123.1 Å²	123.1	79%	0.785	78%	0.778	S	S	*	*			trans	-151.4	158.2	-169.1	-123.4	167.6	0	0	0	108.7
157	P	42.7	Very low	31	Very low	122 Å²	122	123.3 Å²	123.3	79%	0.792	78%	0.777	S	S	*	*				-162.4	168.8	95.1	41.5	-21	0	0	0	120
158	G	26.9	Very low	30.9	Very low	67 Å²	67	127.9 Å²	127.9	69%	0.691	78%	0.782	S	S	*	*			trans	83.7	155.5	157.2	0	0	0	0	0	118
159	S	31.4	Very low	31.2	Very low	107 Å²	107	127.5 Å²	127.5	75%	0.748	78%	0.78	S	S	*	*			cis	176.5	179.6	-9.1	39.7	0	0	0	0	106.7
160	H	29.7	Very low	31.9	Very low	172 Å²	172	128.9 Å²	128.9	80%	0.796	78%	0.776	S	S	*	*			cis	-168.9	164.4	-36	-84.1	-34.2	0	0	0	105.2
161	I	29	Very low	31.8	Very low	155 Å²	155	127.6 Å²	127.6	80%	0.795	77%	0.768	S	S	*	*			cis	-163.5	165.5	-5	-105.6	167	0	0	0	104.6
162	A	24.3	Very low	32	Very low	83 Å²	83	128.3 Å²	128.3	69%	0.686	77%	0.767	S	S	*	*			cis	-135.8	-159.6	23.6	0	0	0	0	0	110.9
163	A	26.1	Very low	31.8	Very low	90 Å²	90	129.2 Å²	129.2	74%	0.744	77%	0.771	S	S	*	*			cis	82.6	144.3	23	0	0	0	0	0	116.9
164	E	24.4	Very low	30.1	Very low	173 Å²	173	129.6 Å²	129.6	81%	0.808	77%	0.772	S	S	*	*			cis	-160.3	176.4	1.1	-144.9	179.5	-148.5	0	0	116
165	I	23.5	Very low	28.6	Very low	144 Å²	144	128.2 Å²	128.2	74%	0.738	77%	0.769	S	S	*	*			trans	94.6	127.9	157.9	-62.8	155.3	0	0	0	120.8
166	C	29.4	Very low	28.5	Very low	125 Å²	125	130.9 Å²	130.9	85%	0.845	77%	0.77	S	S	*	*			trans	-135.1	156	160.6	-70.7	0	0	0	0	109.7
167	P	29.1	Very low	28.3	Very low	121 Å²	121	130.2 Å²	130.2	79%	0.786	77%	0.767	S	S	*	*			trans	-145.6	175.8	131	32.6	-14.2	0	0	0	115.9
168	H	23.3	Very low	27.4	Very low	185 Å²	185	131.7 Å²	131.7	86%	0.856	77%	0.767	S	S	*	*			trans	-109.6	-166.1	174.8	-69.9	-72	0	0	0	112.1
169	P	55.3	Low	27.2	Very low	121 Å²	121	136.2 Å²	136.2	79%	0.786	77%	0.771	S	S	*	*				-100	-98.5	-104.2	31	-9.6	0	0	0	114.7
170	P	39	Very low	26.7	Very low	101 Å²	101	138.2 Å²	138.2	66%	0.656	77%	0.773	S	S	*	*			cis	-130.9	-177.8	-11.5	37.9	-16.1	0	0	0	117
171	T	23.6	Very low	27.5	Very low	111 Å²	111	135 Å²	135	68%	0.681	77%	0.767	S	S	*	*			trans	64.4	116	148	40.9	0	0	0	0	125.2
172	D	23.8	Very low	27.3	Very low	146 Å²	146	136.4 Å²	136.4	78%	0.781	77%	0.77	S	S	*	*				42.2	130.7	115.5	-54.4	-17.6	0	0	0	123.6
173	L	23.1	Very low	27.3	Very low	174 Å²	174	139.9 Å²	139.9	91%	0.911	77%	0.772	S	S	*	*			trans	-152.9	174.6	136.3	-115.5	171.3	0	0	0	112.5
174	V	21.8	Very low	27.1	Very low	124 Å²	124	142.4 Å²	142.4	75%	0.752	77%	0.773	S	S	*	*			trans	-142.4	143.8	-145.9	156.9	0	0	0	0	116.3
175	A	22.9	Very low	27.2	Very low	80 Å²	80	139.3 Å²	139.3	66%	0.661	77%	0.771	S	S	*	*			trans	67.8	168.6	163.8	0	0	0	0	0	116.9
176	F	20.3	Very low	27.6	Very low	197 Å²	197	138.5 Å²	138.5	86%	0.864	78%	0.775	S	S	*	*			cis	-139	174.1	13.8	-121.6	-84.4	0	0	0	112.9
177	N	24.6	Very low	27.3	Very low	137 Å²	137	136.8 Å²	136.8	73%	0.733	77%	0.769	S	S	*	*			trans	-85.1	165.6	176.4	-55.5	-82.7	0	0	0	113.4
178	L	23.4	Very low	27.6	Very low	152 Å²	152	137.3 Å²	137.3	80%	0.796	77%	0.773	S	S	*	*				179.8	169.3	118.3	-100.9	168.2	0	0	0	116.7
179	Q	22.7	Very low	27.7	Very low	163 Å²	163	137.7 Å²	137.7	76%	0.762	78%	0.775	S	S	*	*			trans	75.6	98.6	162.8	-103.2	68.5	60.7	0	0	122.3
180	D	22.4	Very low	26.2	Very low	148 Å²	148	136.6 Å²	136.6	79%	0.791	78%	0.776	S	S	*	*			trans	-91.5	-173	143.8	-119	-32.6	0	0	0	108.5
181	P	45.9	Very low	25.5	Very low	105 Å²	105	137.7 Å²	137.7	68%	0.682	79%	0.786	S	S	*	*			cis	-136	-177.2	-33.5	40.3	-24.1	0	0	0	113.2
182	Q	23.6	Very low	25.5	Very low	184 Å²	184	137.5 Å²	137.5	86%	0.86	80%	0.796	S	S	*	*			trans	170.3	140.2	131.5	-92.7	-173.8	-1.8	0	0	109.1
183	H	25.8	Very low	25.7	Very low	156 Å²	156	139 Å²	139	72%	0.722	80%	0.803	S	S	*	*			cis	104.6	102.5	27.4	-158.6	-71.2	0	0	0	112.1
184	D	21.5	Very low	25.7	Very low	144 Å²	144	136.6 Å²	136.6	77%	0.77	80%	0.8	S	S	*	*				-174.1	173.5	128.5	-99.8	-12.8	0	0	0	114.7
185	S	25.3	Very low	26	Very low	108 Å²	108	139.5 Å²	139.5	76%	0.755	81%	0.806	S	S	*	*			trans	-137.3	165.1	-174.1	-74.2	0	0	0	0	107.7
186	P	33	Very low	26.2	Very low	127 Å²	127	145.1 Å²	145.1	83%	0.825	82%	0.818	S	S	*	*				-150.4	-171	50.5	42	-19.4	0	0	0	116.8
187	A	23.2	Very low	26.6	Very low	88 Å²	88	144.6 Å²	144.6	73%	0.727	82%	0.819	S	S	*	*			trans	-93.1	167.6	165	0	0	0	0	0	111.6
188	P	35.3	Very low	26.8	Very low	133 Å²	133	143 Å²	143	86%	0.864	81%	0.81	S	S	*	*				-136.1	-178.6	119.6	38.6	-29.1	0	0	0	114
189	E	26.1	Very low	27.2	Very low	193 Å²	193	140.7 Å²	140.7	90%	0.902	80%	0.804	S	S	*	*			trans	-98.5	155.2	-174.3	-51.3	177.8	127.6	0	0	112.9
190	A	22.5	Very low	27.5	Very low	97 Å²	97	142.3 Å²	142.3	80%	0.802	80%	0.804	S	S	*	*				157.1	126.6	128.6	0	0	0	0	0	115.6
191	S	25	Very low	28.1	Very low	125 Å²	125	141.1 Å²	141.1	87%	0.874	80%	0.797	S	S	*	*			trans	3.5	124.5	150.6	-51.1	0	0	0	0	122.8
192	A	22.9	Very low	27.7	Very low	107 Å²	107	143.5 Å²	143.5	88%	0.884	80%	0.799	S	S	*	*			trans	-161	164	139.6	0	0	0	0	0	112.3
193	L	28	Very low	28.2	Very low	178 Å²	178	140.7 Å²	140.7	93%	0.932	79%	0.789	S	S	*	*			trans	-112.9	138.3	175.1	-87.4	155	0	0	0	110.7
194	S	24	Very low	28.6	Very low	122 Å²	122	139.9 Å²	139.9	85%	0.853	79%	0.787	S	S	*	*			trans	-164.2	168.5	149.8	52.4	0	0	0	0	110.7
195	Q	28.3	Very low	29.2	Very low	185 Å²	185	135.7 Å²	135.7	86%	0.864	77%	0.773	S	S	*	*			trans	-107.7	148.8	-177.9	-63.4	167.4	-105.8	0	0	110.4
196	E	26.9	Very low	29.7	Very low	198 Å²	198	136.6 Å²	136.6	93%	0.925	77%	0.768	S	S	*	*			trans	-127.9	147.6	156.1	-76.2	-162.3	139.5	0	0	110.3
197	E	28.1	Very low	29.7	Very low	187 Å²	187	137.1 Å²	137.1	87%	0.874	76%	0.762	S	S	*	*			trans	-95.2	158.9	-173.5	-59.8	-164.2	117.5	0	0	112.8
198	N	29.8	Very low	30.2	Very low	104 Å²	104	139.8 Å²	139.8	56%	0.556	76%	0.763	S	S	*	*			trans	-99.7	120.4	-175.3	-163	-71.2	0	0	0	112.1	R200 N201	N198-R200 PolarHBondContact O-N 2.96Å; N198-R200 WeakPolarHBondContact OD1-CB 3.3Å; N198-R200 PolarHBondContact OD1-N 3.42Å; N198-N201 PolarHBondContact O-N 3.13Å
199	P	30.1	Very low	30	Very low	103 Å²	103	140.6 Å²	140.6	67%	0.669	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	-7	-174.1	25	-34.4	0	0	0	115.1	N201 Q202	P199-N201 PolarHBondContact O-N 2.93Å; P199-Q202 PolarHBondContact O-N 3.23Å
200	R	30.2	Very low	30.2	Very low	197 Å²	197	137.1 Å²	137.1	74%	0.743	75%	0.751	S	S	*	*	H	α-helix	trans	-59.5	-27.5	175.8	-84.7	-175	161.1	160.1	-1.2	114.5	N198 Q202 L203 M204	N198-R200 PolarHBondContact O-N 2.96Å; N198-R200 WeakPolarHBondContact OD1-CB 3.3Å; N198-R200 PolarHBondContact OD1-N 3.42Å; R200-Q202 PolarHBondContact O-N 2.93Å; R200-L203 PolarHBondContact O-N 3.12Å; R200-M204 PolarHBondContact O-N 3.47Å
201	N	35.7	Very low	30.4	Very low	123 Å²	123	136.7 Å²	136.7	66%	0.658	75%	0.748	S	S	*	*	H	α-helix	trans	-71.1	-31.8	-173.3	-68.4	-9.3	0	0	0	112.5	N198 P199 A205	N198-N201 PolarHBondContact O-N 3.13Å; P199-N201 PolarHBondContact O-N 2.93Å; N201-A205 PolarHBondContact O-N 2.86Å
202	Q	36.8	Very low	30.8	Very low	155 Å²	155	139.3 Å²	139.3	72%	0.724	75%	0.746	S	S	*	*	H	α-helix	trans	-69.1	-37	176.6	-71.5	178	-15.4	0	0	112.2	P199 R200 M204 A205 L206	P199-Q202 PolarHBondContact O-N 3.23Å; R200-Q202 PolarHBondContact O-N 2.93Å; Q202-M204 PolarHBondContact O-N 3.1Å; Q202-A205 PolarHBondContact O-N 3.05Å; Q202-L206 PolarHBondContact O-N 2.88Å; Q202-L206 VanDerWaalsContact O-N 3.15Å
203	L	33.9	Very low	31.3	Very low	124 Å²	124	140.3 Å²	140.3	65%	0.649	74%	0.744	S	S	*	*	H	α-helix	trans	-67.5	-34.8	-179.9	-165	69.2	0	0	0	112.6	R200 M207	R200-L203 PolarHBondContact O-N 3.12Å; L203-M207 PolarHBondContact O-N 2.99Å
204	M	33.9	Very low	31.5	Very low	139 Å²	139	140.7 Å²	140.7	69%	0.685	74%	0.741	S	S	*	*	H	α-helix	trans	-72.9	-30.6	173.3	-78.6	-170.7	161.3	0	0	113.2	R200 Q202 L208	R200-M204 PolarHBondContact O-N 3.47Å; Q202-M204 PolarHBondContact O-N 3.1Å; M204-L208 WeakPolarHBondContact O-CG 3.48Å
205	A	34.5	Very low	32.3	Very low	56 Å²	56	143.8 Å²	143.8	46%	0.463	74%	0.742	S	S	.	*	H	α-helix	trans	-66.2	-41.7	175	0	0	0	0	0	111.6	N201 Q202 M207 L208	N201-A205 PolarHBondContact O-N 2.86Å; Q202-A205 PolarHBondContact O-N 3.05Å; A205-M207 PolarHBondContact O-N 2.84Å; A205-L208 PolarHBondContact O-N 3.17Å
206	L	35.3	Very low	33.1	Very low	127 Å²	127	142 Å²	142	67%	0.665	74%	0.737	S	S	*	*	H	α-helix	trans	-64	-40.2	179.7	-139.5	80.9	0	0	0	112.6	Q202 L208 L209	Q202-L206 PolarHBondContact O-N 2.88Å; Q202-L206 VanDerWaalsContact O-N 3.15Å; L206-L208 PolarHBondContact O-N 3.02Å; L206-L209 PolarHBondContact O-N 3.27Å
207	M	33.2	Very low	33.9	Very low	139 Å²	139	136.8 Å²	136.8	69%	0.685	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-14.8	-179.9	-71.4	-172.5	71	0	0	114.7	L203 A205	L203-M207 PolarHBondContact O-N 2.99Å; A205-M207 PolarHBondContact O-N 2.84Å
208	L	33.2	Very low	35.1	Very low	144 Å²	144	133.1 Å²	133.1	75%	0.754	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-5.4	-179.5	-72.5	171.1	0	0	0	113.5	M204 A205 L206	M204-L208 WeakPolarHBondContact O-CG 3.48Å; A205-L208 PolarHBondContact O-N 3.17Å; L206-L208 PolarHBondContact O-N 3.02Å
209	L	31.2	Very low	36.2	Very low	150 Å²	150	130.1 Å²	130.1	79%	0.785	69%	0.685	S	S	*	*	S	Bend	trans	-100.9	1	-177.4	-70.1	169.4	0	0	0	114.1	L206	L206-L209 PolarHBondContact O-N 3.27Å
210	T	31.3	Very low	37.5	Very low	120 Å²	120	130.8 Å²	130.8	74%	0.736	68%	0.679	S	S	*	*	S	Bend	trans	-122	22.8	-173.1	67.1	0	0	0	0	114.1
211	A	27.3	Very low	38.9	Very low	88 Å²	88	128 Å²	128	73%	0.727	67%	0.674	S	S	*	*			trans	-113.8	95.5	-179	0	0	0	0	0	111.4
212	Q	31.4	Very low	40.2	Very low	180 Å²	180	124.6 Å²	124.6	84%	0.841	66%	0.658	S	S	*	*			trans	-76.2	154.5	164.6	-77.6	-174.1	-14.4	0	0	110.8
213	P	34.6	Very low	41.4	Very low	127 Å²	127	119 Å²	119	83%	0.825	64%	0.637	S	S	*	*			trans	-70.6	144.1	176.4	30.3	-34.7	0	0	0	111.4
214	Q	32.9	Very low	42.8	Very low	187 Å²	187	117 Å²	117	87%	0.874	63%	0.629	S	S	*	*			trans	-106.9	164.7	171.9	-73.8	-171.2	-54.1	0	0	111.7
215	E	39.5	Very low	43.9	Very low	186 Å²	186	115.3 Å²	115.3	87%	0.869	63%	0.63	S	S	*	*			trans	-91.6	-175.7	-149.1	-65.6	159.7	107.7	0	0	115.5
216	L	45.5	Very low	45.7	Very low	147 Å²	147	116.5 Å²	116.5	77%	0.77	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-71.6	136.3	176.5	-67.4	162.4	0	0	0	111.1
217	V	44.4	Very low	47.3	Very low	89 Å²	89	114.1 Å²	114.1	54%	0.539	62%	0.615	S	S	.	*	P	Polyproline II helix	trans	-79.4	123.3	176.2	177.5	0	0	0	0	110.3	E221 V222	V217-E221 WeakPolarHBondContact CA-OE2 3.37Å; V217-V222 HydrophobicContact CG1-CG2 3.74Å
218	M	53.3	Low	48.5	Very low	111 Å²	111	112.5 Å²	112.5	55%	0.547	62%	0.618	S	S	.	*	P	Polyproline II helix	trans	-90.2	156.6	-177.2	-65.7	-61	-68.8	0	0	112.2	E220 E221	M218-E220 VanDerWaalsContact C-N 3.28Å; M218-E220 PolarHBondContact O-N 2.96Å; M218-E221 HydrophobicContact CB-CG 4.4Å; M218-E221 PolarHBondContact N-OE2 3.37Å; M218-E221 PolarHBondContact O-N 3.22Å
219	F	51.1	Low	49.7	Very low	40 Å²	40	113.3 Å²	113.3	18%	0.175	62%	0.618	C	S	.	*	T	Hydrogen-bonded Turn	trans	-66.6	-31.5	-176.4	178.5	-110.3	0	0	0	112.5	E221 V222 S223 N249 Y250 V253	F219-E221 VanDerWaalsContact C-N 3.28Å; F219-E221 PolarHBondContact O-N 3.21Å; F219-V222 CarbonylContact O-C 3.54Å; F219-V222 PolarHBondContact O-N 3.32Å; F219-V222 VanDerWaalsContact O-N 3.15Å; F219-S223 PolarHBondContact O-N 2.85Å; F219-N249 HydrophobicContact CE2-CB 4.41Å; F219-Y250 HydrophobicContact CD1-CD2 4.39Å; F219-Y250 AromaticContact CD2-CD2 3.9Å; F219-Y250 HydrophobicContact CD2-CD2 3.9Å; F219-Y250 HydrophobicContact CE1-CD2 4.45Å; F219-Y250 AromaticContact CE2-CD2 3.98Å; F219-Y250 HydrophobicContact CE2-CD2 3.98Å; F219-Y250 HydrophobicContact CE2-CG 4.33Å; F219-Y250 HydrophobicContact CG-CD2 4.13Å; F219-Y250 HydrophobicContact CZ-CD2 4.27Å; F219-V253 HydrophobicContact CD2-CG2 4.39Å
220	E	57.6	Low	51.3	Low	118 Å²	118	110.7 Å²	110.7	55%	0.551	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-53.1	-43.8	173.9	-73.3	62.6	-146.1	0	0	111.5	M218 V222 S223	M218-E220 VanDerWaalsContact C-N 3.28Å; M218-E220 PolarHBondContact O-N 2.96Å; E220-V222 VanDerWaalsContact C-N 3.26Å; E220-V222 PolarHBondContact O-N 3.07Å; E220-S223 WeakPolarHBondContact O-CB 3.48Å; E220-S223 PolarHBondContact O-N 3.3Å; E220-S223 PolarHBondContact O-OG 3.24Å
221	E	61.2	Low	53.2	Low	137 Å²	137	108.4 Å²	108.4	64%	0.64	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-69.2	-21	-178.3	-54.7	-178.8	107.1	0	0	113.7	V217 M218 F219	V217-E221 WeakPolarHBondContact CA-OE2 3.37Å; M218-E221 HydrophobicContact CB-CG 4.4Å; M218-E221 PolarHBondContact N-OE2 3.37Å; M218-E221 PolarHBondContact O-N 3.22Å; F219-E221 VanDerWaalsContact C-N 3.28Å; F219-E221 PolarHBondContact O-N 3.21Å
222	V	61.4	Low	54.9	Low	52 Å²	52	107.5 Å²	107.5	32%	0.315	57%	0.572	S	S	.	*	G	3₁₀ helix	trans	-109.2	7	179	-154.2	0	0	0	0	111.4	V217 F219 E220 N249 V253	V217-V222 HydrophobicContact CG1-CG2 3.74Å; F219-V222 CarbonylContact O-C 3.54Å; F219-V222 PolarHBondContact O-N 3.32Å; F219-V222 VanDerWaalsContact O-N 3.15Å; E220-V222 VanDerWaalsContact C-N 3.26Å; E220-V222 PolarHBondContact O-N 3.07Å; V222-N249 HydrophobicContact CG1-CB 4.44Å; V222-N249 PolarHBondContact O-ND2 3.5Å; V222-V253 HydrophobicContact CB-CG2 4.44Å; V222-V253 HydrophobicContact CG2-CG2 4.13Å
223	S	62.8	Low	56.6	Low	39 Å²	39	104.2 Å²	104.2	27%	0.273	57%	0.567	S	S	.	*			trans	-88.1	154.3	172.4	80.8	0	0	0	0	110.7	F219 E220	F219-S223 PolarHBondContact O-N 2.85Å; E220-S223 WeakPolarHBondContact O-CB 3.48Å; E220-S223 PolarHBondContact O-N 3.3Å; E220-S223 PolarHBondContact O-OG 3.24Å
224	V	63	Low	58.3	Low	82 Å²	82	99.6 Å²	99.6	50%	0.497	54%	0.536	S	S	.	.			trans	-124.9	123.2	168.8	177.7	0	0	0	0	105.9	Y242 M246	V224-Y242 VanDerWaalsContact O-CE2 3.24Å; V224-Y242 WeakPolarHBondContact O-CE2 3.38Å; V224-Y242 PolarHBondContact O-OH 3.1Å; V224-M246 HydrophobicContact CB-CE 4.28Å; V224-M246 HydrophobicContact CG2-CE 4.37Å
225	C	58	Low	59.8	Low	103 Å²	103	91.9 Å²	91.9	70%	0.696	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-103.8	140.2	177.3	-61.4	0	0	0	0	110.3
226	F	72.2	Confident	60.8	Low	81 Å²	81	88.2 Å²	88.2	36%	0.355	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-101.1	145.9	166	-71.1	-71.4	0	0	0	109.2	E230 W231 L234 Y242	F226-E230 HydrophobicContact CB-CB 4.22Å; F226-E230 HydrophobicContact CD1-CB 4Å; F226-W231 HydrophobicContact CB-CB 4.37Å; F226-W231 HydrophobicContact CB-CE3 4.32Å; F226-W231 AromaticContact CD2-CE3 3.97Å; F226-W231 HydrophobicContact CD2-CE3 3.97Å; F226-W231 HydrophobicContact CD2-CZ3 4.22Å; F226-L234 HydrophobicContact CD2-CD1 3.82Å; F226-L234 HydrophobicContact CE1-CD1 4.5Å; F226-L234 HydrophobicContact CE2-CD1 3.71Å; F226-L234 HydrophobicContact CG-CD1 4.27Å; F226-L234 HydrophobicContact CZ-CD1 4.07Å; F226-Y242 AromaticContact CD2-CD2 3.91Å; F226-Y242 HydrophobicContact CD2-CD2 3.91Å; F226-Y242 AromaticContact CD2-CE2 3.81Å; F226-Y242 HydrophobicContact CD2-CE2 3.81Å; F226-Y242 AromaticContact CE2-CD2 3.62Å; F226-Y242 HydrophobicContact CE2-CD2 3.62Å; F226-Y242 AromaticContact CE2-CE2 3.93Å; F226-Y242 HydrophobicContact CE2-CE2 3.93Å; F226-Y242 HydrophobicContact CE2-CG 4.48Å
227	T	67.6	Low	61.1	Low	76 Å²	76	88.2 Å²	88.2	47%	0.466	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-65.3	163.1	165.4	61.7	0	0	0	0	110.9	E229 E230 W231	T227-E229 PolarHBondContact O-N 2.87Å; T227-E230 WeakPolarHBondContact CB-OE2 3.42Å; T227-E230 WeakPolarHBondContact CG2-OE2 3.36Å; T227-E230 PolarHBondContact N-OE2 3.1Å; T227-E230 PolarHBondContact O-N 2.76Å; T227-E230 VanDerWaalsContact OG1-CD 3.32Å; T227-E230 VanDerWaalsContact OG1-CG 3.25Å; T227-E230 WeakPolarHBondContact OG1-CG 3.4Å; T227-E230 PolarHBondContact OG1-N 3.23Å; T227-E230 PolarHBondContact OG1-OE2 3.33Å; T227-W231 VanDerWaalsContact O-CB 3.29Å; T227-W231 WeakPolarHBondContact O-CB 3.24Å; T227-W231 PolarHBondContact O-N 3.47Å
228	S	58.6	Low	61.7	Low	106 Å²	106	89 Å²	89	74%	0.741	50%	0.496	S	S	*	.	H	α-helix	trans	-58.9	-35.5	179	-163.3	0	0	0	0	112.4	A232	S228-A232 WeakPolarHBondContact O-CB 3.46Å; S228-A232 PolarHBondContact O-N 3.32Å
229	E	58.8	Low	62.4	Low	161 Å²	161	87.4 Å²	87.4	75%	0.752	48%	0.484	S	S	*	.	H	α-helix	trans	-71.9	-50	-179.7	-66	168.8	-169.1	0	0	111.5	T227 W231 A232 C233	T227-E229 PolarHBondContact O-N 2.87Å; E229-W231 VanDerWaalsContact C-N 3.28Å; E229-W231 PolarHBondContact O-N 3.02Å; E229-A232 WeakPolarHBondContact O-CB 3.38Å; E229-A232 PolarHBondContact O-N 3.05Å; E229-A232 VanDerWaalsContact O-N 3.11Å; E229-C233 PolarHBondContact O-N 2.9Å; E229-C233 PolarHBondContact O-SG 3.33Å
230	E	65.3	Low	62.7	Low	94 Å²	94	87.9 Å²	87.9	44%	0.439	50%	0.495	S	S	.	.	H	α-helix	trans	-59	-41.6	173.2	-68.6	167.7	116.1	0	0	111.5	F226 T227 A232 C233 L234	F226-E230 HydrophobicContact CB-CB 4.22Å; F226-E230 HydrophobicContact CD1-CB 4Å; T227-E230 WeakPolarHBondContact CB-OE2 3.42Å; T227-E230 WeakPolarHBondContact CG2-OE2 3.36Å; T227-E230 PolarHBondContact N-OE2 3.1Å; T227-E230 PolarHBondContact O-N 2.76Å; T227-E230 VanDerWaalsContact OG1-CD 3.32Å; T227-E230 VanDerWaalsContact OG1-CG 3.25Å; T227-E230 WeakPolarHBondContact OG1-CG 3.4Å; T227-E230 PolarHBondContact OG1-N 3.23Å; T227-E230 PolarHBondContact OG1-OE2 3.33Å; E230-A232 VanDerWaalsContact C-N 3.28Å; E230-A232 PolarHBondContact O-N 3.27Å; E230-C233 WeakPolarHBondContact O-CB 3.27Å; E230-C233 PolarHBondContact O-N 3.47Å; E230-C233 VanDerWaalsContact O-N 3.12Å; E230-L234 PolarHBondContact O-N 3.08Å
231	W	70.9	Confident	62.9	Low	73 Å²	73	86.5 Å²	86.5	28%	0.277	49%	0.491	S	S	.	.	H	α-helix	trans	-62.2	-36.3	177.1	-173.5	-101.5	0	0	0	112	F226 T227 E229 C233 L234 R239 Y242 W243	F226-W231 HydrophobicContact CB-CB 4.37Å; F226-W231 HydrophobicContact CB-CE3 4.32Å; F226-W231 AromaticContact CD2-CE3 3.97Å; F226-W231 HydrophobicContact CD2-CE3 3.97Å; F226-W231 HydrophobicContact CD2-CZ3 4.22Å; T227-W231 VanDerWaalsContact O-CB 3.29Å; T227-W231 WeakPolarHBondContact O-CB 3.24Å; T227-W231 PolarHBondContact O-N 3.47Å; E229-W231 VanDerWaalsContact C-N 3.28Å; E229-W231 PolarHBondContact O-N 3.02Å; W231-C233 VanDerWaalsContact C-N 3.32Å; W231-C233 PolarHBondContact O-N 3.41Å; W231-L234 HydrophobicContact CE3-CD1 3.81Å; W231-L234 HydrophobicContact CZ3-CD1 4.12Å; W231-L234 PolarHBondContact O-N 2.91Å; W231-R239 HydrophobicContact CD2-CG 4.49Å; W231-R239 HydrophobicContact CH2-CB 4.02Å; W231-R239 HydrophobicContact CH2-CG 4.03Å; W231-R239 HydrophobicContact CZ2-CB 4.04Å; W231-R239 HydrophobicContact CZ2-CG 3.85Å; W231-R239 HydrophobicContact CZ3-CG 4.42Å; W231-R239 VanDerWaalsContact O-CZ 3.29Å; W231-R239 PolarHBondContact O-NE 2.9Å; W231-R239 PolarHBondContact O-NH2 2.89Å; W231-Y242 AromaticContact CH2-CD1 3.48Å; W231-Y242 HydrophobicContact CH2-CD1 3.48Å; W231-Y242 VanDerWaalsContact CH2-CD1 3.48Å; W231-Y242 AromaticContact CH2-CE1 3.87Å; W231-Y242 HydrophobicContact CH2-CE1 3.87Å; W231-Y242 HydrophobicContact CH2-CG 4.11Å; W231-Y242 AromaticContact CZ3-CD1 3.42Å; W231-Y242 HydrophobicContact CZ3-CD1 3.42Å; W231-Y242 VanDerWaalsContact CZ3-CD1 3.42Å; W231-Y242 HydrophobicContact CZ3-CD2 4.25Å; W231-Y242 AromaticContact CZ3-CE1 3.69Å; W231-Y242 HydrophobicContact CZ3-CE1 3.69Å; W231-Y242 HydrophobicContact CZ3-CE2 4.45Å; W231-Y242 AromaticContact CZ3-CG 3.7Å; W231-Y242 HydrophobicContact CZ3-CG 3.7Å; W231-W243 AromaticContact CH2-NE1 3.94Å
232	A	62.5	Low	63.5	Low	69 Å²	69	82.4 Å²	82.4	57%	0.57	47%	0.47	S	S	*	.	H	α-helix	trans	-63.3	-36.4	174	0	0	0	0	0	112.2	S228 E229 E230 L234 R239	S228-A232 WeakPolarHBondContact O-CB 3.46Å; S228-A232 PolarHBondContact O-N 3.32Å; E229-A232 WeakPolarHBondContact O-CB 3.38Å; E229-A232 PolarHBondContact O-N 3.05Å; E229-A232 VanDerWaalsContact O-N 3.11Å; E230-A232 VanDerWaalsContact C-N 3.28Å; E230-A232 PolarHBondContact O-N 3.27Å; A232-L234 PolarHBondContact O-N 3.16Å; A232-R239 VanDerWaalsContact C-NH2 3.34Å; A232-R239 PolarHBondContact O-NH2 3.31Å
233	C	67.1	Low	63.4	Low	110 Å²	110	87.6 Å²	87.6	74%	0.743	48%	0.484	S	S	*	.	H	α-helix	trans	-72.5	-18.3	176.2	-63.4	0	0	0	0	115	E229 E230 W231	E229-C233 PolarHBondContact O-N 2.9Å; E229-C233 PolarHBondContact O-SG 3.33Å; E230-C233 WeakPolarHBondContact O-CB 3.27Å; E230-C233 PolarHBondContact O-N 3.47Å; E230-C233 VanDerWaalsContact O-N 3.12Å; W231-C233 VanDerWaalsContact C-N 3.32Å; W231-C233 PolarHBondContact O-N 3.41Å
234	L	71.2	Confident	63.3	Low	30 Å²	30	91 Å²	91	16%	0.157	50%	0.5	C	S	.	.	S	Bend	trans	-74.5	126.3	-180	-65.8	-180	0	0	0	112.9	F226 E230 W231 A232 Q238 R239	F226-L234 HydrophobicContact CD2-CD1 3.82Å; F226-L234 HydrophobicContact CE1-CD1 4.5Å; F226-L234 HydrophobicContact CE2-CD1 3.71Å; F226-L234 HydrophobicContact CG-CD1 4.27Å; F226-L234 HydrophobicContact CZ-CD1 4.07Å; E230-L234 PolarHBondContact O-N 3.08Å; W231-L234 HydrophobicContact CE3-CD1 3.81Å; W231-L234 HydrophobicContact CZ3-CD1 4.12Å; W231-L234 PolarHBondContact O-N 2.91Å; A232-L234 PolarHBondContact O-N 3.16Å; L234-Q238 HydrophobicContact CB-CB 4.22Å; L234-Q238 HydrophobicContact CD2-CB 4.14Å; L234-R239 HydrophobicContact CB-CG 3.75Å; L234-R239 PolarHBondContact O-NE 3.41Å; L234-R239 VanDerWaalsContact O-NE 3.08Å; L234-R239 PolarHBondContact O-NH2 3.45Å; L234-R239 VanDerWaalsContact O-NH2 3.09Å
235	G	64.6	Low	63.3	Low	26 Å²	26	89.2 Å²	89.2	27%	0.268	49%	0.489	S	S	.	.			trans	-67.4	160.7	173.9	0	0	0	0	0	113.1	I237 Q238 R239	G235-I237 PolarHBondContact O-N 3.44Å; G235-I237 VanDerWaalsContact O-N 3.09Å; G235-Q238 WeakPolarHBondContact O-CA 3.15Å; G235-Q238 WeakPolarHBondContact O-CB 3.23Å; G235-Q238 PolarHBondContact O-N 2.87Å; G235-R239 PolarHBondContact O-N 3.02Å
236	P	59.5	Low	64.2	Low	109 Å²	109	85.1 Å²	85.1	71%	0.708	46%	0.459	S	S	*	.	H	α-helix	trans	-54.1	-36.7	-174.8	-28.3	35.4	0	0	0	114.6	A240	P236-A240 WeakPolarHBondContact O-CB 3.24Å; P236-A240 PolarHBondContact O-N 3.47Å
237	I	52.5	Low	63.5	Low	147 Å²	147	86.8 Å²	86.8	75%	0.754	47%	0.471	S	S	*	.	H	α-helix	trans	-70.4	-34.1	178.3	-60.1	174.1	0	0	0	111.5	G235 L241	G235-I237 PolarHBondContact O-N 3.44Å; G235-I237 VanDerWaalsContact O-N 3.09Å; I237-L241 WeakPolarHBondContact O-CB 3.37Å; I237-L241 PolarHBondContact O-N 2.79Å
238	Q	56.2	Low	63.1	Low	105 Å²	105	87.1 Å²	87.1	49%	0.491	47%	0.467	S	S	.	.	H	α-helix	trans	-74	-41.5	177	-67.6	165.4	-47.8	0	0	111.1	L234 G235 A240 L241 Y242	L234-Q238 HydrophobicContact CB-CB 4.22Å; L234-Q238 HydrophobicContact CD2-CB 4.14Å; G235-Q238 WeakPolarHBondContact O-CA 3.15Å; G235-Q238 WeakPolarHBondContact O-CB 3.23Å; G235-Q238 PolarHBondContact O-N 2.87Å; Q238-A240 VanDerWaalsContact C-N 3.31Å; Q238-A240 PolarHBondContact O-N 3.13Å; Q238-L241 PolarHBondContact O-N 3.49Å; Q238-Y242 PolarHBondContact O-N 3.23Å
239	R	68.9	Low	63.2	Low	78 Å²	78	84 Å²	84	29%	0.294	44%	0.442	S	S	.	.	H	α-helix	trans	-60.9	-39.5	171.9	-65	-175.3	-175.6	134.3	9.1	111.5	W231 A232 L234 G235 Y242 W243	W231-R239 HydrophobicContact CD2-CG 4.49Å; W231-R239 HydrophobicContact CH2-CB 4.02Å; W231-R239 HydrophobicContact CH2-CG 4.03Å; W231-R239 HydrophobicContact CZ2-CB 4.04Å; W231-R239 HydrophobicContact CZ2-CG 3.85Å; W231-R239 HydrophobicContact CZ3-CG 4.42Å; W231-R239 VanDerWaalsContact O-CZ 3.29Å; W231-R239 PolarHBondContact O-NE 2.9Å; W231-R239 PolarHBondContact O-NH2 2.89Å; A232-R239 VanDerWaalsContact C-NH2 3.34Å; A232-R239 PolarHBondContact O-NH2 3.31Å; L234-R239 HydrophobicContact CB-CG 3.75Å; L234-R239 PolarHBondContact O-NE 3.41Å; L234-R239 VanDerWaalsContact O-NE 3.08Å; L234-R239 PolarHBondContact O-NH2 3.45Å; L234-R239 VanDerWaalsContact O-NH2 3.09Å; G235-R239 PolarHBondContact O-N 3.02Å; R239-Y242 PolarHBondContact O-N 2.9Å; R239-W243 PolarHBondContact O-N 3.35Å
240	A	57.1	Low	63.3	Low	50 Å²	50	77 Å²	77	41%	0.413	41%	0.409	S	S	.	.	H	α-helix	trans	-64.1	-45.2	173.4	0	0	0	0	0	112.6	P236 Q238 Y242 W243 D244	P236-A240 WeakPolarHBondContact O-CB 3.24Å; P236-A240 PolarHBondContact O-N 3.47Å; Q238-A240 VanDerWaalsContact C-N 3.31Å; Q238-A240 PolarHBondContact O-N 3.13Å; A240-Y242 VanDerWaalsContact C-N 3.31Å; A240-Y242 PolarHBondContact O-N 3.2Å; A240-W243 PolarHBondContact O-N 3.27Å; A240-D244 PolarHBondContact O-N 3.06Å
241	L	61.1	Low	63	Low	88 Å²	88	73.8 Å²	73.8	46%	0.461	40%	0.402	S	S	.	.	H	α-helix	trans	-61.3	-38.3	176.7	179.9	63.6	0	0	0	112.4	I237 Q238 D244 V245	I237-L241 WeakPolarHBondContact O-CB 3.37Å; I237-L241 PolarHBondContact O-N 2.79Å; Q238-L241 PolarHBondContact O-N 3.49Å; L241-D244 PolarHBondContact O-N 2.9Å; L241-V245 HydrophobicContact CD1-CG2 4.24Å; L241-V245 WeakPolarHBondContact O-CG2 3.35Å; L241-V245 PolarHBondContact O-N 3.13Å
242	Y	74.5	Confident	62.3	Low	51 Å²	51	74.9 Å²	74.9	20%	0.2	41%	0.413	C	S	.	.	H	α-helix	trans	-59.1	-47.5	173.3	171.2	-93.5	0	0	0	111.9	V224 F226 W231 Q238 R239 A240 D244 V245 M246	V224-Y242 VanDerWaalsContact O-CE2 3.24Å; V224-Y242 WeakPolarHBondContact O-CE2 3.38Å; V224-Y242 PolarHBondContact O-OH 3.1Å; F226-Y242 AromaticContact CD2-CD2 3.91Å; F226-Y242 HydrophobicContact CD2-CD2 3.91Å; F226-Y242 AromaticContact CD2-CE2 3.81Å; F226-Y242 HydrophobicContact CD2-CE2 3.81Å; F226-Y242 AromaticContact CE2-CD2 3.62Å; F226-Y242 HydrophobicContact CE2-CD2 3.62Å; F226-Y242 AromaticContact CE2-CE2 3.93Å; F226-Y242 HydrophobicContact CE2-CE2 3.93Å; F226-Y242 HydrophobicContact CE2-CG 4.48Å; W231-Y242 AromaticContact CH2-CD1 3.48Å; W231-Y242 HydrophobicContact CH2-CD1 3.48Å; W231-Y242 VanDerWaalsContact CH2-CD1 3.48Å; W231-Y242 AromaticContact CH2-CE1 3.87Å; W231-Y242 HydrophobicContact CH2-CE1 3.87Å; W231-Y242 HydrophobicContact CH2-CG 4.11Å; W231-Y242 AromaticContact CZ3-CD1 3.42Å; W231-Y242 HydrophobicContact CZ3-CD1 3.42Å; W231-Y242 VanDerWaalsContact CZ3-CD1 3.42Å; W231-Y242 HydrophobicContact CZ3-CD2 4.25Å; W231-Y242 AromaticContact CZ3-CE1 3.69Å; W231-Y242 HydrophobicContact CZ3-CE1 3.69Å; W231-Y242 HydrophobicContact CZ3-CE2 4.45Å; W231-Y242 AromaticContact CZ3-CG 3.7Å; W231-Y242 HydrophobicContact CZ3-CG 3.7Å; Q238-Y242 PolarHBondContact O-N 3.23Å; R239-Y242 PolarHBondContact O-N 2.9Å; A240-Y242 VanDerWaalsContact C-N 3.31Å; A240-Y242 PolarHBondContact O-N 3.2Å; Y242-D244 PolarHBondContact O-N 3.39Å; Y242-V245 PolarHBondContact O-N 3.42Å; Y242-M246 HydrophobicContact CD1-CG 4.34Å; Y242-M246 HydrophobicContact CD2-CG 4.14Å; Y242-M246 HydrophobicContact CE1-CG 4.06Å; Y242-M246 HydrophobicContact CE2-CG 3.85Å; Y242-M246 HydrophobicContact CE2-SD 4.47Å; Y242-M246 HydrophobicContact CG-CG 4.41Å; Y242-M246 WeakPolarHBondContact O-CB 3.35Å; Y242-M246 WeakPolarHBondContact O-CG 3.28Å; Y242-M246 PolarHBondContact O-N 3.04Å
243	W	58.6	Low	62.3	Low	162 Å²	162	72.7 Å²	72.7	61%	0.614	39%	0.393	S	S	*	.	H	α-helix	trans	-61.8	-42.7	177	-75.6	115.8	0	0	0	112.3	W231 R239 A240 V245 L247	W231-W243 AromaticContact CH2-NE1 3.94Å; R239-W243 PolarHBondContact O-N 3.35Å; A240-W243 PolarHBondContact O-N 3.27Å; W243-V245 PolarHBondContact O-N 3.08Å; W243-L247 VanDerWaalsContact O-CB 3.28Å; W243-L247 WeakPolarHBondContact O-CB 3.37Å; W243-L247 PolarHBondContact O-N 3.26Å
244	D	61	Low	61.4	Low	111 Å²	111	69.2 Å²	69.2	59%	0.594	37%	0.368	S	S	*	.	H	α-helix	trans	-59.6	-45.2	175.1	-80.4	-14.7	0	0	0	111.8	A240 L241 Y242 L247 E248	A240-D244 PolarHBondContact O-N 3.06Å; L241-D244 PolarHBondContact O-N 2.9Å; Y242-D244 PolarHBondContact O-N 3.39Å; D244-L247 PolarHBondContact O-N 3.29Å; D244-E248 PolarHBondContact O-N 2.86Å
245	V	63.2	Low	60.6	Low	44 Å²	44	71.2 Å²	71.2	27%	0.267	38%	0.384	S	S	.	.	H	α-helix	trans	-71	-41.7	-178.6	173	0	0	0	0	112.2	L241 Y242 W243 L247 E248 N249	L241-V245 HydrophobicContact CD1-CG2 4.24Å; L241-V245 WeakPolarHBondContact O-CG2 3.35Å; L241-V245 PolarHBondContact O-N 3.13Å; Y242-V245 PolarHBondContact O-N 3.42Å; W243-V245 PolarHBondContact O-N 3.08Å; V245-L247 PolarHBondContact O-N 2.83Å; V245-E248 PolarHBondContact O-N 3.1Å; V245-N249 PolarHBondContact O-N 2.78Å
246	M	76.9	Confident	59.9	Low	16 Å²	16	75.4 Å²	75.4	8%	0.079	40%	0.4	C	S	.	.	H	α-helix	trans	-69.5	-19.5	175.4	-68.6	-66.1	104.3	0	0	112.8	V224 Y242 Y250	V224-M246 HydrophobicContact CB-CE 4.28Å; V224-M246 HydrophobicContact CG2-CE 4.37Å; Y242-M246 HydrophobicContact CD1-CG 4.34Å; Y242-M246 HydrophobicContact CD2-CG 4.14Å; Y242-M246 HydrophobicContact CE1-CG 4.06Å; Y242-M246 HydrophobicContact CE2-CG 3.85Å; Y242-M246 HydrophobicContact CE2-SD 4.47Å; Y242-M246 HydrophobicContact CG-CG 4.41Å; Y242-M246 WeakPolarHBondContact O-CB 3.35Å; Y242-M246 WeakPolarHBondContact O-CG 3.28Å; Y242-M246 PolarHBondContact O-N 3.04Å; M246-Y250 WeakPolarHBondContact O-CB 3.44Å; M246-Y250 PolarHBondContact O-N 2.85Å
247	L	57.4	Low	58.9	Low	117 Å²	117	75.9 Å²	75.9	61%	0.613	39%	0.393	S	S	*	.	H	α-helix	trans	-81.3	-39.3	169.2	-155.3	75.2	0	0	0	111.8	W243 D244 V245 G251	W243-L247 VanDerWaalsContact O-CB 3.28Å; W243-L247 WeakPolarHBondContact O-CB 3.37Å; W243-L247 PolarHBondContact O-N 3.26Å; D244-L247 PolarHBondContact O-N 3.29Å; V245-L247 PolarHBondContact O-N 2.83Å; L247-G251 PolarHBondContact O-N 3.1Å
248	E	59.8	Low	58	Low	82 Å²	82	77.9 Å²	77.9	38%	0.383	39%	0.391	S	S	.	.	H	α-helix	trans	-63.9	-47.9	174.3	-170.7	165.2	-160	0	0	111	D244 V245 Y250 G251 N252 H466	D244-E248 PolarHBondContact O-N 2.86Å; V245-E248 PolarHBondContact O-N 3.1Å; E248-Y250 PolarHBondContact O-N 2.65Å; E248-G251 PolarHBondContact O-N 3.19Å; E248-N252 PolarHBondContact O-N 3.01Å; E248-N252 VanDerWaalsContact O-N 3.13Å; E248-N252 PolarHBondContact O-ND2 2.82Å; E248-H466 IonicContact OE2-CE1 3.97Å; E248-H466 IonicContact OE2-ND1 3.59Å; E248-H466 PolarHBondContact OE2-ND1 3.03Å
249	N	59.8	Low	56.8	Low	40 Å²	40	79.8 Å²	79.8	21%	0.214	40%	0.4	C	S	.	.	H	α-helix	trans	-57.7	-47	176.2	-76.4	11.7	0	0	0	112.1	F219 V222 V245 G251 N252 V253	F219-N249 HydrophobicContact CE2-CB 4.41Å; V222-N249 HydrophobicContact CG1-CB 4.44Å; V222-N249 PolarHBondContact O-ND2 3.5Å; V245-N249 PolarHBondContact O-N 2.78Å; N249-G251 PolarHBondContact O-N 3Å; N249-N252 WeakPolarHBondContact O-CB 3.47Å; N249-N252 PolarHBondContact O-N 3.39Å; N249-N252 VanDerWaalsContact O-N 3.14Å; N249-V253 PolarHBondContact O-N 2.9Å
250	Y	60.5	Low	55.1	Low	14 Å²	14	81 Å²	81	6%	0.055	42%	0.416	C	S	.	.	H	α-helix	trans	-61.5	-44.1	178.5	-179.2	-97.7	0	0	0	112.7	F219 M246 E248 N252 V253 T254 C375 K377 H388 H392	F219-Y250 HydrophobicContact CD1-CD2 4.39Å; F219-Y250 AromaticContact CD2-CD2 3.9Å; F219-Y250 HydrophobicContact CD2-CD2 3.9Å; F219-Y250 HydrophobicContact CE1-CD2 4.45Å; F219-Y250 AromaticContact CE2-CD2 3.98Å; F219-Y250 HydrophobicContact CE2-CD2 3.98Å; F219-Y250 HydrophobicContact CE2-CG 4.33Å; F219-Y250 HydrophobicContact CG-CD2 4.13Å; F219-Y250 HydrophobicContact CZ-CD2 4.27Å; M246-Y250 WeakPolarHBondContact O-CB 3.44Å; M246-Y250 PolarHBondContact O-N 2.85Å; E248-Y250 PolarHBondContact O-N 2.65Å; Y250-N252 PolarHBondContact O-N 2.79Å; Y250-V253 PolarHBondContact O-N 2.87Å; Y250-T254 HydrophobicContact CD1-CG2 4.31Å; Y250-T254 HydrophobicContact CE1-CG2 3.86Å; Y250-T254 HydrophobicContact CE2-CG2 4.11Å; Y250-T254 PolarHBondContact O-N 3.16Å; Y250-T254 PolarHBondContact O-OG1 3.3Å; Y250-T254 VanDerWaalsContact O-OG1 3.05Å; Y250-C375 HydrophobicContact CE2-CB 4.03Å; Y250-C375 PolarHBondContact OH-SG 3.12Å; Y250-C375 VanDerWaalsContact OH-SG 3.36Å; Y250-K377 HydrophobicContact CD2-CD 4.25Å; Y250-K377 HydrophobicContact CE2-CD 4.13Å; Y250-H388 AromaticContact CE1-CE1 3.76Å; Y250-H388 AromaticContact CZ-CE1 3.78Å; Y250-H388 PolarHBondContact OH-CE1 3.43Å; Y250-H392 AromaticContact CZ-NE2 3.79Å; Y250-H392 PolarHBondContact OH-NE2 3.48Å
251	G	59.3	Low	53.9	Low	28 Å²	28	86.7 Å²	86.7	29%	0.289	44%	0.436	S	S	.	.	H	α-helix	trans	-61.3	-29.8	176.2	0	0	0	0	0	112.9	L247 E248 N249 S255	L247-G251 PolarHBondContact O-N 3.1Å; E248-G251 PolarHBondContact O-N 3.19Å; N249-G251 PolarHBondContact O-N 3Å; G251-S255 WeakPolarHBondContact O-CB 3.47Å; G251-S255 PolarHBondContact O-N 2.92Å; G251-S255 PolarHBondContact O-OG 3.18Å
252	N	57.7	Low	52.6	Low	96 Å²	96	87.6 Å²	87.6	51%	0.513	45%	0.445	S	S	.	.	H	α-helix	trans	-73.2	-46.8	174.2	-64.2	-44.9	0	0	0	111.8	E248 N249 Y250 S255	E248-N252 PolarHBondContact O-N 3.01Å; E248-N252 VanDerWaalsContact O-N 3.13Å; E248-N252 PolarHBondContact O-ND2 2.82Å; N249-N252 WeakPolarHBondContact O-CB 3.47Å; N249-N252 PolarHBondContact O-N 3.39Å; N249-N252 VanDerWaalsContact O-N 3.14Å; Y250-N252 PolarHBondContact O-N 2.79Å; N252-S255 WeakPolarHBondContact O-CB 3.4Å; N252-S255 PolarHBondContact O-N 3.46Å; N252-S255 VanDerWaalsContact O-N 3.12Å
253	V	61.3	Low	50.5	Low	23 Å²	23	92.9 Å²	92.9	14%	0.139	47%	0.472	C	S	.	.	H	α-helix	trans	-59.7	-51.4	178.1	176.1	0	0	0	0	110.7	F219 V222 N249 Y250 S255 L256	F219-V253 HydrophobicContact CD2-CG2 4.39Å; V222-V253 HydrophobicContact CB-CG2 4.44Å; V222-V253 HydrophobicContact CG2-CG2 4.13Å; N249-V253 PolarHBondContact O-N 2.9Å; Y250-V253 PolarHBondContact O-N 2.87Å; V253-S255 PolarHBondContact O-N 2.9Å; V253-L256 WeakPolarHBondContact O-CB 3.38Å; V253-L256 PolarHBondContact O-N 2.94Å
254	T	47.8	Very low	49.3	Very low	37 Å²	37	92.4 Å²	92.4	23%	0.227	48%	0.481	C	S	.	.	H	α-helix	trans	-67.6	-4.6	178	58.8	0	0	0	0	114.4	Y250	Y250-T254 HydrophobicContact CD1-CG2 4.31Å; Y250-T254 HydrophobicContact CE1-CG2 3.86Å; Y250-T254 HydrophobicContact CE2-CG2 4.11Å; Y250-T254 PolarHBondContact O-N 3.16Å; Y250-T254 PolarHBondContact O-OG1 3.3Å; Y250-T254 VanDerWaalsContact O-OG1 3.05Å
255	S	54.3	Low	47.8	Very low	71 Å²	71	96 Å²	96	50%	0.497	49%	0.494	S	S	.	.	H	α-helix	trans	-89.1	-18.8	171.6	-63.9	0	0	0	0	112.8	G251 N252 V253	G251-S255 WeakPolarHBondContact O-CB 3.47Å; G251-S255 PolarHBondContact O-N 2.92Å; G251-S255 PolarHBondContact O-OG 3.18Å; N252-S255 WeakPolarHBondContact O-CB 3.4Å; N252-S255 PolarHBondContact O-N 3.46Å; N252-S255 VanDerWaalsContact O-N 3.12Å; V253-S255 PolarHBondContact O-N 2.9Å
256	L	50.5	Low	46	Very low	114 Å²	114	103 Å²	103	60%	0.597	53%	0.525	S	S	*	.	H	α-helix	trans	-80.6	-34.8	-177.8	-64.8	170	0	0	0	112.1	V253 W258 E259	V253-L256 WeakPolarHBondContact O-CB 3.38Å; V253-L256 PolarHBondContact O-N 2.94Å; L256-W258 PolarHBondContact O-N 3.4Å; L256-E259 PolarHBondContact O-N 3.46Å
257	E	37.6	Very low	43.6	Very low	119 Å²	119	108.6 Å²	108.6	56%	0.556	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	-20.3	176.7	-63.9	175.9	106.1	0	0	113.7	T260	E257-T260 PolarHBondContact O-OG1 3.15Å
258	W	33.5	Very low	42.1	Very low	189 Å²	189	109.5 Å²	109.5	72%	0.716	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-20.5	-177.1	-165	-81.3	0	0	0	113.5	L256	L256-W258 PolarHBondContact O-N 3.4Å
259	E	32.9	Very low	40.5	Very low	146 Å²	146	110.8 Å²	110.8	68%	0.682	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-21.3	-178.5	-65.8	-167.6	146.5	0	0	112.9	L256 T262	L256-E259 PolarHBondContact O-N 3.46Å; E259-T262 PolarHBondContact O-OG1 2.78Å
260	T	31.2	Very low	39.1	Very low	102 Å²	102	118.3 Å²	118.3	63%	0.626	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-18.9	-176.8	49.2	0	0	0	0	115.1	E257	E257-T260 PolarHBondContact O-OG1 3.15Å
261	M	33	Very low	37.8	Very low	171 Å²	171	123.7 Å²	123.7	84%	0.842	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	4.8	-177.7	-68.8	-159.7	168.3	0	0	114.8
262	T	33.8	Very low	36.1	Very low	106 Å²	106	127.2 Å²	127.2	65%	0.65	68%	0.676	S	S	*	*	S	Bend	trans	-110.9	6	-176.2	49.2	0	0	0	0	116	E259	E259-T262 PolarHBondContact O-OG1 2.78Å
263	E	30.8	Very low	34.6	Very low	162 Å²	162	127.9 Å²	127.9	76%	0.757	69%	0.688	S	S	*	*	S	Bend	trans	-104.4	-0.6	-179.2	-62.9	-159.9	136.9	0	0	114.9
264	N	33.3	Very low	32.8	Very low	152 Å²	152	131.8 Å²	131.8	81%	0.813	72%	0.716	S	S	*	*			trans	-110.8	38	-172.1	-80.4	-8.8	0	0	0	115.9
265	E	28.3	Very low	31.7	Very low	186 Å²	186	139.2 Å²	139.2	87%	0.869	75%	0.748	S	S	*	*	S	Bend	trans	-132.7	118.4	156.9	-78.7	-161.1	147.7	0	0	112.8
266	E	25.7	Very low	30.4	Very low	193 Å²	193	147.7 Å²	147.7	90%	0.902	77%	0.769	S	S	*	*			trans	58.2	122.3	162.8	-56.9	-154.6	132	0	0	122.4
267	V	27.2	Very low	29.1	Very low	132 Å²	132	147 Å²	147	80%	0.8	78%	0.78	S	S	*	*			trans	-134.7	154.8	162.1	170.2	0	0	0	0	108.3
268	T	25	Very low	28.5	Very low	137 Å²	137	148.7 Å²	148.7	84%	0.84	79%	0.793	S	S	*	*			trans	82.1	150.2	-174.5	81.7	0	0	0	0	114.3
269	S	27.6	Very low	28.2	Very low	109 Å²	109	144.5 Å²	144.5	76%	0.762	79%	0.793	S	S	*	*			cis	-139.6	178.2	8.4	64.9	0	0	0	0	113.3
270	K	30.1	Very low	27.9	Very low	197 Å²	197	145.8 Å²	145.8	86%	0.857	80%	0.798	S	S	*	*			trans	-123.5	152.6	167.2	-70.7	-177.5	178.6	176.9	0	108.8
271	P	32.6	Very low	27.6	Very low	128 Å²	128	150.8 Å²	150.8	83%	0.831	81%	0.811	S	S	*	*				-132.1	-141	105.2	37.5	-27.2	0	0	0	113.2
272	S	25	Very low	27.1	Very low	102 Å²	102	146.1 Å²	146.1	71%	0.713	81%	0.807	S	S	*	*			trans	-138.5	152.9	-143.9	55.6	0	0	0	0	118.3
273	S	24.3	Very low	26.6	Very low	110 Å²	110	147.6 Å²	147.6	77%	0.769	82%	0.816	S	S	*	*			trans	68.6	124.5	145.7	59.5	0	0	0	0	122.3
274	S	24.1	Very low	26.1	Very low	104 Å²	104	144.5 Å²	144.5	73%	0.727	81%	0.812	S	S	*	*			trans	122	138.1	133.3	-154.7	0	0	0	0	118.4
275	Q	25.5	Very low	25.7	Very low	194 Å²	194	146.1 Å²	146.1	91%	0.907	81%	0.812	S	S	*	*			trans	65	174.6	160	-77.9	176.2	-4.6	0	0	121.2
276	R	25.9	Very low	25.5	Very low	248 Å²	248	147.3 Å²	147.3	94%	0.936	81%	0.809	S	S	*	*			trans	-111	150.2	-167.8	-57.3	172.2	176	167.9	-3.5	110.8
277	A	23.8	Very low	25.4	Very low	100 Å²	100	144.2 Å²	144.2	83%	0.826	80%	0.798	S	S	*	*			trans	174.9	172	134.6	0	0	0	0	0	111.3
278	D	24.8	Very low	25.1	Very low	154 Å²	154	145.7 Å²	145.7	82%	0.824	80%	0.796	S	S	*	*			trans	-90.5	157.7	-163.8	-56.1	-82.3	0	0	0	117.2
279	S	27.2	Very low	24.9	Very low	102 Å²	102	142.9 Å²	142.9	71%	0.713	79%	0.794	S	S	*	*			trans	69.2	139.2	139.2	-79.6	0	0	0	0	125.1
280	H	26.6	Very low	24.6	Very low	172 Å²	172	142.2 Å²	142.2	80%	0.796	79%	0.789	S	S	*	*			trans	70.9	104.5	149.5	-67.2	-49.9	0	0	0	123.2
281	K	24.7	Very low	24.3	Very low	207 Å²	207	138.9 Å²	138.9	90%	0.9	79%	0.785	S	S	*	*				55.2	105.4	115.3	-167.3	-173.6	-177	-173.8	0	119.1
282	G	23	Very low	24.1	Very low	73 Å²	73	138.3 Å²	138.3	75%	0.753	78%	0.781	S	S	*	*			trans	-158.4	158.2	165.7	0	0	0	0	0	112.9
283	T	22.5	Very low	24	Very low	138 Å²	138	141.5 Å²	141.5	85%	0.847	79%	0.785	S	S	*	*			trans	-137.8	139.1	-166.2	50.5	0	0	0	0	116.5
284	S	22.2	Very low	23.9	Very low	96 Å²	96	141.2 Å²	141.2	67%	0.671	78%	0.778	S	S	*	*			trans	79.1	137.4	145.4	-123.5	0	0	0	0	121.8
285	K	24.7	Very low	23.8	Very low	187 Å²	187	143.5 Å²	143.5	81%	0.813	78%	0.782	S	S	*	*			trans	70.4	152.3	144.1	-74.3	168	-176.6	177.7	0	118.7
286	R	23.1	Very low	23.7	Very low	210 Å²	210	139.6 Å²	139.6	79%	0.792	77%	0.767	S	S	*	*			cis	-174	173.1	-18.4	-167.3	-172.8	-168.9	-163.4	5.8	107.9
287	L	23.2	Very low	23.4	Very low	129 Å²	129	135.8 Å²	135.8	68%	0.675	76%	0.758	S	S	*	*			trans	80.4	152	160.2	-54.2	178.6	0	0	0	116.7
288	Q	21.7	Very low	23.3	Very low	163 Å²	163	139 Å²	139	76%	0.762	76%	0.755	S	S	*	*			cis	-170.3	154.1	-23.6	177.8	168.9	13	0	0	108.9
289	G	20.7	Very low	23.2	Very low	77 Å²	77	140.5 Å²	140.5	79%	0.794	76%	0.757	S	S	*	*			trans	-178.6	114.4	170.7	0	0	0	0	0	113.3
290	S	21	Very low	22.9	Very low	96 Å²	96	144 Å²	144	67%	0.671	76%	0.762	S	S	*	*			trans	-100.3	148.6	-176.9	-28.4	0	0	0	0	110.9
291	V	23.2	Very low	22.7	Very low	126 Å²	126	140.7 Å²	140.7	76%	0.764	76%	0.758	S	S	*	*				54.8	118.1	87.4	-171.7	0	0	0	0	113.7
292	P	29.3	Very low	22.4	Very low	116 Å²	116	138 Å²	138	75%	0.753	75%	0.748	S	S	*	*				-113.9	141.1	99.7	-7.4	27.6	0	0	0	112.6
293	Q	22.4	Very low	22.3	Very low	169 Å²	169	143.3 Å²	143.3	79%	0.79	75%	0.746	S	S	*	*				67.7	122.2	85.5	-67.8	-176.7	-52	0	0	114.5
294	V	22.3	Very low	22.2	Very low	104 Å²	104	143.5 Å²	143.5	63%	0.63	74%	0.737	S	S	*	*			cis	98.8	134	35.4	166.3	0	0	0	0	112.3	D296	V294-D296 WeakPolarHBondContact CG1-OD1 3.22Å; V294-D296 WeakPolarHBondContact CG1-OD2 3.37Å
295	L	22.4	Very low	22.1	Very low	152 Å²	152	144.4 Å²	144.4	80%	0.796	74%	0.739	S	S	*	*			trans	171.9	149.8	144.7	-92.6	176.9	0	0	0	108.4	F297	L295-F297 HydrophobicContact CD2-CE2 4.5Å
296	D	23.1	Very low	21.9	Very low	113 Å²	113	143.2 Å²	143.2	60%	0.604	74%	0.74	S	S	*	*				-175.7	-161.9	-59.4	-91.7	-20.3	0	0	0	107.3	V294	V294-D296 WeakPolarHBondContact CG1-OD1 3.22Å; V294-D296 WeakPolarHBondContact CG1-OD2 3.37Å
297	F	19.7	Very low	21.8	Very low	168 Å²	168	137.1 Å²	137.1	74%	0.737	74%	0.735	S	S	*	*			trans	74.9	134.4	175.6	-64.6	-111.4	0	0	0	114.9	L295	L295-F297 HydrophobicContact CD2-CE2 4.5Å
298	E	21.6	Very low	21.8	Very low	166 Å²	166	136.4 Å²	136.4	78%	0.776	74%	0.741	S	S	*	*			cis	-157	179.3	-9.4	-116.6	165.2	-179.7	0	0	106.3
299	E	22.8	Very low	21.9	Very low	186 Å²	186	137.8 Å²	137.8	87%	0.869	75%	0.747	S	S	*	*			cis	-138.2	-150.8	15.3	-157.6	-177.4	171.3	0	0	109.7
300	E	21.7	Very low	21.8	Very low	175 Å²	175	146.1 Å²	146.1	82%	0.818	76%	0.755	S	S	*	*			trans	-149.3	-174.1	-156.2	-146.1	173.2	-145	0	0	117
301	C	20.5	Very low	21.8	Very low	104 Å²	104	144.8 Å²	144.8	70%	0.703	76%	0.756	S	S	*	*			trans	73.9	158.7	159.4	-70	0	0	0	0	120.5
302	E	20.4	Very low	21.8	Very low	150 Å²	150	145.7 Å²	145.7	70%	0.701	76%	0.757	S	S	*	*			cis	-176.2	170.5	-37	-122.3	-165.3	-173.5	0	0	107.7
303	W	19.9	Very low	21.5	Very low	184 Å²	184	148.7 Å²	148.7	70%	0.697	76%	0.76	S	S	*	*			cis	-164.4	168.3	-10.8	-144.9	166.8	0	0	0	110.9
304	Q	19.6	Very low	21.4	Very low	143 Å²	143	146.6 Å²	146.6	67%	0.668	76%	0.759	S	S	*	*			trans	57.2	-179	148.5	-79.2	177	52.8	0	0	120.4
305	V	19.9	Very low	21.5	Very low	115 Å²	115	148.4 Å²	148.4	70%	0.697	77%	0.765	S	S	*	*				-155.4	174.3	-59.3	134.5	0	0	0	0	108.5
306	L	21.7	Very low	21.4	Very low	161 Å²	161	147 Å²	147	84%	0.843	76%	0.755	S	S	*	*			trans	82.3	152.4	179.5	-52.3	-177.7	0	0	0	116.6
307	A	21.6	Very low	21.4	Very low	83 Å²	83	151.5 Å²	151.5	69%	0.686	76%	0.763	S	S	*	*			cis	140.8	138.2	-28.1	0	0	0	0	0	112.3
308	S	23.1	Very low	21.5	Very low	114 Å²	114	147.2 Å²	147.2	80%	0.797	76%	0.759	S	S	*	*			trans	141	145.9	166.8	49	0	0	0	0	110.1
309	Q	23	Very low	21.5	Very low	192 Å²	192	146.3 Å²	146.3	90%	0.897	76%	0.76	S	S	*	*			cis	-146.6	174.2	-4.5	-133.2	171.4	-0.7	0	0	112.8
310	W	18.5	Very low	21.5	Very low	252 Å²	252	143.2 Å²	143.2	96%	0.955	75%	0.754	S	S	*	*			trans	-76	160.7	178.9	-141.6	-78.3	0	0	0	112.1
311	G	21.3	Very low	21.8	Very low	67 Å²	67	140.3 Å²	140.3	69%	0.691	75%	0.748	S	S	*	*			trans	160.8	108.7	162.1	0	0	0	0	0	115.8
312	N	24	Very low	22.2	Very low	146 Å²	146	144.1 Å²	144.1	78%	0.781	75%	0.752	S	S	*	*			trans	-105.9	164.2	159.3	-65.7	-43	0	0	0	108.7
313	E	21.7	Very low	22.5	Very low	178 Å²	178	147.3 Å²	147.3	83%	0.832	76%	0.764	S	S	*	*			trans	166.8	126.6	139.1	-88.4	157.1	-155.5	0	0	106.5
314	T	21.8	Very low	22.8	Very low	125 Å²	125	141.7 Å²	141.7	77%	0.767	76%	0.763	S	S	*	*				51.6	136.7	74.8	57.2	0	0	0	0	113.3
315	D	22.4	Very low	23.1	Very low	142 Å²	142	140.7 Å²	140.7	76%	0.759	77%	0.772	S	S	*	*			cis	-158.2	-171.1	26.4	-153	-8.1	0	0	0	113.9
316	E	22.3	Very low	23.2	Very low	123 Å²	123	143.4 Å²	143.4	58%	0.575	78%	0.782	S	S	*	*			trans	72	103.2	148.2	-69.6	-100.5	110.1	0	0	122.1
317	R	22.6	Very low	23.3	Very low	207 Å²	207	141.4 Å²	141.4	78%	0.781	78%	0.779	S	S	*	*				92.2	146.5	102.4	-163.5	167.1	-167.6	160.6	5.1	123.9
318	A	21.3	Very low	23.6	Very low	79 Å²	79	144 Å²	144	65%	0.653	78%	0.778	S	S	*	*			trans	68	99.2	154.5	0	0	0	0	0	123.5
319	D	22.6	Very low	24	Very low	146 Å²	146	148 Å²	148	78%	0.781	78%	0.775	S	S	*	*				56.5	138.5	107	-85.6	-55	0	0	0	125.8
320	T	22.8	Very low	24.5	Very low	122 Å²	122	144 Å²	144	75%	0.748	76%	0.76	S	S	*	*			trans	71.7	152.5	143.8	56	0	0	0	0	122.2
321	V	26.1	Very low	25	Very low	114 Å²	114	139.9 Å²	139.9	69%	0.691	75%	0.748	S	S	*	*			cis	-165.1	148.4	-38.2	107.1	0	0	0	0	112.6
322	K	30.1	Very low	25.6	Very low	184 Å²	184	145.1 Å²	145.1	80%	0.8	75%	0.752	S	S	*	*			trans	34.2	132.1	157.9	-58.2	166.8	-173.7	169.5	0	122.7
323	K	26.9	Very low	25.7	Very low	217 Å²	217	146.8 Å²	146.8	94%	0.943	75%	0.753	S	S	*	*				-179.8	158.9	111.2	-97.4	167.8	-179.8	177.7	0	108.7
324	G	25.4	Very low	25.9	Very low	66 Å²	66	149.3 Å²	149.3	68%	0.68	75%	0.754	S	S	*	*			cis	176.8	123.6	-8.9	0	0	0	0	0	108
325	S	25.5	Very low	26	Very low	121 Å²	121	149.6 Å²	149.6	85%	0.846	76%	0.756	S	S	*	*				79.9	110.6	87.8	175.7	0	0	0	0	116.6
326	L	22.6	Very low	26.8	Very low	173 Å²	173	148.2 Å²	148.2	91%	0.906	76%	0.755	S	S	*	*				-158.9	155.8	125.9	-156.3	59.7	0	0	0	111.8
327	C	23.5	Very low	27.5	Very low	118 Å²	118	147.4 Å²	147.4	80%	0.797	76%	0.76	S	S	*	*			trans	-166.8	151.4	-178.9	177.9	0	0	0	0	110.2
328	E	28.1	Very low	27.7	Very low	139 Å²	139	144.4 Å²	144.4	65%	0.65	76%	0.755	S	S	*	*			trans	178.3	162.3	151.3	-100.4	-161.4	147.5	0	0	108.6
329	R	31.7	Very low	28	Very low	197 Å²	197	148.8 Å²	148.8	74%	0.743	76%	0.76	S	S	*	*			cis	-156.9	179.3	4.2	-126.6	178.4	-152.9	151.9	22.6	106
330	D	33.4	Very low	28.2	Very low	107 Å²	107	151 Å²	151	57%	0.572	77%	0.765	S	S	*	*			cis	-164.1	175.8	-8	-165.6	15.6	0	0	0	102.9
331	K	29.8	Very low	28.2	Very low	166 Å²	166	147.7 Å²	147.7	72%	0.722	76%	0.756	S	S	*	*			cis	-153.3	116.7	25.4	-79.5	165.2	-175	166.7	0	112.2
332	K	32.6	Very low	28.2	Very low	177 Å²	177	151.7 Å²	151.7	77%	0.77	77%	0.767	S	S	*	*			trans	64.9	150	140.8	-66.5	166.8	-175.4	172.6	0	118.1
333	K	27	Very low	27.9	Very low	182 Å²	182	151.2 Å²	151.2	79%	0.791	77%	0.765	S	S	*	*			cis	-154.4	129.1	15.5	-137.1	172.6	-174.1	-176.1	0	110.9
334	R	26.5	Very low	27.5	Very low	230 Å²	230	150.9 Å²	150.9	87%	0.868	76%	0.758	S	S	*	*			trans	33.3	143.6	139.7	-64.4	-177.9	178.1	179.9	-2.9	120.6
335	T	23.6	Very low	27.3	Very low	131 Å²	131	155.2 Å²	155.2	80%	0.804	76%	0.758	S	S	*	*			cis	-155.6	160.5	22.8	-9.4	0	0	0	0	112.2
336	P	38	Very low	27.5	Very low	113 Å²	113	157.4 Å²	157.4	73%	0.734	76%	0.755	S	S	*	*			trans	-111.4	-161.4	-170.7	45.2	-32.7	0	0	0	112.4
337	P	38.6	Very low	27.5	Very low	106 Å²	106	158.7 Å²	158.7	69%	0.688	75%	0.753	S	S	*	*			cis	-139.5	-158.2	4.6	49.3	-29.4	0	0	0	114
338	E	25	Very low	27.6	Very low	145 Å²	145	156.2 Å²	156.2	68%	0.678	75%	0.747	S	S	*	*			cis	-148.8	-71.1	-6.9	-144.9	167.5	89.3	0	0	117.8
339	K	27.8	Very low	27.3	Very low	170 Å²	170	156.9 Å²	156.9	74%	0.739	76%	0.756	S	S	*	*			trans	-149	159.7	-159.7	-73.3	154.2	-171.7	161.4	0	111.2
340	Q	26.7	Very low	27.5	Very low	193 Å²	193	152.6 Å²	152.6	90%	0.902	76%	0.756	S	S	*	*			cis	-149.3	-160.2	3.5	-133	179.9	4.6	0	0	108.6
341	G	22.8	Very low	27.1	Very low	53 Å²	53	155.9 Å²	155.9	55%	0.546	77%	0.772	S	S	.	*			cis	169.8	175.1	2.3	0	0	0	0	0	111.7
342	Q	26.2	Very low	27	Very low	197 Å²	197	153.4 Å²	153.4	92%	0.921	77%	0.771	S	S	*	*			trans	64.9	134.3	-177.7	-56	-178.4	-5.7	0	0	114.8
343	K	23.5	Very low	26.7	Very low	174 Å²	174	154.8 Å²	154.8	76%	0.757	78%	0.778	S	S	*	*			cis	74.8	113.8	26	-151.8	179.9	-177.2	178.7	0	112.8
344	W	19.7	Very low	26.9	Very low	210 Å²	210	151.5 Å²	151.5	80%	0.795	78%	0.777	S	S	*	*				-174.8	169.6	85.9	-91.7	69.6	0	0	0	107.4
345	K	21.9	Very low	27.2	Very low	157 Å²	157	145.5 Å²	145.5	68%	0.683	77%	0.771	S	S	*	*			cis	-163.5	166.7	-27.3	-178.4	174.7	175.3	-168.8	0	106
346	E	29.2	Very low	27.7	Very low	168 Å²	168	142.5 Å²	142.5	79%	0.785	76%	0.759	S	S	*	*			trans	-66.8	157.6	178.3	-62.6	142.2	120.6	0	0	114.3
347	F	21	Very low	27.9	Very low	200 Å²	200	143 Å²	143	88%	0.877	76%	0.755	S	S	*	*			trans	-127.6	126.2	133.9	-115.9	-78.8	0	0	0	108.4
348	G	26.1	Very low	27.9	Very low	65 Å²	65	140.1 Å²	140.1	67%	0.67	74%	0.737	S	S	*	*			trans	-142.7	135.8	164.4	0	0	0	0	0	107.1
349	D	23	Very low	28.9	Very low	154 Å²	154	140.6 Å²	140.6	82%	0.824	74%	0.739	S	S	*	*			trans	-129.8	139	163.8	-93	-54.3	0	0	0	107.9
350	S	34.2	Very low	29.9	Very low	107 Å²	107	136.4 Å²	136.4	75%	0.748	73%	0.728	S	S	*	*			trans	-125.2	109.3	-169.7	171.9	0	0	0	0	109.6
351	L	25	Very low	30.9	Very low	176 Å²	176	133.1 Å²	133.1	92%	0.921	72%	0.715	S	S	*	*			trans	-85.7	127.6	167.7	-78.8	170.9	0	0	0	110.8
352	T	28.5	Very low	32	Very low	114 Å²	114	137.2 Å²	137.2	70%	0.699	72%	0.723	S	S	*	*			trans	-78.4	149.6	-171.9	46	0	0	0	0	111.9
353	F	25.9	Very low	33.1	Very low	206 Å²	206	129.6 Å²	129.6	90%	0.904	70%	0.698	S	S	*	*			trans	-133.5	100.6	158.4	-127.8	-87.2	0	0	0	108.9
354	S	32.6	Very low	34.4	Very low	112 Å²	112	128.8 Å²	128.8	78%	0.783	71%	0.708	S	S	*	*			trans	-124.1	74.2	-175.7	180	0	0	0	0	110.7
355	S	31.7	Very low	35.9	Very low	105 Å²	105	125.7 Å²	125.7	73%	0.734	70%	0.702	S	S	*	*			trans	-169.5	126.2	163.1	-82.7	0	0	0	0	108.7
356	A	33.6	Very low	37.3	Very low	67 Å²	67	121.1 Å²	121.1	55%	0.554	70%	0.699	S	S	*	*			cis	-127.4	163	-17.5	0	0	0	0	0	108.6
357	I	42.9	Very low	38.4	Very low	125 Å²	125	118.6 Å²	118.6	64%	0.641	69%	0.686	S	S	*	*			trans	-116	102.2	174.6	-59.4	177.9	0	0	0	107.4	E359	I357-E359 PolarHBondContact O-N 3.35Å
358	S	39.2	Very low	40.3	Very low	44 Å²	44	115.5 Å²	115.5	31%	0.308	67%	0.672	S	S	.	*			trans	-72.9	120.9	-174.8	-54	0	0	0	0	112.5	D373	S358-D373 VanDerWaalsContact CB-OD1 3.31Å; S358-D373 WeakPolarHBondContact CB-OD1 3.25Å; S358-D373 PolarHBondContact N-OD1 2.93Å; S358-D373 PolarHBondContact OG-OD1 2.78Å
359	E	46	Very low	42.2	Very low	156 Å²	156	116.3 Å²	116.3	73%	0.729	66%	0.657	S	S	*	*			trans	45.5	123.1	161	-63.2	-174.8	118.9	0	0	120	I357 L361	I357-E359 PolarHBondContact O-N 3.35Å; E359-L361 PolarHBondContact O-N 2.84Å
360	T	47.4	Very low	44.7	Very low	81 Å²	81	111.3 Å²	111.3	50%	0.497	63%	0.627	S	S	.	*			trans	-92.4	88.6	173.7	-56.8	0	0	0	0	111	I362 K368	T360-I362 HydrophobicContact CG2-CG1 4.49Å; T360-I362 PolarHBondContact O-N 2.88Å; T360-K368 HydrophobicContact CG2-CG 4.48Å
361	L	47.8	Very low	46.1	Very low	124 Å²	124	108.8 Å²	108.8	65%	0.649	60%	0.603	S	S	*	*			trans	-71.2	119	169.4	-77.4	169.8	0	0	0	110.8	E359 G363	E359-L361 PolarHBondContact O-N 2.84Å; L361-G363 PolarHBondContact O-N 2.82Å
362	I	47.5	Very low	48.3	Very low	139 Å²	139	100.4 Å²	100.4	71%	0.713	56%	0.559	S	S	*	*			trans	-89.9	98.9	177.2	-57.4	178.1	0	0	0	109	T360	T360-I362 HydrophobicContact CG2-CG1 4.49Å; T360-I362 PolarHBondContact O-N 2.88Å
363	G	49.4	Very low	49.9	Very low	37 Å²	37	97.6 Å²	97.6	38%	0.381	54%	0.54	S	S	.	.			trans	-70.2	155	166.9	0	0	0	0	0	111.9	L361 E365 G366	L361-G363 PolarHBondContact O-N 2.82Å; G363-E365 PolarHBondContact O-N 2.92Å; G363-G366 PolarHBondContact O-N 3.11Å
364	T	49.7	Very low	51.8	Low	158 Å²	158	91.9 Å²	91.9	97%	0.969	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	11.2	-170	45.2	0	0	0	0	117.1
365	E	51.3	Low	53.6	Low	144 Å²	144	87.7 Å²	87.7	67%	0.673	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.3	15.4	173.2	-61.6	-172.8	140.5	0	0	113.2	G363 K367	G363-E365 PolarHBondContact O-N 2.92Å; E365-K367 HydrophobicContact CB-CD 4.21Å; E365-K367 PolarHBondContact O-N 3.24Å; E365-K367 VanDerWaalsContact O-N 3.14Å; E365-K367 IonicContact OE2-NZ 2.69Å; E365-K367 PolarHBondContact OE2-NZ 2.89Å
366	G	50.7	Low	55.1	Low	61 Å²	61	85.9 Å²	85.9	63%	0.629	47%	0.474	S	S	*	.			trans	70.1	10	173.1	0	0	0	0	0	116.1	G363	G363-G366 PolarHBondContact O-N 3.11Å
367	K	54	Low	56.6	Low	116 Å²	116	84.4 Å²	84.4	50%	0.504	46%	0.456	S	S	.	.			trans	-86.8	117.5	-179	-67.8	157.2	-168	167.7	0	109.9	E365 F369	E365-K367 HydrophobicContact CB-CD 4.21Å; E365-K367 PolarHBondContact O-N 3.24Å; E365-K367 VanDerWaalsContact O-N 3.14Å; E365-K367 IonicContact OE2-NZ 2.69Å; E365-K367 PolarHBondContact OE2-NZ 2.89Å; K367-F369 HydrophobicContact CB-CE2 4.17Å; K367-F369 WeakPolarHBondContact O-CD2 3.48Å; K367-F369 VanDerWaalsContact O-CE2 3.31Å; K367-F369 WeakPolarHBondContact O-CE2 3.23Å
368	K	60.5	Low	57.7	Low	135 Å²	135	83.3 Å²	83.3	59%	0.587	45%	0.448	S	S	*	.			trans	-72.9	136.4	177.6	-63.9	-170.9	179	-171.6	0	111.7	T360 Y370	T360-K368 HydrophobicContact CG2-CG 4.48Å; K368-Y370 HydrophobicContact CB-CE2 4.42Å
369	F	66.2	Low	59.4	Low	82 Å²	82	83.2 Å²	83.2	36%	0.36	44%	0.442	S	S	.	.			trans	-117.9	154.6	172.1	-65.7	-92.8	0	0	0	110.7	K367 F379 N380	K367-F369 HydrophobicContact CB-CE2 4.17Å; K367-F369 WeakPolarHBondContact O-CD2 3.48Å; K367-F369 VanDerWaalsContact O-CE2 3.31Å; K367-F369 WeakPolarHBondContact O-CE2 3.23Å; F369-F379 CarbonylContact C-O 3.23Å; F369-F379 WeakPolarHBondContact CA-O 3.04Å; F369-N380 HydrophobicContact CD1-CB 4.21Å; F369-N380 HydrophobicContact CE1-CB 4.02Å
370	Y	74.4	Confident	60.4	Low	48 Å²	48	80.3 Å²	80.3	19%	0.188	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	121.6	-177.6	-51.3	-85	0	0	0	108.9	K368 F379 I382	K368-Y370 HydrophobicContact CB-CE2 4.42Å; Y370-F379 WeakPolarHBondContact CD2-O 3.42Å; Y370-F379 PolarHBondContact N-O 3.18Å; Y370-F379 PolarHBondContact O-N 3.09Å; Y370-I382 HydrophobicContact CD1-CD1 4.25Å; Y370-I382 HydrophobicContact CD1-CG1 3.62Å; Y370-I382 HydrophobicContact CD2-CG1 3.86Å; Y370-I382 HydrophobicContact CE1-CD1 3.72Å; Y370-I382 HydrophobicContact CE1-CG1 3.43Å; Y370-I382 VanDerWaalsContact CE1-CG1 3.43Å; Y370-I382 HydrophobicContact CE2-CG1 3.72Å; Y370-I382 HydrophobicContact CG-CG1 3.83Å; Y370-I382 VanDerWaalsContact CZ-CG1 3.5Å
371	K	63	Low	61.6	Low	55 Å²	55	82 Å²	82	24%	0.239	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	147.2	-177.2	-169.1	176.1	177	-174.6	0	111.4	C376 K377 L385	K371-C376 WeakPolarHBondContact CE-SG 3.29Å; K371-K377 CarbonylContact C-O 3.42Å; K371-L385 VanDerWaalsContact O-CD2 3.24Å; K371-L385 WeakPolarHBondContact O-CD2 3.22Å
372	C	73.1	Confident	62.6	Low	0 Å²	0	79.9 Å²	79.9	0%	0	42%	0.42	C	S	.	.			trans	-93.2	120.2	167.5	-173.6	0	0	0	0	109.6	I374 C375 C376 K377 F379 L385	C372-I374 PolarHBondContact O-N 3.45Å; C372-C375 PolarHBondContact O-N 2.93Å; C372-C375 VanDerWaalsContact SG-SG 3.69Å; C372-C376 WeakPolarHBondContact O-CA 3.37Å; C372-C376 PolarHBondContact O-N 3.18Å; C372-K377 PolarHBondContact N-O 3.02Å; C372-F379 HydrophobicContact CB-CE2 4.18Å; C372-L385 HydrophobicContact CB-CD1 3.56Å
373	D	61	Low	63.7	Low	54 Å²	54	76.3 Å²	76.3	29%	0.289	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-8	-171.1	-35.8	-90.2	0	0	0	112.9	S358 R389	S358-D373 VanDerWaalsContact CB-OD1 3.31Å; S358-D373 WeakPolarHBondContact CB-OD1 3.25Å; S358-D373 PolarHBondContact N-OD1 2.93Å; S358-D373 PolarHBondContact OG-OD1 2.78Å; D373-R389 IonicContact OD2-CZ 3.38Å; D373-R389 IonicContact OD2-NE 3.08Å; D373-R389 PolarHBondContact OD2-NE 3Å; D373-R389 IonicContact OD2-NH2 3.05Å; D373-R389 PolarHBondContact OD2-NH2 2.93Å
374	I	65.1	Low	64.7	Low	87 Å²	87	78.5 Å²	78.5	45%	0.446	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-25.3	178.6	-54.1	173.1	0	0	0	112	C372 H392	C372-I374 PolarHBondContact O-N 3.45Å; I374-H392 HydrophobicContact CD1-CB 3.7Å; I374-H392 HydrophobicContact CG2-CB 4.38Å; I374-H392 VanDerWaalsContact CG2-CE1 3.47Å; I374-H392 WeakPolarHBondContact CG2-CE1 3.48Å; I374-H392 WeakPolarHBondContact CG2-ND1 3.42Å
375	C	70.4	Confident	65.8	Low	24 Å²	24	71.5 Å²	71.5	16%	0.162	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-147.3	16.9	-173.8	67.8	0	0	0	0	114.3	Y250 C372 K377 H388 H392	Y250-C375 HydrophobicContact CE2-CB 4.03Å; Y250-C375 PolarHBondContact OH-SG 3.12Å; Y250-C375 VanDerWaalsContact OH-SG 3.36Å; C372-C375 PolarHBondContact O-N 2.93Å; C372-C375 VanDerWaalsContact SG-SG 3.69Å; C375-K377 PolarHBondContact O-N 3.41Å; C375-H388 PolarHBondContact SG-NE2 3.15Å; C375-H392 VanDerWaalsContact CB-NE2 3.32Å; C375-H392 WeakPolarHBondContact CB-NE2 3.47Å
376	C	64.8	Low	66.7	Low	66 Å²	66	68.4 Å²	68.4	45%	0.446	35%	0.352	S	S	.	.			trans	52.8	11.2	-179.8	-69.2	0	0	0	0	117.7	K371 C372 H378	K371-C376 WeakPolarHBondContact CE-SG 3.29Å; C372-C376 WeakPolarHBondContact O-CA 3.37Å; C372-C376 PolarHBondContact O-N 3.18Å; C376-H378 PolarHBondContact O-CE1 3.01Å; C376-H378 VanDerWaalsContact O-CE1 3.23Å; C376-H378 PolarHBondContact O-ND1 2.75Å
377	K	65.1	Low	67.5	Low	36 Å²	36	67.2 Å²	67.2	16%	0.157	33%	0.331	C	S	.	.			trans	-73.1	134.4	-178.2	-69.7	-165.9	171.7	-165.2	0	113.2	Y250 K371 C372 C375 F379	Y250-K377 HydrophobicContact CD2-CD 4.25Å; Y250-K377 HydrophobicContact CE2-CD 4.13Å; K371-K377 CarbonylContact C-O 3.42Å; C372-K377 PolarHBondContact N-O 3.02Å; C375-K377 PolarHBondContact O-N 3.41Å; K377-F379 HydrophobicContact CB-CE2 3.72Å; K377-F379 HydrophobicContact CB-CZ 3.98Å; K377-F379 WeakPolarHBondContact O-CD2 3.15Å; K377-F379 WeakPolarHBondContact O-CE2 3.45Å
378	H	65.6	Low	68.2	Low	103 Å²	103	62.4 Å²	62.4	48%	0.477	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	131	-176.8	-62.6	89.2	0	0	0	111.8	C376	C376-H378 PolarHBondContact O-CE1 3.01Å; C376-H378 VanDerWaalsContact O-CE1 3.23Å; C376-H378 PolarHBondContact O-ND1 2.75Å
379	F	75.1	Confident	68.5	Low	41 Å²	41	59.9 Å²	59.9	18%	0.18	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	137.4	-178.3	-64	-85.9	0	0	0	111.2	F369 Y370 C372 K377 K381 H384 L385 H388	F369-F379 CarbonylContact C-O 3.23Å; F369-F379 WeakPolarHBondContact CA-O 3.04Å; Y370-F379 WeakPolarHBondContact CD2-O 3.42Å; Y370-F379 PolarHBondContact N-O 3.18Å; Y370-F379 PolarHBondContact O-N 3.09Å; C372-F379 HydrophobicContact CB-CE2 4.18Å; K377-F379 HydrophobicContact CB-CE2 3.72Å; K377-F379 HydrophobicContact CB-CZ 3.98Å; K377-F379 WeakPolarHBondContact O-CD2 3.15Å; K377-F379 WeakPolarHBondContact O-CE2 3.45Å; F379-K381 PolarHBondContact O-N 3.38Å; F379-H384 HydrophobicContact CB-CB 4.17Å; F379-H384 HydrophobicContact CD1-CB 3.82Å; F379-H384 HydrophobicContact CG-CB 4.29Å; F379-L385 HydrophobicContact CB-CB 4.19Å; F379-L385 HydrophobicContact CD2-CB 4Å; F379-L385 HydrophobicContact CD2-CD1 3.98Å; F379-L385 HydrophobicContact CE2-CD1 4.28Å; F379-L385 HydrophobicContact CG-CB 4.24Å; F379-H388 HydrophobicContact CE1-CB 4.09Å; F379-H388 HydrophobicContact CE2-CB 4.05Å; F379-H388 AromaticContact CE2-CD2 3.32Å; F379-H388 WeakPolarHBondContact CE2-CD2 3.45Å; F379-H388 AromaticContact CE2-CG 3.72Å; F379-H388 AromaticContact CE2-NE2 3.88Å; F379-H388 HydrophobicContact CZ-CB 3.64Å; F379-H388 AromaticContact CZ-CD2 3.32Å; F379-H388 WeakPolarHBondContact CZ-CD2 3.48Å; F379-H388 AromaticContact CZ-CE1 3.95Å; F379-H388 AromaticContact CZ-CG 3.27Å; F379-H388 AromaticContact CZ-ND1 3.7Å; F379-H388 AromaticContact CZ-NE2 3.72Å
380	N	66.6	Low	68.8	Low	95 Å²	95	58.9 Å²	58.9	51%	0.508	29%	0.291	S	S	.	.	S	Bend	trans	-74.8	-0.8	177.4	61.2	4.9	0	0	0	114.8	F369 H384	F369-N380 HydrophobicContact CD1-CB 4.21Å; F369-N380 HydrophobicContact CE1-CB 4.02Å; N380-H384 PolarHBondContact OD1-ND1 2.91Å
381	K	71.5	Confident	68.3	Low	117 Å²	117	60.7 Å²	60.7	51%	0.509	30%	0.303	S	S	.	.	S	Bend	trans	-149.2	136	178.8	-62.7	-172.6	-178.4	-177.1	0	110.9	F379 S383 H384 L385	F379-K381 PolarHBondContact O-N 3.38Å; K381-S383 PolarHBondContact O-N 3.31Å; K381-H384 HydrophobicContact CB-CB 4.47Å; K381-H384 WeakPolarHBondContact O-CB 3.44Å; K381-H384 PolarHBondContact O-N 3.15Å; K381-L385 PolarHBondContact O-N 3.45Å
382	I	70.7	Confident	68.2	Low	79 Å²	79	61.3 Å²	61.3	41%	0.405	31%	0.306	S	S	.	.	H	α-helix	trans	-54.7	-40	174.8	-56.7	176.7	0	0	0	111.1	Y370 H384 L385 I386	Y370-I382 HydrophobicContact CD1-CD1 4.25Å; Y370-I382 HydrophobicContact CD1-CG1 3.62Å; Y370-I382 HydrophobicContact CD2-CG1 3.86Å; Y370-I382 HydrophobicContact CE1-CD1 3.72Å; Y370-I382 HydrophobicContact CE1-CG1 3.43Å; Y370-I382 VanDerWaalsContact CE1-CG1 3.43Å; Y370-I382 HydrophobicContact CE2-CG1 3.72Å; Y370-I382 HydrophobicContact CG-CG1 3.83Å; Y370-I382 VanDerWaalsContact CZ-CG1 3.5Å; I382-H384 PolarHBondContact O-N 2.96Å; I382-L385 WeakPolarHBondContact O-CB 3.25Å; I382-L385 PolarHBondContact O-N 2.86Å; I382-L385 VanDerWaalsContact O-N 3.14Å; I382-I386 HydrophobicContact CG2-CD1 3.76Å; I382-I386 HydrophobicContact CG2-CG1 4.14Å; I382-I386 WeakPolarHBondContact O-CG1 3.48Å; I382-I386 PolarHBondContact O-N 2.81Å
383	S	69.1	Low	67.7	Low	64 Å²	64	65 Å²	65	45%	0.448	33%	0.329	S	S	.	.	H	α-helix	trans	-65.3	-22.8	177.9	57.4	0	0	0	0	114.1	K381 N387	K381-S383 PolarHBondContact O-N 3.31Å; S383-N387 WeakPolarHBondContact O-CB 3.49Å; S383-N387 PolarHBondContact O-N 3.12Å; S383-N387 PolarHBondContact O-ND2 3.28Å
384	H	70.7	Confident	67.7	Low	84 Å²	84	63.6 Å²	63.6	39%	0.389	33%	0.327	S	S	.	.	H	α-helix	trans	-79	-43.5	170.9	-62.5	168.2	0	0	0	110.5	F379 N380 K381 I382 I386 N387 H388	F379-H384 HydrophobicContact CB-CB 4.17Å; F379-H384 HydrophobicContact CD1-CB 3.82Å; F379-H384 HydrophobicContact CG-CB 4.29Å; N380-H384 PolarHBondContact OD1-ND1 2.91Å; K381-H384 HydrophobicContact CB-CB 4.47Å; K381-H384 WeakPolarHBondContact O-CB 3.44Å; K381-H384 PolarHBondContact O-N 3.15Å; I382-H384 PolarHBondContact O-N 2.96Å; H384-I386 PolarHBondContact O-N 3.46Å; H384-N387 PolarHBondContact O-N 3.37Å; H384-H388 WeakPolarHBondContact O-CB 3.46Å; H384-H388 PolarHBondContact O-N 3.49Å
385	L	73	Confident	67.6	Low	11 Å²	11	64 Å²	64	6%	0.058	33%	0.327	C	S	.	.	H	α-helix	trans	-58.5	-45.6	173.7	171.8	59.4	0	0	0	112.4	K371 C372 F379 K381 I382 H388 R389	K371-L385 VanDerWaalsContact O-CD2 3.24Å; K371-L385 WeakPolarHBondContact O-CD2 3.22Å; C372-L385 HydrophobicContact CB-CD1 3.56Å; F379-L385 HydrophobicContact CB-CB 4.19Å; F379-L385 HydrophobicContact CD2-CB 4Å; F379-L385 HydrophobicContact CD2-CD1 3.98Å; F379-L385 HydrophobicContact CE2-CD1 4.28Å; F379-L385 HydrophobicContact CG-CB 4.24Å; K381-L385 PolarHBondContact O-N 3.45Å; I382-L385 WeakPolarHBondContact O-CB 3.25Å; I382-L385 PolarHBondContact O-N 2.86Å; I382-L385 VanDerWaalsContact O-N 3.14Å; L385-H388 CarbonylContact O-C 3.59Å; L385-H388 WeakPolarHBondContact O-CB 3.23Å; L385-H388 PolarHBondContact O-N 3.03Å; L385-H388 VanDerWaalsContact O-N 3.1Å; L385-R389 HydrophobicContact CD1-CG 4.3Å; L385-R389 PolarHBondContact O-N 3.05Å
386	I	70	Confident	67.7	Low	79 Å²	79	67.7 Å²	67.7	41%	0.405	34%	0.34	S	S	.	.	H	α-helix	trans	-61.8	-46.8	177.4	-69.2	172.4	0	0	0	110.9	I382 H384 H388 R389 R390	I382-I386 HydrophobicContact CG2-CD1 3.76Å; I382-I386 HydrophobicContact CG2-CG1 4.14Å; I382-I386 WeakPolarHBondContact O-CG1 3.48Å; I382-I386 PolarHBondContact O-N 2.81Å; H384-I386 PolarHBondContact O-N 3.46Å; I386-H388 PolarHBondContact O-N 2.85Å; I386-R389 PolarHBondContact O-N 2.87Å; I386-R390 WeakPolarHBondContact O-CG 3.48Å; I386-R390 PolarHBondContact O-N 3.48Å; I386-R390 VanDerWaalsContact O-N 3.12Å
387	N	68.7	Low	68.1	Low	35 Å²	35	67.6 Å²	67.6	19%	0.187	34%	0.339	C	S	.	.	H	α-helix	trans	-65.7	-21.3	176.2	-76.9	-49.1	0	0	0	113.1	S383 H384 I408	S383-N387 WeakPolarHBondContact O-CB 3.49Å; S383-N387 PolarHBondContact O-N 3.12Å; S383-N387 PolarHBondContact O-ND2 3.28Å; H384-N387 PolarHBondContact O-N 3.37Å; N387-I408 HydrophobicContact CB-CG2 4.21Å; N387-I408 WeakPolarHBondContact O-CG2 3.33Å
388	H	68.4	Low	68.5	Low	16 Å²	16	68.7 Å²	68.7	7%	0.074	34%	0.344	C	S	.	.	H	α-helix	trans	-84.3	-42.1	174.7	177.5	71.8	0	0	0	112.5	Y250 C375 F379 H384 L385 I386 R390 I391	Y250-H388 AromaticContact CE1-CE1 3.76Å; Y250-H388 AromaticContact CZ-CE1 3.78Å; Y250-H388 PolarHBondContact OH-CE1 3.43Å; C375-H388 PolarHBondContact SG-NE2 3.15Å; F379-H388 HydrophobicContact CE1-CB 4.09Å; F379-H388 HydrophobicContact CE2-CB 4.05Å; F379-H388 AromaticContact CE2-CD2 3.32Å; F379-H388 WeakPolarHBondContact CE2-CD2 3.45Å; F379-H388 AromaticContact CE2-CG 3.72Å; F379-H388 AromaticContact CE2-NE2 3.88Å; F379-H388 HydrophobicContact CZ-CB 3.64Å; F379-H388 AromaticContact CZ-CD2 3.32Å; F379-H388 WeakPolarHBondContact CZ-CD2 3.48Å; F379-H388 AromaticContact CZ-CE1 3.95Å; F379-H388 AromaticContact CZ-CG 3.27Å; F379-H388 AromaticContact CZ-ND1 3.7Å; F379-H388 AromaticContact CZ-NE2 3.72Å; H384-H388 WeakPolarHBondContact O-CB 3.46Å; H384-H388 PolarHBondContact O-N 3.49Å; L385-H388 CarbonylContact O-C 3.59Å; L385-H388 WeakPolarHBondContact O-CB 3.23Å; L385-H388 PolarHBondContact O-N 3.03Å; L385-H388 VanDerWaalsContact O-N 3.1Å; I386-H388 PolarHBondContact O-N 2.85Å; H388-R390 PolarHBondContact O-N 3.21Å; H388-I391 VanDerWaalsContact O-CB 3.23Å; H388-I391 WeakPolarHBondContact O-CB 3.48Å; H388-I391 WeakPolarHBondContact O-CG1 3.47Å; H388-I391 PolarHBondContact O-N 3.19Å
389	R	65.3	Low	68.6	Low	81 Å²	81	71 Å²	71	31%	0.306	35%	0.353	S	S	.	.	H	α-helix	trans	-55.6	-34.8	170.1	-90.4	175.5	156.9	-102.8	10.9	111.8	D373 L385 I386 I391 H392 T393	D373-R389 IonicContact OD2-CZ 3.38Å; D373-R389 IonicContact OD2-NE 3.08Å; D373-R389 PolarHBondContact OD2-NE 3Å; D373-R389 IonicContact OD2-NH2 3.05Å; D373-R389 PolarHBondContact OD2-NH2 2.93Å; L385-R389 HydrophobicContact CD1-CG 4.3Å; L385-R389 PolarHBondContact O-N 3.05Å; I386-R389 PolarHBondContact O-N 2.87Å; R389-I391 PolarHBondContact O-N 3.01Å; R389-H392 WeakPolarHBondContact O-CB 3.4Å; R389-H392 PolarHBondContact O-N 3.49Å; R389-T393 PolarHBondContact O-N 2.99Å
390	R	74.3	Confident	68.6	Low	62 Å²	62	69.2 Å²	69.2	23%	0.234	35%	0.346	C	S	.	.	H	α-helix	trans	-64	-13.2	171.6	-72.2	-174.9	174.9	140.6	6	116	I386 H388 G394 E395 I408	I386-R390 WeakPolarHBondContact O-CG 3.48Å; I386-R390 PolarHBondContact O-N 3.48Å; I386-R390 VanDerWaalsContact O-N 3.12Å; H388-R390 PolarHBondContact O-N 3.21Å; R390-G394 CarbonylContact O-C 3.59Å; R390-G394 PolarHBondContact O-N 2.75Å; R390-E395 HydrophobicContact CB-CB 4.09Å; R390-E395 HydrophobicContact CG-CB 3.8Å; R390-E395 WeakPolarHBondContact CG-OE2 3.42Å; R390-E395 IonicContact NE-OE2 3.56Å; R390-E395 PolarHBondContact NE-OE2 3.05Å; R390-E395 PolarHBondContact O-N 3.14Å; R390-I408 HydrophobicContact CB-CG1 4.38Å; R390-I408 HydrophobicContact CB-CG2 3.78Å
391	I	62	Low	68.7	Low	86 Å²	86	74.9 Å²	74.9	44%	0.441	37%	0.366	S	S	.	.	H	α-helix	trans	-73.6	-47.1	169.3	-55.9	174.2	0	0	0	108.6	H388 R389 G394 I408	H388-I391 VanDerWaalsContact O-CB 3.23Å; H388-I391 WeakPolarHBondContact O-CB 3.48Å; H388-I391 WeakPolarHBondContact O-CG1 3.47Å; H388-I391 PolarHBondContact O-N 3.19Å; R389-I391 PolarHBondContact O-N 3.01Å; I391-G394 PolarHBondContact O-N 2.7Å; I391-I408 HydrophobicContact CG1-CD1 3.77Å
392	H	61.9	Low	68.3	Low	68 Å²	68	75.5 Å²	75.5	32%	0.315	37%	0.371	S	S	.	.	H	α-helix	trans	-67.2	-44.4	177.5	-60.7	-79.9	0	0	0	112.8	Y250 I374 C375 R389 G394	Y250-H392 AromaticContact CZ-NE2 3.79Å; Y250-H392 PolarHBondContact OH-NE2 3.48Å; I374-H392 HydrophobicContact CD1-CB 3.7Å; I374-H392 HydrophobicContact CG2-CB 4.38Å; I374-H392 VanDerWaalsContact CG2-CE1 3.47Å; I374-H392 WeakPolarHBondContact CG2-CE1 3.48Å; I374-H392 WeakPolarHBondContact CG2-ND1 3.42Å; C375-H392 VanDerWaalsContact CB-NE2 3.32Å; C375-H392 WeakPolarHBondContact CB-NE2 3.47Å; R389-H392 WeakPolarHBondContact O-CB 3.4Å; R389-H392 PolarHBondContact O-N 3.49Å; H392-G394 PolarHBondContact O-N 2.98Å
393	T	62.5	Low	68	Low	77 Å²	77	74.2 Å²	74.2	47%	0.472	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-1	178.6	66.8	0	0	0	0	113.7	R389 E395	R389-T393 PolarHBondContact O-N 2.99Å; T393-E395 PolarHBondContact O-N 3.22Å
394	G	60.7	Low	67.9	Low	24 Å²	24	73.8 Å²	73.8	25%	0.247	37%	0.374	C	S	.	.			trans	66.4	-3.1	-178.9	0	0	0	0	0	115.9	R390 I391 H392 K396	R390-G394 CarbonylContact O-C 3.59Å; R390-G394 PolarHBondContact O-N 2.75Å; I391-G394 PolarHBondContact O-N 2.7Å; H392-G394 PolarHBondContact O-N 2.98Å; G394-K396 WeakPolarHBondContact O-CD 3.35Å; G394-K396 WeakPolarHBondContact O-CE 3.15Å; G394-K396 WeakPolarHBondContact O-CG 3.46Å; G394-K396 PolarHBondContact O-N 2.95Å; G394-K396 PolarHBondContact O-NZ 2.86Å
395	E	64.2	Low	67.6	Low	95 Å²	95	76.1 Å²	76.1	44%	0.444	38%	0.383	S	S	.	.			trans	-53.1	124.2	-176.2	-92.8	-178.9	-138	0	0	113.2	R390 T393 I408	R390-E395 HydrophobicContact CB-CB 4.09Å; R390-E395 HydrophobicContact CG-CB 3.8Å; R390-E395 WeakPolarHBondContact CG-OE2 3.42Å; R390-E395 IonicContact NE-OE2 3.56Å; R390-E395 PolarHBondContact NE-OE2 3.05Å; R390-E395 PolarHBondContact O-N 3.14Å; T393-E395 PolarHBondContact O-N 3.22Å; E395-I408 WeakPolarHBondContact O-CG1 3.44Å
396	K	72.3	Confident	67.4	Low	102 Å²	102	76.8 Å²	76.8	44%	0.443	39%	0.392	S	S	.	.			trans	-128.6	75.8	-179.8	-75.1	147.7	-169.5	139.1	0	111.2	G394 H398 F407 I408	G394-K396 WeakPolarHBondContact O-CD 3.35Å; G394-K396 WeakPolarHBondContact O-CE 3.15Å; G394-K396 WeakPolarHBondContact O-CG 3.46Å; G394-K396 PolarHBondContact O-N 2.95Å; G394-K396 PolarHBondContact O-NZ 2.86Å; K396-H398 VanDerWaalsContact C-N 3.25Å; K396-H398 PolarHBondContact O-N 2.92Å; K396-F407 CarbonylContact C-O 3.59Å; K396-I408 HydrophobicContact CG-CG1 4.33Å
397	P	72.3	Confident	67.8	Low	65 Å²	65	75.1 Å²	75.1	42%	0.422	38%	0.382	S	S	.	.			trans	-63.3	-25.9	-171.5	-23.6	35.1	0	0	0	114.6
398	H	73.4	Confident	67.9	Low	58 Å²	58	75.3 Å²	75.3	27%	0.269	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	89	-173.4	-57.5	-61.1	0	0	0	111	K396 F407 R410 L413	K396-H398 VanDerWaalsContact C-N 3.25Å; K396-H398 PolarHBondContact O-N 2.92Å; H398-F407 HydrophobicContact CB-CB 4.46Å; H398-F407 PolarHBondContact N-O 3.3Å; H398-F407 WeakPolarHBondContact O-CD2 3.34Å; H398-F407 PolarHBondContact O-N 2.87Å; H398-R410 PolarHBondContact CD2-N 2.95Å; H398-R410 PolarHBondContact NE2-N 3.14Å; H398-L413 HydrophobicContact CB-CB 4.12Å; H398-L413 HydrophobicContact CB-CD2 3.87Å
399	K	68.2	Low	68	Low	152 Å²	152	78.3 Å²	78.3	66%	0.661	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	136.4	179.5	-61.8	178.8	-177.5	176.7	0	112.3
400	C	75.4	Confident	68.2	Low	3 Å²	3	82.3 Å²	82.3	2%	0.02	41%	0.412	C	S	.	.			trans	-74.7	121.4	171.4	176.3	0	0	0	0	110.3	E402 C403 G404 K405 F407 L413	C400-E402 VanDerWaalsContact C-N 3.26Å; C400-E402 PolarHBondContact O-N 2.84Å; C400-C403 VanDerWaalsContact SG-SG 3.69Å; C400-G404 VanDerWaalsContact O-CA 3.27Å; C400-G404 WeakPolarHBondContact O-CA 3.44Å; C400-G404 PolarHBondContact O-N 2.78Å; C400-K405 WeakPolarHBondContact CB-O 3.44Å; C400-K405 PolarHBondContact N-O 3.21Å; C400-F407 HydrophobicContact CB-CE2 4.38Å; C400-L413 HydrophobicContact CB-CD1 3.63Å
401	K	68.8	Low	67.9	Low	214 Å²	214	82.5 Å²	82.5	93%	0.93	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-26.9	178.7	-66.2	-169.8	176.1	-171.7	0	113.5
402	E	62.8	Low	68.3	Low	131 Å²	131	80 Å²	80	61%	0.612	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-21.7	-173.7	-61.1	167.9	136.6	0	0	113.7	C400 L417 H420	C400-E402 VanDerWaalsContact C-N 3.26Å; C400-E402 PolarHBondContact O-N 2.84Å; E402-L417 VanDerWaalsContact OE2-CD2 3.31Å; E402-L417 WeakPolarHBondContact OE2-CD2 3.46Å; E402-H420 IonicContact OE2-CD2 2.95Å; E402-H420 PolarHBondContact OE2-CD2 2.87Å; E402-H420 IonicContact OE2-CG 3.63Å
403	C	64.9	Low	68.9	Low	52 Å²	52	77.9 Å²	77.9	35%	0.351	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.4	12.7	-179.6	78.9	0	0	0	0	115.4	C400 K405 H416	C400-C403 VanDerWaalsContact SG-SG 3.69Å; C403-K405 PolarHBondContact O-N 3.46Å; C403-H416 PolarHBondContact SG-NE2 2.93Å
404	G	66.1	Low	69.2	Low	55 Å²	55	78.4 Å²	78.4	57%	0.567	40%	0.403	S	S	*	.			trans	71.6	-18.4	176.8	0	0	0	0	0	116.4	C400 G406	C400-G404 VanDerWaalsContact O-CA 3.27Å; C400-G404 WeakPolarHBondContact O-CA 3.44Å; C400-G404 PolarHBondContact O-N 2.78Å; G404-G406 PolarHBondContact O-N 2.87Å
405	K	64.9	Low	69.4	Low	132 Å²	132	81 Å²	81	57%	0.574	41%	0.41	S	S	*	.			trans	-59.4	124.9	-172.8	-68.6	-175.8	-179.5	-173.9	0	112.4	C400 C403 F407	C400-K405 WeakPolarHBondContact CB-O 3.44Å; C400-K405 PolarHBondContact N-O 3.21Å; C403-K405 PolarHBondContact O-N 3.46Å; K405-F407 HydrophobicContact CB-CE2 3.91Å; K405-F407 HydrophobicContact CB-CZ 4.09Å; K405-F407 WeakPolarHBondContact O-CD2 3.5Å; K405-F407 VanDerWaalsContact O-CE2 3.27Å; K405-F407 WeakPolarHBondContact O-CE2 3.25Å
406	G	68.8	Low	69.7	Low	25 Å²	25	77.8 Å²	77.8	26%	0.258	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	141.7	177.1	0	0	0	0	0	113	G404	G404-G406 PolarHBondContact O-N 2.87Å
407	F	77.6	Confident	69.3	Low	44 Å²	44	75.5 Å²	75.5	19%	0.193	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	146.4	177.4	-61.1	-87.6	0	0	0	111.3	K396 H398 C400 K405 L413 H416	K396-F407 CarbonylContact C-O 3.59Å; H398-F407 HydrophobicContact CB-CB 4.46Å; H398-F407 PolarHBondContact N-O 3.3Å; H398-F407 WeakPolarHBondContact O-CD2 3.34Å; H398-F407 PolarHBondContact O-N 2.87Å; C400-F407 HydrophobicContact CB-CE2 4.38Å; K405-F407 HydrophobicContact CB-CE2 3.91Å; K405-F407 HydrophobicContact CB-CZ 4.09Å; K405-F407 WeakPolarHBondContact O-CD2 3.5Å; K405-F407 VanDerWaalsContact O-CE2 3.27Å; K405-F407 WeakPolarHBondContact O-CE2 3.25Å; F407-L413 HydrophobicContact CB-CB 4.26Å; F407-L413 HydrophobicContact CD2-CB 3.96Å; F407-L413 HydrophobicContact CD2-CD1 3.81Å; F407-L413 HydrophobicContact CD2-CG 4.47Å; F407-L413 HydrophobicContact CE2-CD1 4.02Å; F407-L413 HydrophobicContact CG-CB 4.26Å; F407-H416 HydrophobicContact CE1-CB 3.95Å; F407-H416 HydrophobicContact CE2-CB 3.84Å; F407-H416 AromaticContact CE2-CD2 3.47Å; F407-H416 VanDerWaalsContact CE2-CD2 3.47Å; F407-H416 WeakPolarHBondContact CE2-CD2 3.17Å; F407-H416 AromaticContact CE2-CG 3.61Å; F407-H416 HydrophobicContact CZ-CB 3.44Å; F407-H416 VanDerWaalsContact CZ-CB 3.44Å; F407-H416 AromaticContact CZ-CD2 3.6Å; F407-H416 AromaticContact CZ-CG 3.25Å; F407-H416 AromaticContact CZ-ND1 3.68Å
408	I	70.9	Confident	69.4	Low	39 Å²	39	75.8 Å²	75.8	20%	0.2	38%	0.38	C	S	.	.	S	Bend	trans	-69.2	-35	177.8	-64.5	170.3	0	0	0	111.2	N387 R390 I391 E395 K396	N387-I408 HydrophobicContact CB-CG2 4.21Å; N387-I408 WeakPolarHBondContact O-CG2 3.33Å; R390-I408 HydrophobicContact CB-CG1 4.38Å; R390-I408 HydrophobicContact CB-CG2 3.78Å; I391-I408 HydrophobicContact CG1-CD1 3.77Å; E395-I408 WeakPolarHBondContact O-CG1 3.44Å; K396-I408 HydrophobicContact CG-CG1 4.33Å
409	Q	71.5	Confident	68.7	Low	80 Å²	80	77.9 Å²	77.9	37%	0.374	39%	0.393	S	S	.	.	S	Bend	trans	-123.5	144.8	-178.3	-55.8	-177.8	9	0	0	112.6	S411 S412 L413	Q409-S411 VanDerWaalsContact C-N 3.26Å; Q409-S411 VanDerWaalsContact CB-OG 3.23Å; Q409-S411 WeakPolarHBondContact CB-OG 3.34Å; Q409-S411 PolarHBondContact O-N 3.07Å; Q409-S411 PolarHBondContact OE1-OG 3.44Å; Q409-S412 WeakPolarHBondContact O-CB 3.42Å; Q409-S412 PolarHBondContact O-N 2.89Å; Q409-S412 VanDerWaalsContact O-N 3.14Å; Q409-L413 PolarHBondContact O-N 2.98Å; Q409-L413 VanDerWaalsContact O-N 3.15Å
410	R	69.6	Low	68.4	Low	165 Å²	165	74.5 Å²	74.5	62%	0.623	38%	0.379	S	S	*	.	H	α-helix	trans	-62.2	-32.6	175.6	-174.4	179.2	174	98.8	-1.9	112.4	H398 L413 L414	H398-R410 PolarHBondContact CD2-N 2.95Å; H398-R410 PolarHBondContact NE2-N 3.14Å; R410-L413 PolarHBondContact O-N 3.28Å; R410-L414 HydrophobicContact CG-CD1 4.12Å; R410-L414 HydrophobicContact CG-CG 4.44Å; R410-L414 WeakPolarHBondContact O-CB 3.44Å; R410-L414 VanDerWaalsContact O-CG 3.32Å; R410-L414 WeakPolarHBondContact O-CG 3.28Å; R410-L414 PolarHBondContact O-N 3.43Å
411	S	67.5	Low	67.6	Low	65 Å²	65	77.6 Å²	77.6	46%	0.455	40%	0.401	S	S	.	.	H	α-helix	trans	-56.3	-47.8	171.2	48.8	0	0	0	0	111.8	Q409 L414 M415	Q409-S411 VanDerWaalsContact C-N 3.26Å; Q409-S411 VanDerWaalsContact CB-OG 3.23Å; Q409-S411 WeakPolarHBondContact CB-OG 3.34Å; Q409-S411 PolarHBondContact O-N 3.07Å; Q409-S411 PolarHBondContact OE1-OG 3.44Å; S411-L414 PolarHBondContact O-N 3.18Å; S411-M415 VanDerWaalsContact O-CB 3.32Å; S411-M415 WeakPolarHBondContact O-CB 3.21Å; S411-M415 PolarHBondContact O-N 2.83Å
412	S	70.7	Confident	67.2	Low	35 Å²	35	69.4 Å²	69.4	25%	0.245	38%	0.377	C	S	.	.	H	α-helix	trans	-65	-39.1	177.1	-47.2	0	0	0	0	112.2	Q409 H416	Q409-S412 WeakPolarHBondContact O-CB 3.42Å; Q409-S412 PolarHBondContact O-N 2.89Å; Q409-S412 VanDerWaalsContact O-N 3.14Å; S412-H416 WeakPolarHBondContact O-CB 3.31Å; S412-H416 PolarHBondContact O-N 2.83Å
413	L	74.9	Confident	67.2	Low	22 Å²	22	68.2 Å²	68.2	12%	0.115	37%	0.372	C	S	.	.	H	α-helix	trans	-64	-47.4	173.2	173.6	59.5	0	0	0	111.7	H398 C400 F407 Q409 R410 M415 H416 L417	H398-L413 HydrophobicContact CB-CB 4.12Å; H398-L413 HydrophobicContact CB-CD2 3.87Å; C400-L413 HydrophobicContact CB-CD1 3.63Å; F407-L413 HydrophobicContact CB-CB 4.26Å; F407-L413 HydrophobicContact CD2-CB 3.96Å; F407-L413 HydrophobicContact CD2-CD1 3.81Å; F407-L413 HydrophobicContact CD2-CG 4.47Å; F407-L413 HydrophobicContact CE2-CD1 4.02Å; F407-L413 HydrophobicContact CG-CB 4.26Å; Q409-L413 PolarHBondContact O-N 2.98Å; Q409-L413 VanDerWaalsContact O-N 3.15Å; R410-L413 PolarHBondContact O-N 3.28Å; L413-M415 VanDerWaalsContact C-N 3.32Å; L413-M415 PolarHBondContact O-N 3.13Å; L413-H416 CarbonylContact O-C 3.5Å; L413-H416 WeakPolarHBondContact O-CA 3.36Å; L413-H416 WeakPolarHBondContact O-CB 3.46Å; L413-H416 PolarHBondContact O-N 2.92Å; L413-L417 HydrophobicContact CD1-CD1 4.26Å; L413-L417 HydrophobicContact CD1-CD2 4.4Å; L413-L417 HydrophobicContact CD1-CG 4.06Å; L413-L417 HydrophobicContact CG-CD1 4.15Å; L413-L417 HydrophobicContact CG-CG 4.42Å; L413-L417 WeakPolarHBondContact O-CG 3.34Å; L413-L417 PolarHBondContact O-N 3.19Å
414	L	67.5	Low	67.4	Low	88 Å²	88	71.6 Å²	71.6	46%	0.461	38%	0.38	S	S	.	.	H	α-helix	trans	-61.5	-40.6	177.5	-72	165.8	0	0	0	111.8	R410 S411 H416 L417 R418	R410-L414 HydrophobicContact CG-CD1 4.12Å; R410-L414 HydrophobicContact CG-CG 4.44Å; R410-L414 WeakPolarHBondContact O-CB 3.44Å; R410-L414 VanDerWaalsContact O-CG 3.32Å; R410-L414 WeakPolarHBondContact O-CG 3.28Å; R410-L414 PolarHBondContact O-N 3.43Å; S411-L414 PolarHBondContact O-N 3.18Å; L414-H416 VanDerWaalsContact C-N 3.28Å; L414-H416 PolarHBondContact O-N 3.44Å; L414-L417 HydrophobicContact CD2-CD1 4.47Å; L414-L417 PolarHBondContact O-N 3.04Å; L414-R418 PolarHBondContact O-N 3.37Å
415	M	65.8	Low	67.7	Low	79 Å²	79	72.2 Å²	72.2	39%	0.389	37%	0.374	S	S	.	.	H	α-helix	trans	-64.8	-31.5	172.7	-176.4	179.1	72.9	0	0	112.6	S411 L413 N419 Q437	S411-M415 VanDerWaalsContact O-CB 3.32Å; S411-M415 WeakPolarHBondContact O-CB 3.21Å; S411-M415 PolarHBondContact O-N 2.83Å; L413-M415 VanDerWaalsContact C-N 3.32Å; L413-M415 PolarHBondContact O-N 3.13Å; M415-N419 PolarHBondContact O-ND2 3.22Å; M415-Q437 HydrophobicContact CG-CG 4.21Å; M415-Q437 HydrophobicContact SD-CG 4.12Å; M415-Q437 PolarHBondContact SD-NE2 3.47Å
416	H	69.1	Low	68.1	Low	27 Å²	27	69.8 Å²	69.8	13%	0.125	36%	0.362	C	S	.	.	H	α-helix	trans	-73.1	-43.1	174.9	168.4	69.9	0	0	0	112.5	C403 F407 S412 L413 L414 R418 N419 H420	C403-H416 PolarHBondContact SG-NE2 2.93Å; F407-H416 HydrophobicContact CE1-CB 3.95Å; F407-H416 HydrophobicContact CE2-CB 3.84Å; F407-H416 AromaticContact CE2-CD2 3.47Å; F407-H416 VanDerWaalsContact CE2-CD2 3.47Å; F407-H416 WeakPolarHBondContact CE2-CD2 3.17Å; F407-H416 AromaticContact CE2-CG 3.61Å; F407-H416 HydrophobicContact CZ-CB 3.44Å; F407-H416 VanDerWaalsContact CZ-CB 3.44Å; F407-H416 AromaticContact CZ-CD2 3.6Å; F407-H416 AromaticContact CZ-CG 3.25Å; F407-H416 AromaticContact CZ-ND1 3.68Å; S412-H416 WeakPolarHBondContact O-CB 3.31Å; S412-H416 PolarHBondContact O-N 2.83Å; L413-H416 CarbonylContact O-C 3.5Å; L413-H416 WeakPolarHBondContact O-CA 3.36Å; L413-H416 WeakPolarHBondContact O-CB 3.46Å; L413-H416 PolarHBondContact O-N 2.92Å; L414-H416 VanDerWaalsContact C-N 3.28Å; L414-H416 PolarHBondContact O-N 3.44Å; H416-R418 PolarHBondContact O-N 2.86Å; H416-N419 WeakPolarHBondContact CA-ND2 3.21Å; H416-N419 WeakPolarHBondContact O-CB 3.38Å; H416-N419 PolarHBondContact O-N 3.21Å; H416-N419 PolarHBondContact O-ND2 3.18Å; H416-H420 AromaticContact CD2-NE2 3.89Å; H416-H420 AromaticContact CE1-CE1 3.93Å; H416-H420 AromaticContact CE1-NE2 3.5Å; H416-H420 AromaticContact NE2-CD2 3.92Å; H416-H420 AromaticContact NE2-CE1 3.86Å; H416-H420 AromaticContact NE2-NE2 3.03Å; H416-H420 PolarHBondContact NE2-NE2 2.92Å
417	L	64.7	Low	68	Low	54 Å²	54	75.4 Å²	75.4	28%	0.283	38%	0.379	S	S	.	.	H	α-helix	trans	-58.8	-31.7	179.7	-70	168.3	0	0	0	112.7	E402 L413 L414 N419 H420 S421	E402-L417 VanDerWaalsContact OE2-CD2 3.31Å; E402-L417 WeakPolarHBondContact OE2-CD2 3.46Å; L413-L417 HydrophobicContact CD1-CD1 4.26Å; L413-L417 HydrophobicContact CD1-CD2 4.4Å; L413-L417 HydrophobicContact CD1-CG 4.06Å; L413-L417 HydrophobicContact CG-CD1 4.15Å; L413-L417 HydrophobicContact CG-CG 4.42Å; L413-L417 WeakPolarHBondContact O-CG 3.34Å; L413-L417 PolarHBondContact O-N 3.19Å; L414-L417 HydrophobicContact CD2-CD1 4.47Å; L414-L417 PolarHBondContact O-N 3.04Å; L417-N419 PolarHBondContact O-N 2.93Å; L417-H420 PolarHBondContact O-N 3.08Å; L417-S421 PolarHBondContact O-N 3.25Å
418	R	73.5	Confident	68	Low	72 Å²	72	73.3 Å²	73.3	27%	0.272	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-18.5	171.6	-67.7	179.9	-176.3	166.3	4.1	114.5	L414 H416 G422 E423 S436	L414-R418 PolarHBondContact O-N 3.37Å; H416-R418 PolarHBondContact O-N 2.86Å; R418-G422 CarbonylContact O-C 3.55Å; R418-G422 WeakPolarHBondContact O-CA 3.44Å; R418-G422 PolarHBondContact O-N 3.08Å; R418-G422 VanDerWaalsContact O-N 3.13Å; R418-E423 HydrophobicContact CB-CB 4.36Å; R418-E423 HydrophobicContact CG-CB 4.21Å; R418-E423 PolarHBondContact O-N 3.33Å; R418-S436 PolarHBondContact NH1-O 2.86Å; R418-S436 VanDerWaalsContact NH1-O 3.16Å
419	N	58.5	Low	67.9	Low	101 Å²	101	78.9 Å²	78.9	54%	0.54	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-22.8	174.2	-55.4	-69.5	0	0	0	112.6	M415 H416 L417	M415-N419 PolarHBondContact O-ND2 3.22Å; H416-N419 WeakPolarHBondContact CA-ND2 3.21Å; H416-N419 WeakPolarHBondContact O-CB 3.38Å; H416-N419 PolarHBondContact O-N 3.21Å; H416-N419 PolarHBondContact O-ND2 3.18Å; L417-N419 PolarHBondContact O-N 2.93Å
420	H	62.1	Low	67.6	Low	82 Å²	82	80.4 Å²	80.4	38%	0.38	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-46.4	174.3	-54.9	-50.2	0	0	0	110.8	E402 H416 L417 G422	E402-H420 IonicContact OE2-CD2 2.95Å; E402-H420 PolarHBondContact OE2-CD2 2.87Å; E402-H420 IonicContact OE2-CG 3.63Å; H416-H420 AromaticContact CD2-NE2 3.89Å; H416-H420 AromaticContact CE1-CE1 3.93Å; H416-H420 AromaticContact CE1-NE2 3.5Å; H416-H420 AromaticContact NE2-CD2 3.92Å; H416-H420 AromaticContact NE2-CE1 3.86Å; H416-H420 AromaticContact NE2-NE2 3.03Å; H416-H420 PolarHBondContact NE2-NE2 2.92Å; L417-H420 PolarHBondContact O-N 3.08Å; H420-G422 PolarHBondContact O-N 2.83Å
421	S	60.1	Low	67.4	Low	67 Å²	67	74.9 Å²	74.9	47%	0.469	39%	0.394	S	S	.	.	S	Bend	trans	-70.9	-12.6	174.9	72	0	0	0	0	113.9	L417 E423	L417-S421 PolarHBondContact O-N 3.25Å; S421-E423 PolarHBondContact O-N 3.45Å; S421-E423 VanDerWaalsContact OG-CD 3.31Å; S421-E423 WeakPolarHBondContact OG-CG 3.39Å; S421-E423 PolarHBondContact OG-OE1 2.82Å
422	G	59.7	Low	67.5	Low	42 Å²	42	74.7 Å²	74.7	43%	0.433	40%	0.402	S	S	.	.			trans	72.8	2.6	179.9	0	0	0	0	0	114.9	R418 H420 K424	R418-G422 CarbonylContact O-C 3.55Å; R418-G422 WeakPolarHBondContact O-CA 3.44Å; R418-G422 PolarHBondContact O-N 3.08Å; R418-G422 VanDerWaalsContact O-N 3.13Å; H420-G422 PolarHBondContact O-N 2.83Å; G422-K424 PolarHBondContact O-N 3.25Å
423	E	62.3	Low	67.3	Low	107 Å²	107	78.6 Å²	78.6	50%	0.5	41%	0.414	S	S	.	.			trans	-56.3	128.6	-177.2	-82.9	169.3	-132.9	0	0	113.4	R418 S421	R418-E423 HydrophobicContact CB-CB 4.36Å; R418-E423 HydrophobicContact CG-CB 4.21Å; R418-E423 PolarHBondContact O-N 3.33Å; S421-E423 PolarHBondContact O-N 3.45Å; S421-E423 VanDerWaalsContact OG-CD 3.31Å; S421-E423 WeakPolarHBondContact OG-CG 3.39Å; S421-E423 PolarHBondContact OG-OE1 2.82Å
424	K	69.3	Low	67.1	Low	122 Å²	122	79.2 Å²	79.2	53%	0.53	42%	0.423	S	S	.	.			trans	-131.3	78.2	179.4	-72.8	157	-177.4	167.4	0	110.2	G422 Y426 A434 F435	G422-K424 PolarHBondContact O-N 3.25Å; K424-Y426 VanDerWaalsContact C-N 3.26Å; K424-Y426 PolarHBondContact O-N 3.2Å; K424-A434 HydrophobicContact CB-CB 3.51Å; K424-A434 HydrophobicContact CD-CB 4.28Å; K424-A434 WeakPolarHBondContact CD-O 3.33Å; K424-A434 HydrophobicContact CG-CB 4.41Å; K424-F435 CarbonylContact C-O 3.56Å; K424-F435 VanDerWaalsContact C-O 3.23Å; K424-F435 VanDerWaalsContact CA-O 3.27Å; K424-F435 WeakPolarHBondContact CA-O 3.31Å
425	P	72.4	Confident	67.5	Low	68 Å²	68	77.3 Å²	77.3	44%	0.442	41%	0.411	S	S	.	.			trans	-64.4	-28.6	-173.8	-22.8	34.9	0	0	0	113.7	K427	P425-K427 PolarHBondContact O-N 3.25Å
426	Y	73.1	Confident	67.7	Low	82 Å²	82	74.6 Å²	74.6	32%	0.322	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	96.1	-169.6	-52.9	-80.4	0	0	0	110.2	K424 A434 F435 S438	K424-Y426 VanDerWaalsContact C-N 3.26Å; K424-Y426 PolarHBondContact O-N 3.2Å; Y426-A434 CarbonylContact O-C 3.4Å; Y426-A434 WeakPolarHBondContact O-CA 3.48Å; Y426-F435 WeakPolarHBondContact CD2-O 3.41Å; Y426-F435 PolarHBondContact N-O 3.35Å; Y426-F435 VanDerWaalsContact N-O 3.08Å; Y426-F435 PolarHBondContact O-N 3.49Å; Y426-S438 VanDerWaalsContact CD2-N 3.33Å
427	K	67.2	Low	67.8	Low	142 Å²	142	75.5 Å²	75.5	62%	0.617	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	142.7	180	-62.2	179.9	-177.3	174.9	0	111.6	P425 A434 L441	P425-K427 PolarHBondContact O-N 3.25Å; K427-A434 HydrophobicContact CG-CB 3.95Å; K427-L441 WeakPolarHBondContact O-CD2 3.29Å
428	C	76.6	Confident	68	Low	0 Å²	0	76.1 Å²	76.1	0%	0	41%	0.413	C	S	.	.			trans	-89.1	113.2	172.9	-173.3	0	0	0	0	110.1	E430 C431 G432 K433 F435 L441 H448	C428-E430 VanDerWaalsContact C-N 3.27Å; C428-E430 PolarHBondContact O-N 3.23Å; C428-C431 PolarHBondContact O-N 2.97Å; C428-G432 WeakPolarHBondContact O-CA 3.47Å; C428-G432 PolarHBondContact O-N 3.43Å; C428-K433 VanDerWaalsContact CB-O 3.31Å; C428-K433 WeakPolarHBondContact CB-O 3.41Å; C428-K433 PolarHBondContact N-O 3.49Å; C428-F435 HydrophobicContact CB-CE2 4.46Å; C428-L441 HydrophobicContact CB-CD1 3.52Å; C428-H448 PolarHBondContact SG-NE2 2.75Å; C428-H448 VanDerWaalsContact SG-NE2 3.37Å
429	N	69.9	Low	67.8	Low	157 Å²	157	75 Å²	75	84%	0.84	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-35.1	-175.9	-62.6	-4.3	0	0	0	112.4	C431	N429-C431 PolarHBondContact O-N 3.45Å
430	E	65.1	Low	68.2	Low	111 Å²	111	75.2 Å²	75.2	52%	0.519	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-18.3	-176.4	-61.7	155.5	111.5	0	0	114.6	C428 H448	C428-E430 VanDerWaalsContact C-N 3.27Å; C428-E430 PolarHBondContact O-N 3.23Å; E430-H448 WeakPolarHBondContact OE1-CB 3.45Å; E430-H448 IonicContact OE2-CD2 2.97Å; E430-H448 PolarHBondContact OE2-CD2 2.96Å; E430-H448 VanDerWaalsContact OE2-CD2 3.22Å; E430-H448 IonicContact OE2-CG 2.57Å
431	C	65.6	Low	68.8	Low	49 Å²	49	72.3 Å²	72.3	33%	0.331	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.9	17.1	-177.7	81.7	0	0	0	0	115.7	C428 N429 K433 H444	C428-C431 PolarHBondContact O-N 2.97Å; N429-C431 PolarHBondContact O-N 3.45Å; C431-K433 PolarHBondContact O-N 3.15Å; C431-H444 PolarHBondContact SG-NE2 3.22Å
432	G	68.4	Low	69.3	Low	61 Å²	61	73.7 Å²	73.7	63%	0.629	40%	0.402	S	S	*	.			trans	66.5	-5.7	176.4	0	0	0	0	0	117.1	C428 A434	C428-G432 WeakPolarHBondContact O-CA 3.47Å; C428-G432 PolarHBondContact O-N 3.43Å; G432-A434 PolarHBondContact O-N 3.28Å
433	K	66.4	Low	69.6	Low	117 Å²	117	73.2 Å²	73.2	51%	0.509	39%	0.39	S	S	.	.			trans	-69.6	130	-173.7	-72.8	173.7	-168.8	147.5	0	111.2	C428 C431 F435	C428-K433 VanDerWaalsContact CB-O 3.31Å; C428-K433 WeakPolarHBondContact CB-O 3.41Å; C428-K433 PolarHBondContact N-O 3.49Å; C431-K433 PolarHBondContact O-N 3.15Å; K433-F435 HydrophobicContact CB-CE2 3.87Å; K433-F435 HydrophobicContact CB-CZ 4.04Å; K433-F435 VanDerWaalsContact O-CE2 3.32Å; K433-F435 WeakPolarHBondContact O-CE2 3.38Å
434	A	72.2	Confident	70	Confident	35 Å²	35	68.9 Å²	68.9	29%	0.289	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	140.5	-174.8	0	0	0	0	0	112.1	K424 Y426 K427 G432	K424-A434 HydrophobicContact CB-CB 3.51Å; K424-A434 HydrophobicContact CD-CB 4.28Å; K424-A434 WeakPolarHBondContact CD-O 3.33Å; K424-A434 HydrophobicContact CG-CB 4.41Å; Y426-A434 CarbonylContact O-C 3.4Å; Y426-A434 WeakPolarHBondContact O-CA 3.48Å; K427-A434 HydrophobicContact CG-CB 3.95Å; G432-A434 PolarHBondContact O-N 3.28Å
435	F	75.1	Confident	70	Confident	49 Å²	49	66.3 Å²	66.3	22%	0.215	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	149.6	-175.9	-57.8	-90.3	0	0	0	111.3	K424 Y426 C428 K433 Q437 L441 H444	K424-F435 CarbonylContact C-O 3.56Å; K424-F435 VanDerWaalsContact C-O 3.23Å; K424-F435 VanDerWaalsContact CA-O 3.27Å; K424-F435 WeakPolarHBondContact CA-O 3.31Å; Y426-F435 WeakPolarHBondContact CD2-O 3.41Å; Y426-F435 PolarHBondContact N-O 3.35Å; Y426-F435 VanDerWaalsContact N-O 3.08Å; Y426-F435 PolarHBondContact O-N 3.49Å; C428-F435 HydrophobicContact CB-CE2 4.46Å; K433-F435 HydrophobicContact CB-CE2 3.87Å; K433-F435 HydrophobicContact CB-CZ 4.04Å; K433-F435 VanDerWaalsContact O-CE2 3.32Å; K433-F435 WeakPolarHBondContact O-CE2 3.38Å; F435-Q437 VanDerWaalsContact C-N 3.32Å; F435-L441 HydrophobicContact CB-CB 4.44Å; F435-L441 HydrophobicContact CD2-CB 3.97Å; F435-L441 HydrophobicContact CD2-CD1 3.98Å; F435-L441 HydrophobicContact CE2-CD1 4.14Å; F435-L441 HydrophobicContact CG-CB 4.39Å; F435-H444 HydrophobicContact CE1-CB 4.2Å; F435-H444 HydrophobicContact CE2-CB 3.98Å; F435-H444 AromaticContact CE2-CD2 3.34Å; F435-H444 WeakPolarHBondContact CE2-CD2 3.37Å; F435-H444 AromaticContact CE2-CG 3.83Å; F435-H444 HydrophobicContact CZ-CB 3.61Å; F435-H444 AromaticContact CZ-CD2 3.33Å; F435-H444 WeakPolarHBondContact CZ-CD2 3.47Å; F435-H444 AromaticContact CZ-CG 3.42Å; F435-H444 VanDerWaalsContact CZ-CG 3.42Å
436	S	69.8	Low	70.1	Confident	22 Å²	22	65.7 Å²	65.7	15%	0.154	35%	0.348	C	S	.	.	S	Bend	trans	-79.4	-11.9	178.9	50.9	0	0	0	0	114.1	R418	R418-S436 PolarHBondContact NH1-O 2.86Å; R418-S436 VanDerWaalsContact NH1-O 3.16Å
437	Q	72.2	Confident	69.6	Low	45 Å²	45	66.2 Å²	66.2	21%	0.21	36%	0.355	C	S	.	.	S	Bend	trans	-140.8	141.6	179.7	-56.8	175.4	17.3	0	0	111	M415 F435 A439 Y440 L441	M415-Q437 HydrophobicContact CG-CG 4.21Å; M415-Q437 HydrophobicContact SD-CG 4.12Å; M415-Q437 PolarHBondContact SD-NE2 3.47Å; F435-Q437 VanDerWaalsContact C-N 3.32Å; Q437-A439 VanDerWaalsContact C-N 3.34Å; Q437-A439 PolarHBondContact O-N 3.05Å; Q437-Y440 HydrophobicContact CB-CD2 3.87Å; Q437-Y440 HydrophobicContact CB-CE2 4.3Å; Q437-Y440 HydrophobicContact CB-CG 4.47Å; Q437-Y440 VanDerWaalsContact CD-CE2 3.41Å; Q437-Y440 HydrophobicContact CG-CD2 4.14Å; Q437-Y440 HydrophobicContact CG-CE2 4.14Å; Q437-Y440 PolarHBondContact O-N 3.33Å; Q437-Y440 VanDerWaalsContact OE1-CE2 3.3Å; Q437-L441 PolarHBondContact O-N 2.95Å
438	S	69	Low	69.4	Low	68 Å²	68	63 Å²	63	48%	0.476	34%	0.342	S	S	.	.	H	α-helix	trans	-61.1	-38.8	177.4	50.3	0	0	0	0	112.9	Y426 Y440 L441 L442	Y426-S438 VanDerWaalsContact CD2-N 3.33Å; S438-Y440 PolarHBondContact O-N 2.83Å; S438-L441 WeakPolarHBondContact O-CB 3.45Å; S438-L441 PolarHBondContact O-N 3.43Å; S438-L442 PolarHBondContact O-N 2.93Å
439	A	69	Low	68.7	Low	49 Å²	49	66.8 Å²	66.8	41%	0.405	37%	0.366	S	S	.	.	H	α-helix	trans	-59.8	-29.5	177.2	0	0	0	0	0	113.1	Q437 N443	Q437-A439 VanDerWaalsContact C-N 3.34Å; Q437-A439 PolarHBondContact O-N 3.05Å; A439-N443 WeakPolarHBondContact O-CB 3.28Å; A439-N443 PolarHBondContact O-N 3.13Å; A439-N443 VanDerWaalsContact O-N 3.16Å; A439-N443 PolarHBondContact O-ND2 3.4Å
440	Y	67.1	Low	68.3	Low	104 Å²	104	61 Å²	61	41%	0.408	34%	0.344	S	S	.	.	H	α-helix	trans	-80.4	-30.7	174.2	-63.5	-36	0	0	0	113.1	Q437 S438 H444	Q437-Y440 HydrophobicContact CB-CD2 3.87Å; Q437-Y440 HydrophobicContact CB-CE2 4.3Å; Q437-Y440 HydrophobicContact CB-CG 4.47Å; Q437-Y440 VanDerWaalsContact CD-CE2 3.41Å; Q437-Y440 HydrophobicContact CG-CD2 4.14Å; Q437-Y440 HydrophobicContact CG-CE2 4.14Å; Q437-Y440 PolarHBondContact O-N 3.33Å; Q437-Y440 VanDerWaalsContact OE1-CE2 3.3Å; S438-Y440 PolarHBondContact O-N 2.83Å; Y440-H444 WeakPolarHBondContact O-CB 3.19Å; Y440-H444 PolarHBondContact O-N 3.45Å; Y440-H444 VanDerWaalsContact O-N 3.1Å
441	L	74.8	Confident	68.3	Low	22 Å²	22	61 Å²	61	12%	0.115	34%	0.343	C	S	.	.	H	α-helix	trans	-65.2	-47.9	169.3	172.4	60.1	0	0	0	111	K427 C428 F435 Q437 S438 N443 H444 Q445	K427-L441 WeakPolarHBondContact O-CD2 3.29Å; C428-L441 HydrophobicContact CB-CD1 3.52Å; F435-L441 HydrophobicContact CB-CB 4.44Å; F435-L441 HydrophobicContact CD2-CB 3.97Å; F435-L441 HydrophobicContact CD2-CD1 3.98Å; F435-L441 HydrophobicContact CE2-CD1 4.14Å; F435-L441 HydrophobicContact CG-CB 4.39Å; Q437-L441 PolarHBondContact O-N 2.95Å; S438-L441 WeakPolarHBondContact O-CB 3.45Å; S438-L441 PolarHBondContact O-N 3.43Å; L441-N443 PolarHBondContact O-N 3.4Å; L441-H444 CarbonylContact O-C 3.52Å; L441-H444 WeakPolarHBondContact O-CA 3.24Å; L441-H444 VanDerWaalsContact O-CB 3.3Å; L441-H444 WeakPolarHBondContact O-CB 3.25Å; L441-H444 PolarHBondContact O-N 3.01Å; L441-Q445 HydrophobicContact CD1-CG 4.06Å; L441-Q445 HydrophobicContact CG-CG 4.46Å; L441-Q445 PolarHBondContact O-N 3.27Å
442	L	69.6	Low	68.5	Low	95 Å²	95	63 Å²	63	50%	0.497	35%	0.347	S	S	.	.	H	α-helix	trans	-60.6	-43.8	178.2	-174.7	66.1	0	0	0	111.9	S438 H444 Q445 R446	S438-L442 PolarHBondContact O-N 2.93Å; L442-H444 PolarHBondContact O-N 3.29Å; L442-Q445 PolarHBondContact O-N 3.02Å; L442-R446 PolarHBondContact O-N 3.43Å
443	N	67.4	Low	68.6	Low	33 Å²	33	63.6 Å²	63.6	18%	0.176	34%	0.339	C	S	.	.	H	α-helix	trans	-68.2	-10.3	172.4	-82	-70.1	0	0	0	114.1	A439 L441 R446	A439-N443 WeakPolarHBondContact O-CB 3.28Å; A439-N443 PolarHBondContact O-N 3.13Å; A439-N443 VanDerWaalsContact O-N 3.16Å; A439-N443 PolarHBondContact O-ND2 3.4Å; L441-N443 PolarHBondContact O-N 3.4Å; N443-R446 PolarHBondContact OD1-NH1 2.84Å
444	H	70.4	Confident	68.9	Low	15 Å²	15	61.3 Å²	61.3	7%	0.069	33%	0.328	C	S	.	.	H	α-helix	trans	-94.5	-38.5	172.9	175	43.4	0	0	0	112.2	C431 F435 Y440 L441 L442 R446 I447 H448	C431-H444 PolarHBondContact SG-NE2 3.22Å; F435-H444 HydrophobicContact CE1-CB 4.2Å; F435-H444 HydrophobicContact CE2-CB 3.98Å; F435-H444 AromaticContact CE2-CD2 3.34Å; F435-H444 WeakPolarHBondContact CE2-CD2 3.37Å; F435-H444 AromaticContact CE2-CG 3.83Å; F435-H444 HydrophobicContact CZ-CB 3.61Å; F435-H444 AromaticContact CZ-CD2 3.33Å; F435-H444 WeakPolarHBondContact CZ-CD2 3.47Å; F435-H444 AromaticContact CZ-CG 3.42Å; F435-H444 VanDerWaalsContact CZ-CG 3.42Å; Y440-H444 WeakPolarHBondContact O-CB 3.19Å; Y440-H444 PolarHBondContact O-N 3.45Å; Y440-H444 VanDerWaalsContact O-N 3.1Å; L441-H444 CarbonylContact O-C 3.52Å; L441-H444 WeakPolarHBondContact O-CA 3.24Å; L441-H444 VanDerWaalsContact O-CB 3.3Å; L441-H444 WeakPolarHBondContact O-CB 3.25Å; L441-H444 PolarHBondContact O-N 3.01Å; L442-H444 PolarHBondContact O-N 3.29Å; H444-R446 PolarHBondContact O-N 3.33Å; H444-I447 WeakPolarHBondContact O-CB 3.21Å; H444-I447 WeakPolarHBondContact O-CG1 3.22Å; H444-I447 PolarHBondContact O-N 2.94Å; H444-H448 AromaticContact CE1-CE1 3.81Å; H444-H448 AromaticContact CE1-NE2 3.58Å; H444-H448 AromaticContact NE2-CE1 3.93Å; H444-H448 AromaticContact NE2-NE2 3.37Å; H444-H448 PolarHBondContact NE2-NE2 3.27Å
445	Q	68.8	Low	68.6	Low	68 Å²	68	66.9 Å²	66.9	32%	0.318	35%	0.345	S	S	.	.	H	α-helix	trans	-59.7	-32.8	176	-70.7	170	-74.2	0	0	112	L441 L442 I447 H448 T449	L441-Q445 HydrophobicContact CD1-CG 4.06Å; L441-Q445 HydrophobicContact CG-CG 4.46Å; L441-Q445 PolarHBondContact O-N 3.27Å; L442-Q445 PolarHBondContact O-N 3.02Å; Q445-I447 PolarHBondContact O-N 2.77Å; Q445-H448 PolarHBondContact O-N 3.43Å; Q445-T449 PolarHBondContact O-N 3.29Å
446	R	74.5	Confident	68.4	Low	55 Å²	55	64.6 Å²	64.6	21%	0.208	34%	0.336	C	S	.	.	H	α-helix	trans	-55.9	-16.1	168.9	-69.4	178.1	179.8	160.6	-0.7	115.1	L442 N443 H444 T449 G450 E451 Y464	L442-R446 PolarHBondContact O-N 3.43Å; N443-R446 PolarHBondContact OD1-NH1 2.84Å; H444-R446 PolarHBondContact O-N 3.33Å; R446-T449 WeakPolarHBondContact CA-OG1 3.33Å; R446-G450 PolarHBondContact O-N 3.31Å; R446-E451 PolarHBondContact O-N 3.14Å; R446-Y464 HydrophobicContact CB-CD1 4.15Å; R446-Y464 WeakPolarHBondContact O-CD1 3.45Å; R446-Y464 WeakPolarHBondContact O-CE1 3.21Å
447	I	61.8	Low	68.2	Low	93 Å²	93	73.8 Å²	73.8	48%	0.477	37%	0.373	S	S	.	.	H	α-helix	trans	-77.8	-33.8	173.2	-56.2	-177.2	0	0	0	110.8	H444 Q445	H444-I447 WeakPolarHBondContact O-CB 3.21Å; H444-I447 WeakPolarHBondContact O-CG1 3.22Å; H444-I447 PolarHBondContact O-N 2.94Å; Q445-I447 PolarHBondContact O-N 2.77Å
448	H	63.6	Low	67.7	Low	74 Å²	74	77.5 Å²	77.5	34%	0.343	39%	0.39	S	S	.	.	H	α-helix	trans	-82.4	-43.6	179.2	-51.3	-51	0	0	0	111.3	C428 E430 H444 Q445 G450	C428-H448 PolarHBondContact SG-NE2 2.75Å; C428-H448 VanDerWaalsContact SG-NE2 3.37Å; E430-H448 WeakPolarHBondContact OE1-CB 3.45Å; E430-H448 IonicContact OE2-CD2 2.97Å; E430-H448 PolarHBondContact OE2-CD2 2.96Å; E430-H448 VanDerWaalsContact OE2-CD2 3.22Å; E430-H448 IonicContact OE2-CG 2.57Å; H444-H448 AromaticContact CE1-CE1 3.81Å; H444-H448 AromaticContact CE1-NE2 3.58Å; H444-H448 AromaticContact NE2-CE1 3.93Å; H444-H448 AromaticContact NE2-NE2 3.37Å; H444-H448 PolarHBondContact NE2-NE2 3.27Å; Q445-H448 PolarHBondContact O-N 3.43Å; H448-G450 PolarHBondContact O-N 2.85Å
449	T	61.6	Low	67.1	Low	81 Å²	81	76.7 Å²	76.7	50%	0.497	38%	0.384	S	S	.	.	S	Bend	trans	-70.4	-10.2	173.1	66.4	0	0	0	0	113.4	Q445 R446 E451	Q445-T449 PolarHBondContact O-N 3.29Å; R446-T449 WeakPolarHBondContact CA-OG1 3.33Å; T449-E451 PolarHBondContact O-N 2.91Å; T449-E451 WeakPolarHBondContact OG1-CG 3.2Å; T449-E451 PolarHBondContact OG1-OE2 2.62Å
450	G	62.5	Low	66.7	Low	36 Å²	36	77.4 Å²	77.4	37%	0.371	40%	0.396	S	S	.	.			trans	72.2	-7.4	179.6	0	0	0	0	0	115.6	R446 H448	R446-G450 PolarHBondContact O-N 3.31Å; H448-G450 PolarHBondContact O-N 2.85Å
451	E	63.8	Low	66.3	Low	109 Å²	109	78.2 Å²	78.2	51%	0.509	40%	0.402	S	S	.	.			trans	-56.8	131.5	-174.1	-70.3	179.6	141.9	0	0	113.6	R446 T449 Y464	R446-E451 PolarHBondContact O-N 3.14Å; T449-E451 PolarHBondContact O-N 2.91Å; T449-E451 WeakPolarHBondContact OG1-CG 3.2Å; T449-E451 PolarHBondContact OG1-OE2 2.62Å; E451-Y464 WeakPolarHBondContact O-CD1 3.38Å; E451-Y464 WeakPolarHBondContact O-CE1 3.3Å
452	K	69.8	Low	65.9	Low	93 Å²	93	78.3 Å²	78.3	40%	0.404	41%	0.408	S	S	.	.			trans	-128.7	81.2	177.9	-71.7	156.1	-171.9	154.8	0	110.4	Y454 F463 Y464	K452-Y454 VanDerWaalsContact C-N 3.31Å; K452-Y454 PolarHBondContact O-N 3.38Å; K452-F463 CarbonylContact C-O 3.2Å; K452-Y464 WeakPolarHBondContact CE-OH 3.45Å; K452-Y464 HydrophobicContact CG-CD1 4.08Å; K452-Y464 HydrophobicContact CG-CE1 3.79Å; K452-Y464 HydrophobicContact CG-CE2 4.41Å
453	P	72.1	Confident	66.1	Low	72 Å²	72	75.9 Å²	75.9	47%	0.468	39%	0.393	S	S	.	.			trans	-61.4	-37.4	-175.5	-24.1	34.7	0	0	0	113.2	K455	P453-K455 PolarHBondContact O-N 3.32Å
454	Y	72.4	Confident	66	Low	69 Å²	69	78 Å²	78	27%	0.271	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	90.2	-171.6	-55.7	-82.4	0	0	0	110.7	K452 G462 F463 H466	K452-Y454 VanDerWaalsContact C-N 3.31Å; K452-Y454 PolarHBondContact O-N 3.38Å; Y454-G462 CarbonylContact O-C 3.22Å; Y454-F463 PolarHBondContact N-O 3.2Å; Y454-F463 PolarHBondContact O-N 3.15Å; Y454-H466 HydrophobicContact CD1-CB 4.02Å; Y454-H466 AromaticContact CD1-CD2 3.98Å; Y454-H466 HydrophobicContact CE1-CB 3.77Å
455	K	64.7	Low	66	Low	152 Å²	152	82.6 Å²	82.6	66%	0.661	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	129.9	-178.5	-62.7	177.1	-175.6	173.3	0	112	P453 K457	P453-K455 PolarHBondContact O-N 3.32Å; K455-K457 PolarHBondContact O-N 3.4Å
456	C	71.4	Confident	65.9	Low	2 Å²	2	82 Å²	82	1%	0.014	41%	0.413	C	S	.	.			trans	-71.7	115.3	170.7	174	0	0	0	0	110.4	E458 C459 G460 K461 F463 L469 H476	C456-E458 VanDerWaalsContact C-N 3.29Å; C456-E458 PolarHBondContact O-N 3.43Å; C456-C459 PolarHBondContact O-N 3.27Å; C456-G460 WeakPolarHBondContact O-CA 3.24Å; C456-G460 PolarHBondContact O-N 2.95Å; C456-K461 WeakPolarHBondContact CB-O 3.05Å; C456-K461 PolarHBondContact N-O 3.36Å; C456-F463 HydrophobicContact CB-CE2 4.37Å; C456-L469 HydrophobicContact CB-CD1 3.56Å; C456-H476 PolarHBondContact SG-NE2 3.42Å
457	K	65.9	Low	65.6	Low	214 Å²	214	82.3 Å²	82.3	93%	0.93	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-39.1	179	-65.7	-175.3	178.1	-178.5	0	112.5	K455 C459	K455-K457 PolarHBondContact O-N 3.4Å; K457-C459 PolarHBondContact O-N 3.14Å
458	E	60.7	Low	66	Low	123 Å²	123	79.1 Å²	79.1	58%	0.575	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-19.2	-173.6	-56.7	170.6	121.4	0	0	115.1	C456 L473 H476	C456-E458 VanDerWaalsContact C-N 3.29Å; C456-E458 PolarHBondContact O-N 3.43Å; E458-L473 WeakPolarHBondContact OE2-CD2 3.38Å; E458-H476 VanDerWaalsContact OE2-CB 3.25Å; E458-H476 WeakPolarHBondContact OE2-CB 3.41Å; E458-H476 IonicContact OE2-CD2 2.62Å; E458-H476 PolarHBondContact OE2-CD2 3.48Å; E458-H476 IonicContact OE2-CG 3.34Å; E458-H476 IonicContact OE2-NE2 1.84Å
459	C	56.7	Low	66.5	Low	51 Å²	51	76.5 Å²	76.5	35%	0.345	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.9	21.7	178.5	83	0	0	0	0	115.7	C456 K457 K461 H472 H476	C456-C459 PolarHBondContact O-N 3.27Å; K457-C459 PolarHBondContact O-N 3.14Å; C459-K461 PolarHBondContact O-N 3.08Å; C459-H472 PolarHBondContact SG-NE2 2.8Å; C459-H472 VanDerWaalsContact SG-NE2 3.38Å; C459-H476 PolarHBondContact SG-NE2 3.34Å
460	G	61.5	Low	67	Low	64 Å²	64	75.2 Å²	75.2	66%	0.66	39%	0.392	S	S	*	.			trans	65.2	0.5	173.1	0	0	0	0	0	116.8	C456 G462	C456-G460 WeakPolarHBondContact O-CA 3.24Å; C456-G460 PolarHBondContact O-N 2.95Å; G460-G462 PolarHBondContact O-N 3.45Å
461	K	59.3	Low	67.3	Low	121 Å²	121	76.6 Å²	76.6	53%	0.526	39%	0.39	S	S	.	.			trans	-76.9	120.7	-173.6	-75.3	177.9	-176.6	172.9	0	111.2	C456 C459 F463	C456-K461 WeakPolarHBondContact CB-O 3.05Å; C456-K461 PolarHBondContact N-O 3.36Å; C459-K461 PolarHBondContact O-N 3.08Å; K461-F463 HydrophobicContact CB-CE2 3.92Å; K461-F463 HydrophobicContact CB-CZ 4.06Å; K461-F463 WeakPolarHBondContact O-CD2 3.49Å; K461-F463 WeakPolarHBondContact O-CE2 3.47Å
462	G	65.6	Low	67.5	Low	24 Å²	24	72.5 Å²	72.5	25%	0.247	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	142	176.1	0	0	0	0	0	113.6	Y454 G460	Y454-G462 CarbonylContact O-C 3.22Å; G460-G462 PolarHBondContact O-N 3.45Å
463	F	74.1	Confident	67.4	Low	44 Å²	44	70.7 Å²	70.7	19%	0.193	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	151	178.1	-61.9	-84.6	0	0	0	111.4	K452 Y454 C456 K461 L469 H472	K452-F463 CarbonylContact C-O 3.2Å; Y454-F463 PolarHBondContact N-O 3.2Å; Y454-F463 PolarHBondContact O-N 3.15Å; C456-F463 HydrophobicContact CB-CE2 4.37Å; K461-F463 HydrophobicContact CB-CE2 3.92Å; K461-F463 HydrophobicContact CB-CZ 4.06Å; K461-F463 WeakPolarHBondContact O-CD2 3.49Å; K461-F463 WeakPolarHBondContact O-CE2 3.47Å; F463-L469 HydrophobicContact CB-CB 4.4Å; F463-L469 HydrophobicContact CD2-CB 3.99Å; F463-L469 HydrophobicContact CD2-CD1 3.94Å; F463-L469 HydrophobicContact CE2-CD1 4.17Å; F463-L469 HydrophobicContact CG-CB 4.36Å; F463-H472 HydrophobicContact CE1-CB 4.15Å; F463-H472 HydrophobicContact CE2-CB 3.83Å; F463-H472 AromaticContact CE2-CD2 3.76Å; F463-H472 AromaticContact CE2-CG 3.61Å; F463-H472 HydrophobicContact CZ-CB 3.59Å; F463-H472 AromaticContact CZ-CD2 3.86Å; F463-H472 AromaticContact CZ-CE1 3.77Å; F463-H472 AromaticContact CZ-CG 3.32Å; F463-H472 AromaticContact CZ-ND1 3.31Å; F463-H472 VanDerWaalsContact CZ-ND1 3.31Å; F463-H472 WeakPolarHBondContact CZ-ND1 3.4Å
464	Y	64.8	Low	67.6	Low	77 Å²	77	69.7 Å²	69.7	30%	0.302	35%	0.353	S	S	.	.	S	Bend	trans	-80.9	-13.8	-179	-55	-82.6	0	0	0	113.7	R446 E451 K452	R446-Y464 HydrophobicContact CB-CD1 4.15Å; R446-Y464 WeakPolarHBondContact O-CD1 3.45Å; R446-Y464 WeakPolarHBondContact O-CE1 3.21Å; E451-Y464 WeakPolarHBondContact O-CD1 3.38Å; E451-Y464 WeakPolarHBondContact O-CE1 3.3Å; K452-Y464 WeakPolarHBondContact CE-OH 3.45Å; K452-Y464 HydrophobicContact CG-CD1 4.08Å; K452-Y464 HydrophobicContact CG-CE1 3.79Å; K452-Y464 HydrophobicContact CG-CE2 4.41Å
465	R	69.7	Low	67	Low	113 Å²	113	72.9 Å²	72.9	43%	0.426	36%	0.364	S	S	.	.	S	Bend	trans	-146	147.4	-176.7	-61.3	-176.1	-175.2	-173	-1.4	111.3	S467 G468 L469	R465-S467 PolarHBondContact O-N 2.84Å; R465-G468 PolarHBondContact O-N 2.85Å; R465-G468 VanDerWaalsContact O-N 3.12Å; R465-L469 PolarHBondContact O-N 2.85Å
466	H	67.3	Low	66.8	Low	54 Å²	54	68.7 Å²	68.7	25%	0.25	35%	0.347	C	S	.	.	H	α-helix	trans	-55.5	-52.5	179.6	-171.8	-127.7	0	0	0	113.1	E248 Y454 G468 L469 I470	E248-H466 IonicContact OE2-CE1 3.97Å; E248-H466 IonicContact OE2-ND1 3.59Å; E248-H466 PolarHBondContact OE2-ND1 3.03Å; Y454-H466 HydrophobicContact CD1-CB 4.02Å; Y454-H466 AromaticContact CD1-CD2 3.98Å; Y454-H466 HydrophobicContact CE1-CB 3.77Å; H466-G468 PolarHBondContact O-N 3.31Å; H466-G468 VanDerWaalsContact O-N 3.09Å; H466-L469 WeakPolarHBondContact O-CA 3.24Å; H466-L469 WeakPolarHBondContact O-CB 3.38Å; H466-L469 PolarHBondContact O-N 3.26Å; H466-I470 PolarHBondContact O-N 2.91Å
467	S	68.4	Low	66.4	Low	63 Å²	63	71.8 Å²	71.8	44%	0.441	37%	0.369	S	S	.	.	H	α-helix	trans	-59.6	-25.1	178.7	54.6	0	0	0	0	114	R465 I471	R465-S467 PolarHBondContact O-N 2.84Å; S467-I471 WeakPolarHBondContact O-CB 3.4Å; S467-I471 WeakPolarHBondContact O-CD1 3.38Å; S467-I471 VanDerWaalsContact O-CG1 3.23Å; S467-I471 WeakPolarHBondContact O-CG1 3.27Å; S467-I471 PolarHBondContact O-N 3.44Å
468	G	70.1	Confident	66	Low	26 Å²	26	63.8 Å²	63.8	27%	0.268	35%	0.347	S	S	.	.	H	α-helix	trans	-70.1	-32.3	171.5	0	0	0	0	0	113.4	R465 H466 H472	R465-G468 PolarHBondContact O-N 2.85Å; R465-G468 VanDerWaalsContact O-N 3.12Å; H466-G468 PolarHBondContact O-N 3.31Å; H466-G468 VanDerWaalsContact O-N 3.09Å; G468-H472 WeakPolarHBondContact O-CB 3.21Å; G468-H472 PolarHBondContact O-N 3.32Å
469	L	74.9	Confident	66.2	Low	18 Å²	18	62.6 Å²	62.6	9%	0.094	34%	0.341	C	S	.	.	H	α-helix	trans	-74.1	-45	171	173.3	60.1	0	0	0	111.2	C456 F463 R465 H466 I471 H472 L473	C456-L469 HydrophobicContact CB-CD1 3.56Å; F463-L469 HydrophobicContact CB-CB 4.4Å; F463-L469 HydrophobicContact CD2-CB 3.99Å; F463-L469 HydrophobicContact CD2-CD1 3.94Å; F463-L469 HydrophobicContact CE2-CD1 4.17Å; F463-L469 HydrophobicContact CG-CB 4.36Å; R465-L469 PolarHBondContact O-N 2.85Å; H466-L469 WeakPolarHBondContact O-CA 3.24Å; H466-L469 WeakPolarHBondContact O-CB 3.38Å; H466-L469 PolarHBondContact O-N 3.26Å; L469-I471 PolarHBondContact O-N 3.3Å; L469-H472 CarbonylContact O-C 3.59Å; L469-H472 WeakPolarHBondContact O-CA 3.41Å; L469-H472 VanDerWaalsContact O-CB 3.27Å; L469-H472 WeakPolarHBondContact O-CB 3.27Å; L469-H472 PolarHBondContact O-N 3.05Å; L469-L473 HydrophobicContact CD1-CD1 4.17Å; L469-L473 HydrophobicContact CD1-CD2 4.28Å; L469-L473 HydrophobicContact CD1-CG 3.97Å; L469-L473 HydrophobicContact CG-CD1 4.05Å; L469-L473 HydrophobicContact CG-CG 4.32Å; L469-L473 WeakPolarHBondContact O-CG 3.37Å; L469-L473 PolarHBondContact O-N 3.49Å
470	I	70.9	Confident	66.8	Low	54 Å²	54	67.2 Å²	67.2	28%	0.277	35%	0.351	S	S	.	.	H	α-helix	trans	-58.5	-48	177.1	-60.6	-57.6	0	0	0	111.5	H466 H472 L473 R474	H466-I470 PolarHBondContact O-N 2.91Å; I470-H472 PolarHBondContact O-N 2.85Å; I470-H472 VanDerWaalsContact O-N 3.17Å; I470-L473 HydrophobicContact CD1-CD1 4.4Å; I470-L473 PolarHBondContact O-N 3.11Å; I470-L473 VanDerWaalsContact O-N 3.14Å; I470-R474 PolarHBondContact O-N 3.39Å
471	I	68.4	Low	67.4	Low	66 Å²	66	67.8 Å²	67.8	34%	0.338	34%	0.343	S	S	.	.	H	α-helix	trans	-59	-28.3	173.8	-72.7	169.8	0	0	0	112.2	S467 L469 Q493	S467-I471 WeakPolarHBondContact O-CB 3.4Å; S467-I471 WeakPolarHBondContact O-CD1 3.38Å; S467-I471 VanDerWaalsContact O-CG1 3.23Å; S467-I471 WeakPolarHBondContact O-CG1 3.27Å; S467-I471 PolarHBondContact O-N 3.44Å; L469-I471 PolarHBondContact O-N 3.3Å; I471-Q493 HydrophobicContact CD1-CG 4.47Å; I471-Q493 HydrophobicContact CG1-CG 4.43Å; I471-Q493 HydrophobicContact CG2-CG 4.13Å
472	H	69.9	Low	68.1	Low	23 Å²	23	65.6 Å²	65.6	11%	0.106	33%	0.332	C	S	.	.	H	α-helix	trans	-79.8	-36.1	176.3	-177.4	86.2	0	0	0	113.4	C459 F463 G468 L469 I470 R475 H476	C459-H472 PolarHBondContact SG-NE2 2.8Å; C459-H472 VanDerWaalsContact SG-NE2 3.38Å; F463-H472 HydrophobicContact CE1-CB 4.15Å; F463-H472 HydrophobicContact CE2-CB 3.83Å; F463-H472 AromaticContact CE2-CD2 3.76Å; F463-H472 AromaticContact CE2-CG 3.61Å; F463-H472 HydrophobicContact CZ-CB 3.59Å; F463-H472 AromaticContact CZ-CD2 3.86Å; F463-H472 AromaticContact CZ-CE1 3.77Å; F463-H472 AromaticContact CZ-CG 3.32Å; F463-H472 AromaticContact CZ-ND1 3.31Å; F463-H472 VanDerWaalsContact CZ-ND1 3.31Å; F463-H472 WeakPolarHBondContact CZ-ND1 3.4Å; G468-H472 WeakPolarHBondContact O-CB 3.21Å; G468-H472 PolarHBondContact O-N 3.32Å; L469-H472 CarbonylContact O-C 3.59Å; L469-H472 WeakPolarHBondContact O-CA 3.41Å; L469-H472 VanDerWaalsContact O-CB 3.27Å; L469-H472 WeakPolarHBondContact O-CB 3.27Å; L469-H472 PolarHBondContact O-N 3.05Å; I470-H472 PolarHBondContact O-N 2.85Å; I470-H472 VanDerWaalsContact O-N 3.17Å; H472-R475 PolarHBondContact CE1-NE 3.45Å; H472-R475 PolarHBondContact CE1-NH2 2.58Å; H472-R475 PolarHBondContact NE2-NH2 3.44Å; H472-R475 WeakPolarHBondContact O-CB 3.42Å; H472-R475 PolarHBondContact O-N 3.32Å; H472-R475 VanDerWaalsContact O-N 3.15Å; H472-H476 AromaticContact NE2-NE2 3.73Å
473	L	67.5	Low	68.1	Low	54 Å²	54	70.4 Å²	70.4	28%	0.283	35%	0.346	S	S	.	.	H	α-helix	trans	-66.7	-35.9	178	-69	170.2	0	0	0	111.6	E458 L469 I470 R475 H476 S477	E458-L473 WeakPolarHBondContact OE2-CD2 3.38Å; L469-L473 HydrophobicContact CD1-CD1 4.17Å; L469-L473 HydrophobicContact CD1-CD2 4.28Å; L469-L473 HydrophobicContact CD1-CG 3.97Å; L469-L473 HydrophobicContact CG-CD1 4.05Å; L469-L473 HydrophobicContact CG-CG 4.32Å; L469-L473 WeakPolarHBondContact O-CG 3.37Å; L469-L473 PolarHBondContact O-N 3.49Å; I470-L473 HydrophobicContact CD1-CD1 4.4Å; I470-L473 PolarHBondContact O-N 3.11Å; I470-L473 VanDerWaalsContact O-N 3.14Å; L473-R475 PolarHBondContact O-N 3.47Å; L473-H476 WeakPolarHBondContact O-CA 3.33Å; L473-H476 WeakPolarHBondContact O-CB 3.39Å; L473-H476 PolarHBondContact O-N 3Å; L473-S477 PolarHBondContact O-N 2.78Å; L473-S477 PolarHBondContact O-OG 3.44Å
474	R	76.5	Confident	67.9	Low	52 Å²	52	68.3 Å²	68.3	20%	0.196	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-16	170.1	-66.1	-179	-179	168.1	3	114.8	I470 G478 E479 S492	I470-R474 PolarHBondContact O-N 3.39Å; R474-G478 CarbonylContact O-C 3.58Å; R474-G478 WeakPolarHBondContact O-CA 3.04Å; R474-G478 PolarHBondContact O-N 2.96Å; R474-E479 HydrophobicContact CB-CB 4.31Å; R474-E479 HydrophobicContact CG-CB 4.11Å; R474-E479 IonicContact NE-OE2 2.99Å; R474-E479 PolarHBondContact O-N 3.38Å; R474-S492 PolarHBondContact NH1-O 3.26Å
475	R	58.3	Low	68.3	Low	135 Å²	135	71 Å²	71	51%	0.509	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-19.2	174	-169.6	-169.7	53.2	65	10.8	112.8	H472 L473	H472-R475 PolarHBondContact CE1-NE 3.45Å; H472-R475 PolarHBondContact CE1-NH2 2.58Å; H472-R475 PolarHBondContact NE2-NH2 3.44Å; H472-R475 WeakPolarHBondContact O-CB 3.42Å; H472-R475 PolarHBondContact O-N 3.32Å; H472-R475 VanDerWaalsContact O-N 3.15Å; L473-R475 PolarHBondContact O-N 3.47Å
476	H	61.3	Low	68	Low	64 Å²	64	70.2 Å²	70.2	30%	0.296	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-51.4	178.1	-65.5	-70.2	0	0	0	110.8	C456 E458 C459 H472 L473 G478	C456-H476 PolarHBondContact SG-NE2 3.42Å; E458-H476 VanDerWaalsContact OE2-CB 3.25Å; E458-H476 WeakPolarHBondContact OE2-CB 3.41Å; E458-H476 IonicContact OE2-CD2 2.62Å; E458-H476 PolarHBondContact OE2-CD2 3.48Å; E458-H476 IonicContact OE2-CG 3.34Å; E458-H476 IonicContact OE2-NE2 1.84Å; C459-H476 PolarHBondContact SG-NE2 3.34Å; H472-H476 AromaticContact NE2-NE2 3.73Å; L473-H476 WeakPolarHBondContact O-CA 3.33Å; L473-H476 WeakPolarHBondContact O-CB 3.39Å; L473-H476 PolarHBondContact O-N 3Å; H476-G478 PolarHBondContact O-N 3.21Å
477	S	62.8	Low	67.8	Low	68 Å²	68	70 Å²	70	48%	0.476	36%	0.362	S	S	.	.	S	Bend	trans	-64.8	-23.1	172.3	63.3	0	0	0	0	113.2	L473 E479	L473-S477 PolarHBondContact O-N 2.78Å; L473-S477 PolarHBondContact O-OG 3.44Å; S477-E479 VanDerWaalsContact C-N 3.28Å; S477-E479 WeakPolarHBondContact CB-OE1 3.4Å; S477-E479 PolarHBondContact O-N 2.9Å; S477-E479 VanDerWaalsContact OG-CD 3.25Å; S477-E479 WeakPolarHBondContact OG-CG 3.31Å; S477-E479 PolarHBondContact OG-OE1 3.27Å
478	G	58.4	Low	67.7	Low	46 Å²	46	69.1 Å²	69.1	47%	0.474	36%	0.363	S	S	.	.			trans	83.3	-1	177.7	0	0	0	0	0	114.6	R474 H476	R474-G478 CarbonylContact O-C 3.58Å; R474-G478 WeakPolarHBondContact O-CA 3.04Å; R474-G478 PolarHBondContact O-N 2.96Å; H476-G478 PolarHBondContact O-N 3.21Å
479	E	63.4	Low	67.1	Low	98 Å²	98	73 Å²	73	46%	0.458	37%	0.372	S	S	.	.			trans	-48.9	136.6	177.6	-75.3	159.3	-118.9	0	0	113.8	R474 S477	R474-E479 HydrophobicContact CB-CB 4.31Å; R474-E479 HydrophobicContact CG-CB 4.11Å; R474-E479 IonicContact NE-OE2 2.99Å; R474-E479 PolarHBondContact O-N 3.38Å; S477-E479 VanDerWaalsContact C-N 3.28Å; S477-E479 WeakPolarHBondContact CB-OE1 3.4Å; S477-E479 PolarHBondContact O-N 2.9Å; S477-E479 VanDerWaalsContact OG-CD 3.25Å; S477-E479 WeakPolarHBondContact OG-CG 3.31Å; S477-E479 PolarHBondContact OG-OE1 3.27Å
480	R	70.4	Confident	66.6	Low	148 Å²	148	75.1 Å²	75.1	56%	0.558	39%	0.386	S	S	*	.			trans	-142.1	75.7	175.4	-63.4	-172.1	-163.6	-176.9	8.7	111.3	Y482 V490 F491	R480-Y482 PolarHBondContact O-N 3.18Å; R480-V490 HydrophobicContact CB-CB 3.72Å; R480-V490 HydrophobicContact CB-CG2 4.01Å; R480-V490 WeakPolarHBondContact CD-O 3.48Å; R480-V490 PolarHBondContact NH1-O 3.48Å; R480-F491 CarbonylContact C-O 3.58Å; R480-F491 VanDerWaalsContact CA-O 3.26Å; R480-F491 WeakPolarHBondContact CA-O 3.43Å; R480-F491 WeakPolarHBondContact CB-O 3.46Å
481	P	73.1	Confident	66.8	Low	75 Å²	75	74.7 Å²	74.7	49%	0.487	38%	0.382	S	S	.	.			trans	-61	-28.9	-172.1	-24.8	35.5	0	0	0	114.1	K483	P481-K483 PolarHBondContact O-N 3.37Å
482	Y	74.9	Confident	66.8	Low	75 Å²	75	73.2 Å²	73.2	29%	0.294	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	93.4	-169.9	-50.4	-76	0	0	0	110.6	R480 F491 Q493 N494	R480-Y482 PolarHBondContact O-N 3.18Å; Y482-F491 WeakPolarHBondContact CD2-O 3.37Å; Y482-F491 PolarHBondContact N-O 3.1Å; Y482-F491 VanDerWaalsContact N-O 3.11Å; Y482-F491 PolarHBondContact O-N 2.95Å; Y482-Q493 VanDerWaalsContact CD2-CA 3.47Å; Y482-N494 HydrophobicContact CD1-CB 3.71Å; Y482-N494 VanDerWaalsContact CD2-N 3.28Å; Y482-N494 HydrophobicContact CE1-CB 3.75Å; Y482-N494 HydrophobicContact CG-CB 4.12Å
483	K	64.8	Low	67	Low	126 Å²	126	74.5 Å²	74.5	55%	0.548	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	139.3	176.3	-173.2	-178.4	174.2	-170.1	0	111	P481 V490 L497	P481-K483 PolarHBondContact O-N 3.37Å; K483-V490 HydrophobicContact CB-CG1 4.01Å; K483-V490 HydrophobicContact CG-CG1 4.08Å; K483-L497 WeakPolarHBondContact O-CD2 3.34Å
484	C	71	Confident	67.1	Low	0 Å²	0	75.5 Å²	75.5	0%	0	39%	0.39	C	S	.	.			trans	-90	110.9	169.8	175.1	0	0	0	0	109.6	E486 C487 G488 K489 F491 L497 H504	C484-E486 VanDerWaalsContact C-N 3.26Å; C484-E486 PolarHBondContact O-N 3.34Å; C484-C487 PolarHBondContact O-N 2.79Å; C484-C487 VanDerWaalsContact SG-SG 3.63Å; C484-G488 WeakPolarHBondContact O-CA 3.47Å; C484-G488 PolarHBondContact O-N 2.94Å; C484-K489 HydrophobicContact CB-CB 4.5Å; C484-K489 VanDerWaalsContact CB-O 3.3Å; C484-K489 WeakPolarHBondContact CB-O 3.48Å; C484-K489 PolarHBondContact N-O 3.36Å; C484-F491 HydrophobicContact CB-CE2 4.28Å; C484-L497 HydrophobicContact CB-CD1 3.5Å; C484-L497 VanDerWaalsContact CB-CD1 3.5Å; C484-H504 PolarHBondContact SG-NE2 3.09Å
485	N	71.3	Confident	66.8	Low	134 Å²	134	75.6 Å²	75.6	72%	0.717	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-34.3	-177.2	-63.1	-1.7	0	0	0	111.8	C487	N485-C487 VanDerWaalsContact C-N 3.33Å; N485-C487 PolarHBondContact O-N 2.87Å
486	E	64.4	Low	67.3	Low	96 Å²	96	74.9 Å²	74.9	45%	0.449	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-18.9	-179.1	-60.5	162.2	124.9	0	0	114.6	C484 H504	C484-E486 VanDerWaalsContact C-N 3.26Å; C484-E486 PolarHBondContact O-N 3.34Å; E486-H504 HydrophobicContact CB-CB 4.49Å; E486-H504 IonicContact OE2-CD2 3.22Å; E486-H504 PolarHBondContact OE2-CD2 3.2Å; E486-H504 IonicContact OE2-CG 3.95Å
487	C	63.7	Low	67.9	Low	49 Å²	49	72.5 Å²	72.5	33%	0.331	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155	16.5	-179.9	75.4	0	0	0	0	116.6	C484 N485 K489 H500 H504	C484-C487 PolarHBondContact O-N 2.79Å; C484-C487 VanDerWaalsContact SG-SG 3.63Å; N485-C487 VanDerWaalsContact C-N 3.33Å; N485-C487 PolarHBondContact O-N 2.87Å; C487-K489 PolarHBondContact O-N 2.95Å; C487-K489 PolarHBondContact SG-NZ 3.38Å; C487-H500 PolarHBondContact SG-NE2 3.26Å; C487-H504 PolarHBondContact SG-CE1 3.28Å; C487-H504 PolarHBondContact SG-NE2 3.17Å
488	G	65.1	Low	68.3	Low	45 Å²	45	72.7 Å²	72.7	46%	0.464	38%	0.384	S	S	.	.			trans	67.3	-0.9	176.6	0	0	0	0	0	116.8	C484 V490	C484-G488 WeakPolarHBondContact O-CA 3.47Å; C484-G488 PolarHBondContact O-N 2.94Å; G488-V490 PolarHBondContact O-N 3.18Å
489	K	57.6	Low	68.6	Low	107 Å²	107	72.6 Å²	72.6	47%	0.465	37%	0.373	S	S	.	.			trans	-71.4	131.2	-177.9	-68.6	-170.7	-158.6	77	0	111.5	C484 C487 F491	C484-K489 HydrophobicContact CB-CB 4.5Å; C484-K489 VanDerWaalsContact CB-O 3.3Å; C484-K489 WeakPolarHBondContact CB-O 3.48Å; C484-K489 PolarHBondContact N-O 3.36Å; C487-K489 PolarHBondContact O-N 2.95Å; C487-K489 PolarHBondContact SG-NZ 3.38Å; K489-F491 HydrophobicContact CB-CE2 3.64Å; K489-F491 HydrophobicContact CB-CZ 3.97Å; K489-F491 WeakPolarHBondContact O-CD2 3.16Å; K489-F491 VanDerWaalsContact O-CE2 3.28Å; K489-F491 WeakPolarHBondContact O-CE2 3.32Å
490	V	65.1	Low	68.9	Low	62 Å²	62	68.8 Å²	68.8	38%	0.376	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	138.5	-179.3	-72.8	0	0	0	0	112.7	R480 K483 G488	R480-V490 HydrophobicContact CB-CB 3.72Å; R480-V490 HydrophobicContact CB-CG2 4.01Å; R480-V490 WeakPolarHBondContact CD-O 3.48Å; R480-V490 PolarHBondContact NH1-O 3.48Å; K483-V490 HydrophobicContact CB-CG1 4.01Å; K483-V490 HydrophobicContact CG-CG1 4.08Å; G488-V490 PolarHBondContact O-N 3.18Å
491	F	73.8	Confident	68.7	Low	45 Å²	45	64.7 Å²	64.7	20%	0.197	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	150.4	-174.8	-60.8	-93.8	0	0	0	111.9	R480 Y482 C484 K489 L497 H500	R480-F491 CarbonylContact C-O 3.58Å; R480-F491 VanDerWaalsContact CA-O 3.26Å; R480-F491 WeakPolarHBondContact CA-O 3.43Å; R480-F491 WeakPolarHBondContact CB-O 3.46Å; Y482-F491 WeakPolarHBondContact CD2-O 3.37Å; Y482-F491 PolarHBondContact N-O 3.1Å; Y482-F491 VanDerWaalsContact N-O 3.11Å; Y482-F491 PolarHBondContact O-N 2.95Å; C484-F491 HydrophobicContact CB-CE2 4.28Å; K489-F491 HydrophobicContact CB-CE2 3.64Å; K489-F491 HydrophobicContact CB-CZ 3.97Å; K489-F491 WeakPolarHBondContact O-CD2 3.16Å; K489-F491 VanDerWaalsContact O-CE2 3.28Å; K489-F491 WeakPolarHBondContact O-CE2 3.32Å; F491-L497 HydrophobicContact CB-CB 4.5Å; F491-L497 HydrophobicContact CD2-CB 4.27Å; F491-L497 HydrophobicContact CD2-CD1 4.19Å; F491-L497 HydrophobicContact CE2-CD1 4.43Å; F491-L497 HydrophobicContact CG-CB 4.5Å; F491-H500 HydrophobicContact CE1-CB 4.13Å; F491-H500 HydrophobicContact CE2-CB 4.11Å; F491-H500 AromaticContact CE2-CD2 3.32Å; F491-H500 WeakPolarHBondContact CE2-CD2 3.36Å; F491-H500 AromaticContact CE2-CG 3.94Å; F491-H500 HydrophobicContact CZ-CB 3.67Å; F491-H500 AromaticContact CZ-CD2 3.23Å; F491-H500 WeakPolarHBondContact CZ-CD2 3.5Å; F491-H500 AromaticContact CZ-CG 3.47Å; F491-H500 VanDerWaalsContact CZ-CG 3.47Å
492	S	69.6	Low	68.6	Low	36 Å²	36	64.5 Å²	64.5	25%	0.252	33%	0.332	S	S	.	.	S	Bend	trans	-87.6	-7.6	-178.7	53.7	0	0	0	0	115	R474	R474-S492 PolarHBondContact NH1-O 3.26Å
493	Q	73.3	Confident	67.8	Low	49 Å²	49	66.1 Å²	66.1	23%	0.229	35%	0.345	C	S	.	.	S	Bend	trans	-143.6	137.9	176.2	-61.1	174.9	36	0	0	110.3	I471 Y482 A495 Y496 L497	I471-Q493 HydrophobicContact CD1-CG 4.47Å; I471-Q493 HydrophobicContact CG1-CG 4.43Å; I471-Q493 HydrophobicContact CG2-CG 4.13Å; Y482-Q493 VanDerWaalsContact CD2-CA 3.47Å; Q493-A495 VanDerWaalsContact C-N 3.27Å; Q493-A495 PolarHBondContact O-N 3.19Å; Q493-Y496 HydrophobicContact CB-CD2 3.87Å; Q493-Y496 HydrophobicContact CB-CE2 4.21Å; Q493-Y496 HydrophobicContact CB-CG 4.48Å; Q493-Y496 HydrophobicContact CG-CD2 4.26Å; Q493-Y496 HydrophobicContact CG-CE2 4.14Å; Q493-Y496 PolarHBondContact O-N 3.18Å; Q493-L497 PolarHBondContact O-N 2.92Å
494	N	70.8	Confident	67.6	Low	76 Å²	76	63.6 Å²	63.6	41%	0.406	34%	0.335	S	S	.	.	H	α-helix	trans	-58.3	-37.5	179.4	-166.2	3.2	0	0	0	112.5	Y482 Y496 L497 I498	Y482-N494 HydrophobicContact CD1-CB 3.71Å; Y482-N494 VanDerWaalsContact CD2-N 3.28Å; Y482-N494 HydrophobicContact CE1-CB 3.75Å; Y482-N494 HydrophobicContact CG-CB 4.12Å; N494-Y496 PolarHBondContact O-N 3.26Å; N494-Y496 VanDerWaalsContact O-N 3.11Å; N494-L497 WeakPolarHBondContact O-CA 3.46Å; N494-L497 WeakPolarHBondContact O-CB 3.43Å; N494-L497 PolarHBondContact O-N 3.04Å; N494-I498 WeakPolarHBondContact O-CG1 3.41Å; N494-I498 PolarHBondContact O-N 2.49Å
495	A	70.2	Confident	67.1	Low	54 Å²	54	70.4 Å²	70.4	45%	0.446	36%	0.364	S	S	.	.	H	α-helix	trans	-55.3	-33.8	176.5	0	0	0	0	0	113.6	Q493 D499	Q493-A495 VanDerWaalsContact C-N 3.27Å; Q493-A495 PolarHBondContact O-N 3.19Å; A495-D499 WeakPolarHBondContact O-CB 3.39Å; A495-D499 PolarHBondContact O-N 3.2Å
496	Y	69.1	Low	66.4	Low	120 Å²	120	66.8 Å²	66.8	47%	0.471	36%	0.358	S	S	.	.	H	α-helix	trans	-80	-25	175.5	-59.4	-37	0	0	0	113.4	Q493 N494 H500	Q493-Y496 HydrophobicContact CB-CD2 3.87Å; Q493-Y496 HydrophobicContact CB-CE2 4.21Å; Q493-Y496 HydrophobicContact CB-CG 4.48Å; Q493-Y496 HydrophobicContact CG-CD2 4.26Å; Q493-Y496 HydrophobicContact CG-CE2 4.14Å; Q493-Y496 PolarHBondContact O-N 3.18Å; N494-Y496 PolarHBondContact O-N 3.26Å; N494-Y496 VanDerWaalsContact O-N 3.11Å; Y496-H500 VanDerWaalsContact O-CB 3.26Å; Y496-H500 WeakPolarHBondContact O-CB 3.5Å; Y496-H500 PolarHBondContact O-N 2.89Å; Y496-H500 VanDerWaalsContact O-N 3.09Å
497	L	73.7	Confident	66	Low	14 Å²	14	66.4 Å²	66.4	7%	0.073	36%	0.357	C	S	.	.	H	α-helix	trans	-69.2	-46.5	168.8	171.3	59.7	0	0	0	110.3	K483 C484 F491 Q493 N494 H500 Q501	K483-L497 WeakPolarHBondContact O-CD2 3.34Å; C484-L497 HydrophobicContact CB-CD1 3.5Å; C484-L497 VanDerWaalsContact CB-CD1 3.5Å; F491-L497 HydrophobicContact CB-CB 4.5Å; F491-L497 HydrophobicContact CD2-CB 4.27Å; F491-L497 HydrophobicContact CD2-CD1 4.19Å; F491-L497 HydrophobicContact CE2-CD1 4.43Å; F491-L497 HydrophobicContact CG-CB 4.5Å; Q493-L497 PolarHBondContact O-N 2.92Å; N494-L497 WeakPolarHBondContact O-CA 3.46Å; N494-L497 WeakPolarHBondContact O-CB 3.43Å; N494-L497 PolarHBondContact O-N 3.04Å; L497-H500 CarbonylContact O-C 3.52Å; L497-H500 WeakPolarHBondContact O-CA 3.5Å; L497-H500 WeakPolarHBondContact O-CB 3.41Å; L497-H500 PolarHBondContact O-N 3.27Å; L497-Q501 HydrophobicContact CD1-CG 3.98Å; L497-Q501 HydrophobicContact CG-CG 4.42Å; L497-Q501 WeakPolarHBondContact O-CG 3.49Å; L497-Q501 PolarHBondContact O-N 3.49Å
498	I	70.5	Confident	65.8	Low	71 Å²	71	68.7 Å²	68.7	36%	0.364	36%	0.363	S	S	.	.	H	α-helix	trans	-62.5	-45.7	177.6	-63.4	166.3	0	0	0	111.1	N494 H500 Q501 R502	N494-I498 WeakPolarHBondContact O-CG1 3.41Å; N494-I498 PolarHBondContact O-N 2.49Å; I498-H500 PolarHBondContact O-N 2.77Å; I498-Q501 PolarHBondContact O-N 3.39Å; I498-R502 PolarHBondContact O-N 2.85Å
499	D	64.8	Low	65.9	Low	45 Å²	45	70.1 Å²	70.1	24%	0.241	36%	0.364	C	S	.	.	H	α-helix	trans	-63.1	-23.4	172.5	-77.1	-15	0	0	0	112.5	A495 R502	A495-D499 WeakPolarHBondContact O-CB 3.39Å; A495-D499 PolarHBondContact O-N 3.2Å; D499-R502 IonicContact OD1-CZ 3.76Å; D499-R502 IonicContact OD1-NH1 3.31Å; D499-R502 PolarHBondContact OD1-NH1 2.43Å; D499-R502 IonicContact OD1-NH2 3.88Å
500	H	69.6	Low	66.4	Low	17 Å²	17	69.2 Å²	69.2	8%	0.079	36%	0.358	C	S	.	.	H	α-helix	trans	-82	-42	174.3	-179.1	33.7	0	0	0	113.1	C487 F491 Y496 L497 I498 R502 L503 H504	C487-H500 PolarHBondContact SG-NE2 3.26Å; F491-H500 HydrophobicContact CE1-CB 4.13Å; F491-H500 HydrophobicContact CE2-CB 4.11Å; F491-H500 AromaticContact CE2-CD2 3.32Å; F491-H500 WeakPolarHBondContact CE2-CD2 3.36Å; F491-H500 AromaticContact CE2-CG 3.94Å; F491-H500 HydrophobicContact CZ-CB 3.67Å; F491-H500 AromaticContact CZ-CD2 3.23Å; F491-H500 WeakPolarHBondContact CZ-CD2 3.5Å; F491-H500 AromaticContact CZ-CG 3.47Å; F491-H500 VanDerWaalsContact CZ-CG 3.47Å; Y496-H500 VanDerWaalsContact O-CB 3.26Å; Y496-H500 WeakPolarHBondContact O-CB 3.5Å; Y496-H500 PolarHBondContact O-N 2.89Å; Y496-H500 VanDerWaalsContact O-N 3.09Å; L497-H500 CarbonylContact O-C 3.52Å; L497-H500 WeakPolarHBondContact O-CA 3.5Å; L497-H500 WeakPolarHBondContact O-CB 3.41Å; L497-H500 PolarHBondContact O-N 3.27Å; I498-H500 PolarHBondContact O-N 2.77Å; H500-R502 PolarHBondContact O-N 3.07Å; H500-L503 WeakPolarHBondContact ND1-CD1 3.33Å; H500-L503 WeakPolarHBondContact O-CB 3.48Å; H500-L503 PolarHBondContact O-N 2.99Å; H500-H504 AromaticContact CD2-NE2 3.97Å; H500-H504 AromaticContact CE1-CE1 3.85Å; H500-H504 AromaticContact CE1-NE2 3.32Å; H500-H504 PolarHBondContact CE1-NE2 3.12Å; H500-H504 VanDerWaalsContact CE1-NE2 3.32Å; H500-H504 AromaticContact NE2-CE1 4Å; H500-H504 AromaticContact NE2-NE2 3.22Å; H500-H504 PolarHBondContact NE2-NE2 3.17Å
501	Q	67.1	Low	66.6	Low	62 Å²	62	72.5 Å²	72.5	29%	0.29	37%	0.367	S	S	.	.	H	α-helix	trans	-60.2	-31.2	-179.7	-73.9	164.5	-46.8	0	0	112.1	L497 I498 L503 H504 K505	L497-Q501 HydrophobicContact CD1-CG 3.98Å; L497-Q501 HydrophobicContact CG-CG 4.42Å; L497-Q501 WeakPolarHBondContact O-CG 3.49Å; L497-Q501 PolarHBondContact O-N 3.49Å; I498-Q501 PolarHBondContact O-N 3.39Å; Q501-L503 PolarHBondContact O-N 2.92Å; Q501-H504 PolarHBondContact O-N 3.24Å; Q501-K505 PolarHBondContact O-N 2.85Å; Q501-K505 VanDerWaalsContact O-N 3.15Å
502	R	69.3	Low	66.5	Low	72 Å²	72	70.4 Å²	70.4	27%	0.272	36%	0.358	S	S	.	.	H	α-helix	trans	-59.8	-24.2	170.9	-65.2	-172.5	-159.9	116.3	11.7	114.1	I498 D499 H500 H504 G506 E507 I520	I498-R502 PolarHBondContact O-N 2.85Å; D499-R502 IonicContact OD1-CZ 3.76Å; D499-R502 IonicContact OD1-NH1 3.31Å; D499-R502 PolarHBondContact OD1-NH1 2.43Å; D499-R502 IonicContact OD1-NH2 3.88Å; H500-R502 PolarHBondContact O-N 3.07Å; R502-H504 VanDerWaalsContact C-N 3.34Å; R502-G506 PolarHBondContact O-N 2.86Å; R502-E507 HydrophobicContact CB-CB 4.26Å; R502-E507 HydrophobicContact CG-CB 4.47Å; R502-E507 PolarHBondContact O-N 2.88Å; R502-E507 VanDerWaalsContact O-N 3.12Å; R502-I520 HydrophobicContact CB-CD1 4.44Å; R502-I520 HydrophobicContact CB-CG2 3.62Å; R502-I520 HydrophobicContact CG-CG2 4.36Å
503	L	58.4	Low	66.5	Low	109 Å²	109	75.3 Å²	75.3	57%	0.571	38%	0.382	S	S	*	.	H	α-helix	trans	-68.7	-31.7	171.7	-73.2	157	0	0	0	112.4	H500 Q501 I520	H500-L503 WeakPolarHBondContact ND1-CD1 3.33Å; H500-L503 WeakPolarHBondContact O-CB 3.48Å; H500-L503 PolarHBondContact O-N 2.99Å; Q501-L503 PolarHBondContact O-N 2.92Å; L503-I520 HydrophobicContact CB-CD1 4.21Å; L503-I520 HydrophobicContact CD2-CD1 3.35Å; L503-I520 HydrophobicContact CG-CD1 3.42Å; L503-I520 VanDerWaalsContact CG-CD1 3.42Å
504	H	60.3	Low	66.2	Low	73 Å²	73	80.3 Å²	80.3	34%	0.338	40%	0.403	S	S	.	.	H	α-helix	trans	-81.4	-40	-179.5	-62.9	-57.8	0	0	0	111.4	C484 E486 C487 H500 Q501 R502 G506	C484-H504 PolarHBondContact SG-NE2 3.09Å; E486-H504 HydrophobicContact CB-CB 4.49Å; E486-H504 IonicContact OE2-CD2 3.22Å; E486-H504 PolarHBondContact OE2-CD2 3.2Å; E486-H504 IonicContact OE2-CG 3.95Å; C487-H504 PolarHBondContact SG-CE1 3.28Å; C487-H504 PolarHBondContact SG-NE2 3.17Å; H500-H504 AromaticContact CD2-NE2 3.97Å; H500-H504 AromaticContact CE1-CE1 3.85Å; H500-H504 AromaticContact CE1-NE2 3.32Å; H500-H504 PolarHBondContact CE1-NE2 3.12Å; H500-H504 VanDerWaalsContact CE1-NE2 3.32Å; H500-H504 AromaticContact NE2-CE1 4Å; H500-H504 AromaticContact NE2-NE2 3.22Å; H500-H504 PolarHBondContact NE2-NE2 3.17Å; Q501-H504 PolarHBondContact O-N 3.24Å; R502-H504 VanDerWaalsContact C-N 3.34Å; H504-G506 PolarHBondContact O-N 2.88Å
505	K	61.2	Low	66	Low	142 Å²	142	79 Å²	79	62%	0.617	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-4.2	175	-61.7	-167.8	175.8	-170.2	0	114.6	Q501 E507	Q501-K505 PolarHBondContact O-N 2.85Å; Q501-K505 VanDerWaalsContact O-N 3.15Å; K505-E507 HydrophobicContact CB-CG 3.97Å; K505-E507 WeakPolarHBondContact CD-OE1 3.44Å; K505-E507 PolarHBondContact O-N 3.12Å
506	G	57.1	Low	65.6	Low	58 Å²	58	83 Å²	83	60%	0.598	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	14.9	-176.6	0	0	0	0	0	114.1	R502 H504 E508	R502-G506 PolarHBondContact O-N 2.86Å; H504-G506 PolarHBondContact O-N 2.88Å; G506-E508 PolarHBondContact O-N 3.04Å; G506-E508 VanDerWaalsContact O-N 3.16Å
507	E	56.2	Low	65	Low	89 Å²	89	83.6 Å²	83.6	42%	0.416	41%	0.413	S	S	.	.			trans	-75.6	103.5	-178	-72.9	174.7	-149	0	0	110	R502 K505 P509	R502-E507 HydrophobicContact CB-CB 4.26Å; R502-E507 HydrophobicContact CG-CB 4.47Å; R502-E507 PolarHBondContact O-N 2.88Å; R502-E507 VanDerWaalsContact O-N 3.12Å; K505-E507 HydrophobicContact CB-CG 3.97Å; K505-E507 WeakPolarHBondContact CD-OE1 3.44Å; K505-E507 PolarHBondContact O-N 3.12Å; E507-P509 WeakPolarHBondContact O-CD 3.29Å
508	E	59.9	Low	64.6	Low	97 Å²	97	83.5 Å²	83.5	45%	0.453	41%	0.414	S	S	.	.			trans	-112.1	78.6	169.7	-56.6	-164.4	110.7	0	0	110.7	G506 Y510 A518 I520	G506-E508 PolarHBondContact O-N 3.04Å; G506-E508 VanDerWaalsContact O-N 3.16Å; E508-Y510 VanDerWaalsContact C-N 3.25Å; E508-Y510 PolarHBondContact O-N 3.11Å; E508-A518 HydrophobicContact CB-CB 3.41Å; E508-A518 VanDerWaalsContact CB-CB 3.41Å; E508-A518 HydrophobicContact CG-CB 4.29Å; E508-I520 HydrophobicContact CG-CG1 4.35Å
509	P	65.4	Low	64.6	Low	74 Å²	74	82.1 Å²	82.1	48%	0.481	41%	0.406	S	S	.	.			trans	-71.6	-19.3	-166.7	-18	33.7	0	0	0	113.6	E507	E507-P509 WeakPolarHBondContact O-CD 3.29Å
510	Y	69.8	Low	64.5	Low	89 Å²	89	81.1 Å²	81.1	35%	0.349	40%	0.4	S	S	.	.			trans	-106.8	78.6	-172.7	-53.8	-67.1	0	0	0	110.7	E508 F519 I520 L521 K522	E508-Y510 VanDerWaalsContact C-N 3.25Å; E508-Y510 PolarHBondContact O-N 3.11Å; Y510-F519 WeakPolarHBondContact CB-O 3.35Å; Y510-F519 WeakPolarHBondContact CD2-O 3.18Å; Y510-F519 PolarHBondContact N-O 2.81Å; Y510-F519 PolarHBondContact O-N 3.22Å; Y510-I520 WeakPolarHBondContact CE2-O 3.3Å; Y510-L521 VanDerWaalsContact CD2-C 3.47Å; Y510-K522 HydrophobicContact CD1-CB 3.91Å; Y510-K522 HydrophobicContact CD1-CG 4.15Å; Y510-K522 HydrophobicContact CD2-CB 4.17Å; Y510-K522 HydrophobicContact CE1-CB 3.82Å; Y510-K522 HydrophobicContact CE1-CD 4.2Å; Y510-K522 HydrophobicContact CE1-CG 4.19Å; Y510-K522 HydrophobicContact CE2-CB 4.05Å; Y510-K522 HydrophobicContact CG-CB 4.08Å
511	K	67.8	Low	64.3	Low	130 Å²	130	83.6 Å²	83.6	57%	0.565	41%	0.414	S	S	*	.			trans	-74.7	146.7	178.7	-51.5	-161.4	174.5	-179.4	0	112.1	A518 L525	K511-A518 HydrophobicContact CB-CB 4.27Å; K511-A518 HydrophobicContact CG-CB 3.79Å; K511-L525 WeakPolarHBondContact O-CD2 3.31Å
512	C	73.4	Confident	64.4	Low	2 Å²	2	87 Å²	87	1%	0.014	43%	0.427	C	S	.	.			trans	-100.8	105.1	177.6	-170	0	0	0	0	112.1	K514 C515 Q516 K517 F519 L525	C512-K514 PolarHBondContact O-N 3.24Å; C512-C515 PolarHBondContact O-N 3.31Å; C512-Q516 WeakPolarHBondContact O-CA 3.2Å; C512-Q516 PolarHBondContact O-N 2.94Å; C512-K517 WeakPolarHBondContact CB-O 3.45Å; C512-K517 PolarHBondContact N-O 3.46Å; C512-F519 HydrophobicContact CB-CE2 4.37Å; C512-L525 HydrophobicContact CB-CD1 3.56Å
513	N	69.7	Low	64.3	Low	139 Å²	139	92 Å²	92	74%	0.743	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-22.8	-175.6	-53.9	18.5	0	0	0	114.7
514	K	65.1	Low	64.8	Low	154 Å²	154	89 Å²	89	67%	0.67	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-15	179.9	-75.8	-169.3	172	-169.7	0	115.4	C512 H532	C512-K514 PolarHBondContact O-N 3.24Å; K514-H532 HydrophobicContact CD-CB 3.62Å; K514-H532 PolarHBondContact NZ-O 3.06Å
515	C	68.4	Low	65.5	Low	49 Å²	49	86.3 Å²	86.3	33%	0.331	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.7	9	-178.5	71.6	0	0	0	0	115.4	C512 K517 H528 H532	C512-C515 PolarHBondContact O-N 3.31Å; C515-K517 PolarHBondContact O-N 3.15Å; C515-H528 PolarHBondContact SG-NE2 2.77Å; C515-H532 PolarHBondContact SG-NE2 3.5Å; C515-H532 VanDerWaalsContact SG-NE2 3.36Å
516	Q	60.3	Low	66	Low	137 Å²	137	82.9 Å²	82.9	64%	0.64	42%	0.416	S	S	*	.			trans	56.2	4.5	-180	-54.4	-58.5	-13.7	0	0	117.2	C512 A518	C512-Q516 WeakPolarHBondContact O-CA 3.2Å; C512-Q516 PolarHBondContact O-N 2.94Å; Q516-A518 PolarHBondContact O-N 3.37Å
517	K	57.8	Low	66.5	Low	132 Å²	132	82.9 Å²	82.9	57%	0.574	40%	0.401	S	S	*	.			trans	-63.4	129	166.6	-67	-173.8	178.7	-176	0	109.8	C512 C515 F519	C512-K517 WeakPolarHBondContact CB-O 3.45Å; C512-K517 PolarHBondContact N-O 3.46Å; C515-K517 PolarHBondContact O-N 3.15Å; K517-F519 HydrophobicContact CB-CE2 4.08Å; K517-F519 HydrophobicContact CB-CZ 4.19Å; K517-F519 WeakPolarHBondContact O-CE2 3.37Å
518	A	64.1	Low	67.1	Low	12 Å²	12	79.7 Å²	79.7	10%	0.099	39%	0.387	C	S	.	.			trans	-107.3	166.3	178.2	0	0	0	0	0	111.6	E508 K511 Q516	E508-A518 HydrophobicContact CB-CB 3.41Å; E508-A518 VanDerWaalsContact CB-CB 3.41Å; E508-A518 HydrophobicContact CG-CB 4.29Å; K511-A518 HydrophobicContact CB-CB 4.27Å; K511-A518 HydrophobicContact CG-CB 3.79Å; Q516-A518 PolarHBondContact O-N 3.37Å
519	F	71.9	Confident	67.6	Low	43 Å²	43	79 Å²	79	19%	0.189	38%	0.383	C	S	.	.			trans	-146.5	143.6	-172.1	-60.4	-87.9	0	0	0	109.9	Y510 C512 K517 L521 L525 H528	Y510-F519 WeakPolarHBondContact CB-O 3.35Å; Y510-F519 WeakPolarHBondContact CD2-O 3.18Å; Y510-F519 PolarHBondContact N-O 2.81Å; Y510-F519 PolarHBondContact O-N 3.22Å; C512-F519 HydrophobicContact CB-CE2 4.37Å; K517-F519 HydrophobicContact CB-CE2 4.08Å; K517-F519 HydrophobicContact CB-CZ 4.19Å; K517-F519 WeakPolarHBondContact O-CE2 3.37Å; F519-L521 VanDerWaalsContact C-N 3.3Å; F519-L525 HydrophobicContact CB-CB 4.34Å; F519-L525 HydrophobicContact CD2-CB 3.99Å; F519-L525 HydrophobicContact CD2-CD1 3.91Å; F519-L525 HydrophobicContact CE2-CD1 4.19Å; F519-L525 HydrophobicContact CG-CB 4.36Å; F519-H528 HydrophobicContact CE1-CB 4.15Å; F519-H528 HydrophobicContact CE2-CB 3.79Å; F519-H528 AromaticContact CE2-CD2 3.39Å; F519-H528 WeakPolarHBondContact CE2-CD2 3.21Å; F519-H528 AromaticContact CE2-CG 3.66Å; F519-H528 HydrophobicContact CZ-CB 3.49Å; F519-H528 VanDerWaalsContact CZ-CB 3.49Å; F519-H528 AromaticContact CZ-CD2 3.46Å; F519-H528 VanDerWaalsContact CZ-CD2 3.46Å; F519-H528 WeakPolarHBondContact CZ-CD2 3.39Å; F519-H528 AromaticContact CZ-CG 3.32Å; F519-H528 AromaticContact CZ-ND1 3.95Å
520	I	62.1	Low	68.1	Low	24 Å²	24	78 Å²	78	12%	0.123	37%	0.37	C	S	.	.	S	Bend	trans	-77.2	-20	177.2	-59.1	-175.8	0	0	0	111.9	R502 L503 E508 Y510	R502-I520 HydrophobicContact CB-CD1 4.44Å; R502-I520 HydrophobicContact CB-CG2 3.62Å; R502-I520 HydrophobicContact CG-CG2 4.36Å; L503-I520 HydrophobicContact CB-CD1 4.21Å; L503-I520 HydrophobicContact CD2-CD1 3.35Å; L503-I520 HydrophobicContact CG-CD1 3.42Å; L503-I520 VanDerWaalsContact CG-CD1 3.42Å; E508-I520 HydrophobicContact CG-CG1 4.35Å; Y510-I520 WeakPolarHBondContact CE2-O 3.3Å
521	L	65.6	Low	67.9	Low	69 Å²	69	79.6 Å²	79.6	36%	0.361	38%	0.383	S	S	.	.	S	Bend	trans	-125.8	126	-177.3	-76.1	169.7	0	0	0	111.9	Y510 F519 K523 S524 L525	Y510-L521 VanDerWaalsContact CD2-C 3.47Å; F519-L521 VanDerWaalsContact C-N 3.3Å; L521-K523 PolarHBondContact O-N 3.05Å; L521-K523 VanDerWaalsContact O-N 3.15Å; L521-S524 WeakPolarHBondContact O-CA 3.45Å; L521-S524 WeakPolarHBondContact O-CB 3.33Å; L521-S524 PolarHBondContact O-N 2.83Å; L521-L525 PolarHBondContact O-N 2.83Å; L521-L525 VanDerWaalsContact O-N 3.14Å
522	K	69.1	Low	67.8	Low	132 Å²	132	76.5 Å²	76.5	57%	0.574	37%	0.37	S	S	*	.	H	α-helix	trans	-54.7	-34.2	176.8	-169.1	171.8	-179.1	173.7	0	112.9	Y510 S524 L525 I526	Y510-K522 HydrophobicContact CD1-CB 3.91Å; Y510-K522 HydrophobicContact CD1-CG 4.15Å; Y510-K522 HydrophobicContact CD2-CB 4.17Å; Y510-K522 HydrophobicContact CE1-CB 3.82Å; Y510-K522 HydrophobicContact CE1-CD 4.2Å; Y510-K522 HydrophobicContact CE1-CG 4.19Å; Y510-K522 HydrophobicContact CE2-CB 4.05Å; Y510-K522 HydrophobicContact CG-CB 4.08Å; K522-S524 VanDerWaalsContact C-N 3.32Å; K522-S524 PolarHBondContact O-N 2.94Å; K522-L525 PolarHBondContact O-N 3.25Å; K522-I526 HydrophobicContact CG-CD1 4.1Å; K522-I526 VanDerWaalsContact O-CG1 3.31Å; K522-I526 WeakPolarHBondContact O-CG1 3.4Å; K522-I526 PolarHBondContact O-N 2.91Å
523	K	66.9	Low	67.5	Low	177 Å²	177	79.1 Å²	79.1	77%	0.77	39%	0.389	S	S	*	.	H	α-helix	trans	-62.9	-36.2	174.2	-68.2	179.3	180	173.4	0	112.6	L521 L527	L521-K523 PolarHBondContact O-N 3.05Å; L521-K523 VanDerWaalsContact O-N 3.15Å; K523-L527 WeakPolarHBondContact O-CB 3.17Å; K523-L527 PolarHBondContact O-N 3.21Å
524	S	69.9	Low	67.3	Low	47 Å²	47	74.8 Å²	74.8	33%	0.329	38%	0.377	S	S	.	.	H	α-helix	trans	-72.9	-38.6	176.4	-56.9	0	0	0	0	111.6	L521 K522 L527 H528	L521-S524 WeakPolarHBondContact O-CA 3.45Å; L521-S524 WeakPolarHBondContact O-CB 3.33Å; L521-S524 PolarHBondContact O-N 2.83Å; K522-S524 VanDerWaalsContact C-N 3.32Å; K522-S524 PolarHBondContact O-N 2.94Å; S524-L527 PolarHBondContact O-N 3.31Å; S524-H528 VanDerWaalsContact O-CB 3.32Å; S524-H528 WeakPolarHBondContact O-CB 3.12Å; S524-H528 PolarHBondContact O-N 3.32Å
525	L	74.3	Confident	67.3	Low	17 Å²	17	72.2 Å²	72.2	9%	0.089	37%	0.367	C	S	.	.	H	α-helix	trans	-60.8	-48.4	171.1	174	62.6	0	0	0	111.4	K511 C512 F519 L521 K522 L527 H528 Q529	K511-L525 WeakPolarHBondContact O-CD2 3.31Å; C512-L525 HydrophobicContact CB-CD1 3.56Å; F519-L525 HydrophobicContact CB-CB 4.34Å; F519-L525 HydrophobicContact CD2-CB 3.99Å; F519-L525 HydrophobicContact CD2-CD1 3.91Å; F519-L525 HydrophobicContact CE2-CD1 4.19Å; F519-L525 HydrophobicContact CG-CB 4.36Å; L521-L525 PolarHBondContact O-N 2.83Å; L521-L525 VanDerWaalsContact O-N 3.14Å; K522-L525 PolarHBondContact O-N 3.25Å; L525-L527 VanDerWaalsContact C-N 3.34Å; L525-L527 PolarHBondContact O-N 3.15Å; L525-H528 CarbonylContact O-C 3.57Å; L525-H528 WeakPolarHBondContact O-CA 3.2Å; L525-H528 WeakPolarHBondContact O-CB 3.41Å; L525-H528 PolarHBondContact O-N 3.4Å; L525-Q529 HydrophobicContact CD1-CG 4.03Å; L525-Q529 HydrophobicContact CG-CG 4.32Å; L525-Q529 WeakPolarHBondContact O-CG 3.43Å; L525-Q529 PolarHBondContact O-N 3.49Å
526	I	71.6	Confident	67.5	Low	70 Å²	70	75.4 Å²	75.4	36%	0.359	38%	0.376	S	S	.	.	H	α-helix	trans	-60.6	-44	179.2	-68.4	163.5	0	0	0	111	K522 H528 Q529 R530	K522-I526 HydrophobicContact CG-CD1 4.1Å; K522-I526 VanDerWaalsContact O-CG1 3.31Å; K522-I526 WeakPolarHBondContact O-CG1 3.4Å; K522-I526 PolarHBondContact O-N 2.91Å; I526-H528 VanDerWaalsContact C-N 3.29Å; I526-H528 PolarHBondContact O-N 3.4Å; I526-Q529 PolarHBondContact O-N 3.1Å; I526-R530 PolarHBondContact O-N 2.92Å
527	L	67.7	Low	68.1	Low	58 Å²	58	72.4 Å²	72.4	30%	0.304	37%	0.368	S	S	.	.	H	α-helix	trans	-60.2	-38.8	173.1	171.5	63.6	0	0	0	112.2	K523 S524 L525 Q549	K523-L527 WeakPolarHBondContact O-CB 3.17Å; K523-L527 PolarHBondContact O-N 3.21Å; S524-L527 PolarHBondContact O-N 3.31Å; L525-L527 VanDerWaalsContact C-N 3.34Å; L525-L527 PolarHBondContact O-N 3.15Å; L527-Q549 HydrophobicContact CD1-CG 3.63Å; L527-Q549 VanDerWaalsContact CD1-NE2 3.32Å
528	H	69.3	Low	69	Low	22 Å²	22	69.5 Å²	69.5	10%	0.102	35%	0.354	C	S	.	.	H	α-helix	trans	-71.1	-37.1	177.8	-178.5	58.3	0	0	0	112.5	C515 F519 S524 L525 I526 R530 I531 H532	C515-H528 PolarHBondContact SG-NE2 2.77Å; F519-H528 HydrophobicContact CE1-CB 4.15Å; F519-H528 HydrophobicContact CE2-CB 3.79Å; F519-H528 AromaticContact CE2-CD2 3.39Å; F519-H528 WeakPolarHBondContact CE2-CD2 3.21Å; F519-H528 AromaticContact CE2-CG 3.66Å; F519-H528 HydrophobicContact CZ-CB 3.49Å; F519-H528 VanDerWaalsContact CZ-CB 3.49Å; F519-H528 AromaticContact CZ-CD2 3.46Å; F519-H528 VanDerWaalsContact CZ-CD2 3.46Å; F519-H528 WeakPolarHBondContact CZ-CD2 3.39Å; F519-H528 AromaticContact CZ-CG 3.32Å; F519-H528 AromaticContact CZ-ND1 3.95Å; S524-H528 VanDerWaalsContact O-CB 3.32Å; S524-H528 WeakPolarHBondContact O-CB 3.12Å; S524-H528 PolarHBondContact O-N 3.32Å; L525-H528 CarbonylContact O-C 3.57Å; L525-H528 WeakPolarHBondContact O-CA 3.2Å; L525-H528 WeakPolarHBondContact O-CB 3.41Å; L525-H528 PolarHBondContact O-N 3.4Å; I526-H528 VanDerWaalsContact C-N 3.29Å; I526-H528 PolarHBondContact O-N 3.4Å; H528-R530 VanDerWaalsContact C-N 3.26Å; H528-R530 PolarHBondContact O-N 3.42Å; H528-I531 VanDerWaalsContact O-CB 3.25Å; H528-I531 WeakPolarHBondContact O-CB 3.45Å; H528-I531 WeakPolarHBondContact O-CG1 3.35Å; H528-I531 PolarHBondContact O-N 3.23Å; H528-H532 AromaticContact CD2-NE2 3.67Å; H528-H532 AromaticContact CE1-NE2 3.46Å; H528-H532 PolarHBondContact CE1-NE2 2.83Å; H528-H532 AromaticContact NE2-CD2 3.82Å; H528-H532 AromaticContact NE2-CE1 3.94Å; H528-H532 AromaticContact NE2-NE2 2.97Å; H528-H532 PolarHBondContact NE2-NE2 2.84Å; H528-H532 PolarHBondContact O-CD2 3.48Å
529	Q	69.3	Low	69.1	Low	81 Å²	81	74.5 Å²	74.5	38%	0.379	37%	0.373	S	S	.	.	H	α-helix	trans	-59.1	-36.3	175	-75.6	168	-37.3	0	0	111.8	L525 I526 I531 H532 S533	L525-Q529 HydrophobicContact CD1-CG 4.03Å; L525-Q529 HydrophobicContact CG-CG 4.32Å; L525-Q529 WeakPolarHBondContact O-CG 3.43Å; L525-Q529 PolarHBondContact O-N 3.49Å; I526-Q529 PolarHBondContact O-N 3.1Å; Q529-I531 PolarHBondContact O-N 3.31Å; Q529-I531 VanDerWaalsContact O-N 3.15Å; Q529-H532 WeakPolarHBondContact O-CA 3.46Å; Q529-H532 WeakPolarHBondContact O-CB 3.3Å; Q529-H532 PolarHBondContact O-N 2.83Å; Q529-S533 PolarHBondContact O-N 3.31Å; Q529-S533 PolarHBondContact O-OG 2.93Å
530	R	76.6	Confident	69.2	Low	53 Å²	53	72.4 Å²	72.4	20%	0.2	36%	0.364	C	S	.	.	H	α-helix	trans	-61.3	-18.8	172.6	-65.7	-179.6	179	162.8	3	114.7	I526 H528 H532 G534 E535 A548	I526-R530 PolarHBondContact O-N 2.92Å; H528-R530 VanDerWaalsContact C-N 3.26Å; H528-R530 PolarHBondContact O-N 3.42Å; R530-H532 VanDerWaalsContact C-N 3.35Å; R530-G534 WeakPolarHBondContact O-CA 3.2Å; R530-G534 PolarHBondContact O-N 2.69Å; R530-E535 HydrophobicContact CB-CB 4.27Å; R530-E535 HydrophobicContact CG-CB 4Å; R530-E535 PolarHBondContact O-N 2.74Å; R530-A548 PolarHBondContact NH1-O 3.42Å
531	I	64.6	Low	69.7	Low	124 Å²	124	77.1 Å²	77.1	64%	0.636	39%	0.389	S	S	*	.	H	α-helix	trans	-73.9	-30.9	171.6	-51.5	-179.2	0	0	0	110.4	H528 Q529	H528-I531 VanDerWaalsContact O-CB 3.25Å; H528-I531 WeakPolarHBondContact O-CB 3.45Å; H528-I531 WeakPolarHBondContact O-CG1 3.35Å; H528-I531 PolarHBondContact O-N 3.23Å; Q529-I531 PolarHBondContact O-N 3.31Å; Q529-I531 VanDerWaalsContact O-N 3.15Å
532	H	65.9	Low	69.8	Low	64 Å²	64	78.9 Å²	78.9	30%	0.296	40%	0.396	S	S	.	.	H	α-helix	trans	-93	-14.2	-179.5	-58.6	-73.8	0	0	0	115	K514 C515 H528 Q529 R530	K514-H532 HydrophobicContact CD-CB 3.62Å; K514-H532 PolarHBondContact NZ-O 3.06Å; C515-H532 PolarHBondContact SG-NE2 3.5Å; C515-H532 VanDerWaalsContact SG-NE2 3.36Å; H528-H532 AromaticContact CD2-NE2 3.67Å; H528-H532 AromaticContact CE1-NE2 3.46Å; H528-H532 PolarHBondContact CE1-NE2 2.83Å; H528-H532 AromaticContact NE2-CD2 3.82Å; H528-H532 AromaticContact NE2-CE1 3.94Å; H528-H532 AromaticContact NE2-NE2 2.97Å; H528-H532 PolarHBondContact NE2-NE2 2.84Å; H528-H532 PolarHBondContact O-CD2 3.48Å; Q529-H532 WeakPolarHBondContact O-CA 3.46Å; Q529-H532 WeakPolarHBondContact O-CB 3.3Å; Q529-H532 PolarHBondContact O-N 2.83Å; R530-H532 VanDerWaalsContact C-N 3.35Å
533	S	67.8	Low	69.6	Low	58 Å²	58	74.8 Å²	74.8	41%	0.406	38%	0.383	S	S	.	.	H	α-helix	trans	-105.2	-10.4	170.8	57.8	0	0	0	0	113.2	Q529 E535	Q529-S533 PolarHBondContact O-N 3.31Å; Q529-S533 PolarHBondContact O-OG 2.93Å; S533-E535 WeakPolarHBondContact CB-OE1 3.36Å; S533-E535 PolarHBondContact O-N 2.93Å; S533-E535 WeakPolarHBondContact OG-CG 3.31Å; S533-E535 PolarHBondContact OG-OE1 3.45Å
534	G	64.3	Low	69.7	Low	47 Å²	47	68.3 Å²	68.3	49%	0.485	37%	0.367	S	S	.	.			trans	72	-0.9	-176.6	0	0	0	0	0	114.6	R530 K536	R530-G534 WeakPolarHBondContact O-CA 3.2Å; R530-G534 PolarHBondContact O-N 2.69Å; G534-K536 PolarHBondContact O-N 3.27Å
535	E	66.9	Low	69.4	Low	100 Å²	100	70.1 Å²	70.1	47%	0.467	37%	0.369	S	S	.	.			trans	-53.4	125.4	-177.5	-80.6	166.3	-117.1	0	0	113	R530 S533	R530-E535 HydrophobicContact CB-CB 4.27Å; R530-E535 HydrophobicContact CG-CB 4Å; R530-E535 PolarHBondContact O-N 2.74Å; S533-E535 WeakPolarHBondContact CB-OE1 3.36Å; S533-E535 PolarHBondContact O-N 2.93Å; S533-E535 WeakPolarHBondContact OG-CG 3.31Å; S533-E535 PolarHBondContact OG-OE1 3.45Å
536	K	72.3	Confident	69.1	Low	117 Å²	117	72.5 Å²	72.5	51%	0.509	38%	0.384	S	S	.	.			trans	-130.7	74.8	175.5	-69	162.6	-172.1	168	0	109.7	G534 Y538 T546 F547	G534-K536 PolarHBondContact O-N 3.27Å; K536-Y538 PolarHBondContact O-N 2.82Å; K536-Y538 VanDerWaalsContact O-N 3.1Å; K536-T546 WeakPolarHBondContact CB-OG1 3.46Å; K536-T546 WeakPolarHBondContact CD-OG1 3.49Å; K536-T546 WeakPolarHBondContact O-CB 3.36Å; K536-F547 CarbonylContact C-O 3.59Å; K536-F547 VanDerWaalsContact CA-O 3.29Å; K536-F547 WeakPolarHBondContact CA-O 3.48Å
537	P	73.1	Confident	69.3	Low	73 Å²	73	71.2 Å²	71.2	47%	0.474	38%	0.376	S	S	.	.			trans	-66.4	-15.7	-168.6	-22.6	35.2	0	0	0	114.9
538	Y	75.8	Confident	69.4	Low	71 Å²	71	69.9 Å²	69.9	28%	0.278	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	95.2	-173.5	-51.2	-73.6	0	0	0	109.7	K536 T546 F547 T550	K536-Y538 PolarHBondContact O-N 2.82Å; K536-Y538 VanDerWaalsContact O-N 3.1Å; Y538-T546 CarbonylContact O-C 3.17Å; Y538-T546 WeakPolarHBondContact O-CA 3.3Å; Y538-F547 WeakPolarHBondContact CD2-O 3.48Å; Y538-F547 PolarHBondContact N-O 3.2Å; Y538-F547 VanDerWaalsContact N-O 3.14Å; Y538-F547 PolarHBondContact O-N 2.95Å; Y538-T550 HydrophobicContact CD1-CG2 4.18Å; Y538-T550 WeakPolarHBondContact CD1-OG1 3.25Å; Y538-T550 HydrophobicContact CE1-CG2 4.45Å; Y538-T550 WeakPolarHBondContact CE1-OG1 3.49Å; Y538-T550 VanDerWaalsContact CZ-OG1 3.23Å
539	K	65.4	Low	69.4	Low	117 Å²	117	71 Å²	71	51%	0.509	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	147.1	174.6	-171	-175.5	174.9	-165.9	0	110.5	K545 T546 L553	K539-K545 CarbonylContact C-O 3.53Å; K539-T546 HydrophobicContact CB-CG2 4.2Å; K539-T546 HydrophobicContact CG-CG2 4.21Å; K539-L553 WeakPolarHBondContact O-CD1 3.3Å; K539-L553 VanDerWaalsContact O-CD2 3.23Å; K539-L553 WeakPolarHBondContact O-CD2 3.37Å
540	C	74.6	Confident	69.2	Low	0 Å²	0	70.1 Å²	70.1	0%	0	38%	0.379	C	S	.	.			trans	-100.6	116.5	166.7	175.8	0	0	0	0	108.8	C543 G544 K545 F547 L553 H560	C540-C543 PolarHBondContact O-N 3.18Å; C540-C543 PolarHBondContact SG-SG 2.95Å; C540-G544 VanDerWaalsContact O-CA 3.29Å; C540-G544 WeakPolarHBondContact O-CA 3.16Å; C540-G544 PolarHBondContact O-N 2.92Å; C540-K545 WeakPolarHBondContact CB-O 3.48Å; C540-K545 PolarHBondContact N-O 3.13Å; C540-F547 HydrophobicContact CB-CE2 4.17Å; C540-L553 HydrophobicContact CB-CD1 3.46Å; C540-L553 VanDerWaalsContact CB-CD1 3.46Å; C540-H560 PolarHBondContact SG-NE2 3.03Å
541	D	72.7	Confident	68.7	Low	122 Å²	122	71.2 Å²	71.2	65%	0.652	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-34	-169.1	-51.8	-66.7	0	0	0	112.4	C543	D541-C543 PolarHBondContact O-N 3.11Å; D541-C543 VanDerWaalsContact O-N 3.14Å
542	E	67.1	Low	68.9	Low	107 Å²	107	70.8 Å²	70.8	50%	0.5	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.3	176.7	-61.1	160.6	111	0	0	114.2	H560	E542-H560 VanDerWaalsContact OE1-CB 3.25Å; E542-H560 WeakPolarHBondContact OE1-CB 3.45Å; E542-H560 IonicContact OE2-CD2 3.55Å; E542-H560 PolarHBondContact OE2-CD2 2.94Å; E542-H560 IonicContact OE2-CG 3.87Å
543	C	65.5	Low	69.1	Low	46 Å²	46	68.5 Å²	68.5	31%	0.311	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.9	13.9	-172.9	71.4	0	0	0	0	116.1	C540 D541 K545 H556 H560	C540-C543 PolarHBondContact O-N 3.18Å; C540-C543 PolarHBondContact SG-SG 2.95Å; D541-C543 PolarHBondContact O-N 3.11Å; D541-C543 VanDerWaalsContact O-N 3.14Å; C543-K545 PolarHBondContact O-N 3.05Å; C543-K545 PolarHBondContact SG-NZ 3.1Å; C543-H556 PolarHBondContact SG-NE2 3.31Å; C543-H560 VanDerWaalsContact SG-CE1 3.59Å; C543-H560 PolarHBondContact SG-NE2 3.01Å
544	G	69.3	Low	69.1	Low	41 Å²	41	69.2 Å²	69.2	42%	0.423	37%	0.371	S	S	.	.			trans	67.6	-11.2	177.3	0	0	0	0	0	117.6	C540	C540-G544 VanDerWaalsContact O-CA 3.29Å; C540-G544 WeakPolarHBondContact O-CA 3.16Å; C540-G544 PolarHBondContact O-N 2.92Å
545	K	64.1	Low	69.1	Low	85 Å²	85	68.4 Å²	68.4	37%	0.37	36%	0.356	S	S	.	.			trans	-66.9	135.6	-173	-63.9	-173	-148.1	69	0	112	K539 C540 C543 F547 H556	K539-K545 CarbonylContact C-O 3.53Å; C540-K545 WeakPolarHBondContact CB-O 3.48Å; C540-K545 PolarHBondContact N-O 3.13Å; C543-K545 PolarHBondContact O-N 3.05Å; C543-K545 PolarHBondContact SG-NZ 3.1Å; K545-F547 HydrophobicContact CB-CE2 3.76Å; K545-F547 HydrophobicContact CB-CZ 3.98Å; K545-F547 WeakPolarHBondContact O-CE2 3.38Å; K545-H556 PolarHBondContact NZ-NE2 3.37Å
546	T	67.6	Low	69.1	Low	67 Å²	67	64.7 Å²	64.7	41%	0.411	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	143.4	-178.7	56.4	0	0	0	0	112.5	K536 Y538 K539	K536-T546 WeakPolarHBondContact CB-OG1 3.46Å; K536-T546 WeakPolarHBondContact CD-OG1 3.49Å; K536-T546 WeakPolarHBondContact O-CB 3.36Å; Y538-T546 CarbonylContact O-C 3.17Å; Y538-T546 WeakPolarHBondContact O-CA 3.3Å; K539-T546 HydrophobicContact CB-CG2 4.2Å; K539-T546 HydrophobicContact CG-CG2 4.21Å
547	F	76.1	Confident	68.8	Low	43 Å²	43	61.8 Å²	61.8	19%	0.189	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	147.9	-175.6	-61	-89.7	0	0	0	112	K536 Y538 C540 K545 Q549 L553 H556	K536-F547 CarbonylContact C-O 3.59Å; K536-F547 VanDerWaalsContact CA-O 3.29Å; K536-F547 WeakPolarHBondContact CA-O 3.48Å; Y538-F547 WeakPolarHBondContact CD2-O 3.48Å; Y538-F547 PolarHBondContact N-O 3.2Å; Y538-F547 VanDerWaalsContact N-O 3.14Å; Y538-F547 PolarHBondContact O-N 2.95Å; C540-F547 HydrophobicContact CB-CE2 4.17Å; K545-F547 HydrophobicContact CB-CE2 3.76Å; K545-F547 HydrophobicContact CB-CZ 3.98Å; K545-F547 WeakPolarHBondContact O-CE2 3.38Å; F547-Q549 VanDerWaalsContact C-N 3.33Å; F547-L553 HydrophobicContact CB-CB 4.43Å; F547-L553 HydrophobicContact CD2-CB 4.18Å; F547-L553 HydrophobicContact CD2-CD1 4.11Å; F547-L553 HydrophobicContact CE2-CD1 4.38Å; F547-L553 HydrophobicContact CG-CB 4.46Å; F547-H556 HydrophobicContact CE1-CB 4.16Å; F547-H556 HydrophobicContact CE2-CB 3.97Å; F547-H556 AromaticContact CE2-CD2 3.45Å; F547-H556 VanDerWaalsContact CE2-CD2 3.45Å; F547-H556 WeakPolarHBondContact CE2-CD2 3.38Å; F547-H556 AromaticContact CE2-CG 3.93Å; F547-H556 HydrophobicContact CZ-CB 3.61Å; F547-H556 AromaticContact CZ-CD2 3.29Å; F547-H556 WeakPolarHBondContact CZ-CD2 3.46Å; F547-H556 AromaticContact CZ-CG 3.47Å; F547-H556 VanDerWaalsContact CZ-CG 3.47Å
548	A	69.4	Low	68.6	Low	29 Å²	29	62.6 Å²	62.6	24%	0.24	32%	0.32	C	S	.	.	S	Bend	trans	-80.7	-10	178	0	0	0	0	0	114.1	R530	R530-A548 PolarHBondContact NH1-O 3.42Å
549	Q	68.6	Low	67.7	Low	46 Å²	46	64.4 Å²	64.4	22%	0.215	33%	0.334	C	S	.	.	S	Bend	trans	-140.6	143.2	175.8	-58.7	-177.7	28.8	0	0	111.5	L527 F547 T551 Y552 L553	L527-Q549 HydrophobicContact CD1-CG 3.63Å; L527-Q549 VanDerWaalsContact CD1-NE2 3.32Å; F547-Q549 VanDerWaalsContact C-N 3.33Å; Q549-T551 VanDerWaalsContact C-N 3.27Å; Q549-T551 VanDerWaalsContact CB-OG1 3.3Å; Q549-T551 WeakPolarHBondContact CB-OG1 3.35Å; Q549-T551 PolarHBondContact O-N 3.18Å; Q549-T551 PolarHBondContact OE1-OG1 3.34Å; Q549-Y552 HydrophobicContact CB-CD2 3.82Å; Q549-Y552 HydrophobicContact CB-CE2 4.27Å; Q549-Y552 HydrophobicContact CB-CG 4.33Å; Q549-Y552 HydrophobicContact CG-CD2 4.02Å; Q549-Y552 HydrophobicContact CG-CE2 3.99Å; Q549-Y552 PolarHBondContact O-N 3.14Å; Q549-L553 PolarHBondContact O-N 2.96Å
550	T	66.2	Low	67.5	Low	62 Å²	62	62.3 Å²	62.3	38%	0.38	33%	0.326	S	S	.	.	H	α-helix	trans	-62	-32.5	174.3	-31.6	0	0	0	0	112.6	Y538 Y552 L553 I554	Y538-T550 HydrophobicContact CD1-CG2 4.18Å; Y538-T550 WeakPolarHBondContact CD1-OG1 3.25Å; Y538-T550 HydrophobicContact CE1-CG2 4.45Å; Y538-T550 WeakPolarHBondContact CE1-OG1 3.49Å; Y538-T550 VanDerWaalsContact CZ-OG1 3.23Å; T550-Y552 VanDerWaalsContact C-N 3.31Å; T550-Y552 PolarHBondContact O-N 3.36Å; T550-L553 WeakPolarHBondContact O-CB 3.23Å; T550-L553 PolarHBondContact O-N 3.14Å; T550-I554 HydrophobicContact CG2-CD1 4.14Å; T550-I554 VanDerWaalsContact O-CG1 3.31Å; T550-I554 WeakPolarHBondContact O-CG1 3.16Å; T550-I554 PolarHBondContact O-N 3.44Å
551	T	64.9	Low	66.7	Low	76 Å²	76	64.9 Å²	64.9	47%	0.466	34%	0.344	S	S	.	.	H	α-helix	trans	-59.3	-39.5	174.2	46.6	0	0	0	0	112.6	Q549 D555	Q549-T551 VanDerWaalsContact C-N 3.27Å; Q549-T551 VanDerWaalsContact CB-OG1 3.3Å; Q549-T551 WeakPolarHBondContact CB-OG1 3.35Å; Q549-T551 PolarHBondContact O-N 3.18Å; Q549-T551 PolarHBondContact OE1-OG1 3.34Å; T551-D555 WeakPolarHBondContact O-CB 3.45Å; T551-D555 PolarHBondContact O-N 3.46Å
552	Y	68.9	Low	65.8	Low	116 Å²	116	63.9 Å²	63.9	46%	0.455	35%	0.353	S	S	.	.	H	α-helix	trans	-78.2	-27.7	176.5	-60	-35	0	0	0	112.9	Q549 T550 H556	Q549-Y552 HydrophobicContact CB-CD2 3.82Å; Q549-Y552 HydrophobicContact CB-CE2 4.27Å; Q549-Y552 HydrophobicContact CB-CG 4.33Å; Q549-Y552 HydrophobicContact CG-CD2 4.02Å; Q549-Y552 HydrophobicContact CG-CE2 3.99Å; Q549-Y552 PolarHBondContact O-N 3.14Å; T550-Y552 VanDerWaalsContact C-N 3.31Å; T550-Y552 PolarHBondContact O-N 3.36Å; Y552-H556 WeakPolarHBondContact O-CB 3.12Å; Y552-H556 PolarHBondContact O-N 3.08Å
553	L	71.1	Confident	65.2	Low	16 Å²	16	66.2 Å²	66.2	8%	0.084	36%	0.363	C	S	.	.	H	α-helix	trans	-65.5	-49.3	168.4	171.5	59.8	0	0	0	110.9	K539 C540 F547 Q549 T550 D555 H556 Q557	K539-L553 WeakPolarHBondContact O-CD1 3.3Å; K539-L553 VanDerWaalsContact O-CD2 3.23Å; K539-L553 WeakPolarHBondContact O-CD2 3.37Å; C540-L553 HydrophobicContact CB-CD1 3.46Å; C540-L553 VanDerWaalsContact CB-CD1 3.46Å; F547-L553 HydrophobicContact CB-CB 4.43Å; F547-L553 HydrophobicContact CD2-CB 4.18Å; F547-L553 HydrophobicContact CD2-CD1 4.11Å; F547-L553 HydrophobicContact CE2-CD1 4.38Å; F547-L553 HydrophobicContact CG-CB 4.46Å; Q549-L553 PolarHBondContact O-N 2.96Å; T550-L553 WeakPolarHBondContact O-CB 3.23Å; T550-L553 PolarHBondContact O-N 3.14Å; L553-D555 PolarHBondContact O-N 2.93Å; L553-H556 CarbonylContact O-C 3.58Å; L553-H556 VanDerWaalsContact O-CA 3.32Å; L553-H556 WeakPolarHBondContact O-CA 3.44Å; L553-H556 WeakPolarHBondContact O-CB 3.35Å; L553-H556 PolarHBondContact O-N 3.26Å; L553-Q557 HydrophobicContact CD1-CG 4.04Å; L553-Q557 HydrophobicContact CG-CG 4.49Å; L553-Q557 WeakPolarHBondContact O-CG 3.19Å; L553-Q557 PolarHBondContact O-N 2.92Å
554	I	68.3	Low	64.7	Low	73 Å²	73	67 Å²	67	37%	0.374	37%	0.365	S	S	.	.	H	α-helix	trans	-63.2	-41.8	179	-67.1	161.6	0	0	0	111.2	T550 H556 Q557 R558	T550-I554 HydrophobicContact CG2-CD1 4.14Å; T550-I554 VanDerWaalsContact O-CG1 3.31Å; T550-I554 WeakPolarHBondContact O-CG1 3.16Å; T550-I554 PolarHBondContact O-N 3.44Å; I554-H556 PolarHBondContact O-N 3.41Å; I554-Q557 PolarHBondContact O-N 3.46Å; I554-R558 WeakPolarHBondContact O-CG 3.29Å; I554-R558 PolarHBondContact O-N 2.86Å
555	D	63.4	Low	64.3	Low	30 Å²	30	68.5 Å²	68.5	16%	0.16	37%	0.367	C	S	.	.	H	α-helix	trans	-65.5	-19.2	170.7	-84.2	-13.2	0	0	0	113.4	T551 L553 R558 R577	T551-D555 WeakPolarHBondContact O-CB 3.45Å; T551-D555 PolarHBondContact O-N 3.46Å; L553-D555 PolarHBondContact O-N 2.93Å; D555-R558 IonicContact OD1-NH1 3.75Å; D555-R558 PolarHBondContact OD1-NH1 2.92Å; D555-R577 IonicContact OD2-CZ 3.95Å; D555-R577 IonicContact OD2-NE 2.86Å; D555-R577 PolarHBondContact OD2-NE 3.04Å; D555-R577 IonicContact OD2-NH2 2.62Å; D555-R577 PolarHBondContact OD2-NH2 3.28Å
556	H	67.2	Low	64.2	Low	21 Å²	21	68.6 Å²	68.6	10%	0.097	37%	0.365	C	S	.	.	H	α-helix	trans	-86.8	-37.3	173.2	-172.6	35.1	0	0	0	112.9	C543 K545 F547 Y552 L553 I554 R558 L559 H560	C543-H556 PolarHBondContact SG-NE2 3.31Å; K545-H556 PolarHBondContact NZ-NE2 3.37Å; F547-H556 HydrophobicContact CE1-CB 4.16Å; F547-H556 HydrophobicContact CE2-CB 3.97Å; F547-H556 AromaticContact CE2-CD2 3.45Å; F547-H556 VanDerWaalsContact CE2-CD2 3.45Å; F547-H556 WeakPolarHBondContact CE2-CD2 3.38Å; F547-H556 AromaticContact CE2-CG 3.93Å; F547-H556 HydrophobicContact CZ-CB 3.61Å; F547-H556 AromaticContact CZ-CD2 3.29Å; F547-H556 WeakPolarHBondContact CZ-CD2 3.46Å; F547-H556 AromaticContact CZ-CG 3.47Å; F547-H556 VanDerWaalsContact CZ-CG 3.47Å; Y552-H556 WeakPolarHBondContact O-CB 3.12Å; Y552-H556 PolarHBondContact O-N 3.08Å; L553-H556 CarbonylContact O-C 3.58Å; L553-H556 VanDerWaalsContact O-CA 3.32Å; L553-H556 WeakPolarHBondContact O-CA 3.44Å; L553-H556 WeakPolarHBondContact O-CB 3.35Å; L553-H556 PolarHBondContact O-N 3.26Å; I554-H556 PolarHBondContact O-N 3.41Å; H556-R558 PolarHBondContact O-N 3.47Å; H556-L559 VanDerWaalsContact O-CB 3.28Å; H556-L559 WeakPolarHBondContact O-CB 3.49Å; H556-L559 PolarHBondContact O-N 3.14Å; H556-H560 AromaticContact CD2-NE2 3.67Å; H556-H560 AromaticContact CE1-CE1 3.59Å; H556-H560 AromaticContact CE1-NE2 3.4Å; H556-H560 PolarHBondContact CE1-NE2 2.89Å; H556-H560 AromaticContact NE2-CE1 3.62Å; H556-H560 AromaticContact NE2-NE2 3.17Å; H556-H560 PolarHBondContact NE2-NE2 3.11Å; H556-H560 VanDerWaalsContact NE2-NE2 3.17Å
557	Q	66.4	Low	63.8	Low	57 Å²	57	72.2 Å²	72.2	27%	0.266	38%	0.376	S	S	.	.	H	α-helix	trans	-61.7	-36.1	176.5	-72.1	165.6	-55	0	0	111	L553 I554 L559 H560 S561	L553-Q557 HydrophobicContact CD1-CG 4.04Å; L553-Q557 HydrophobicContact CG-CG 4.49Å; L553-Q557 WeakPolarHBondContact O-CG 3.19Å; L553-Q557 PolarHBondContact O-N 2.92Å; I554-Q557 PolarHBondContact O-N 3.46Å; Q557-L559 PolarHBondContact O-N 3.19Å; Q557-H560 PolarHBondContact O-N 2.74Å; Q557-S561 PolarHBondContact O-N 3.34Å; Q557-S561 PolarHBondContact O-OG 2.96Å
558	R	68.4	Low	63.3	Low	89 Å²	89	70.2 Å²	70.2	34%	0.336	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	8.5	167.3	-65.3	173.9	-176.3	142.3	2.9	116.1	I554 D555 H556 I576	I554-R558 WeakPolarHBondContact O-CG 3.29Å; I554-R558 PolarHBondContact O-N 2.86Å; D555-R558 IonicContact OD1-NH1 3.75Å; D555-R558 PolarHBondContact OD1-NH1 2.92Å; H556-R558 PolarHBondContact O-N 3.47Å; R558-I576 HydrophobicContact CB-CG2 3.69Å; R558-I576 HydrophobicContact CG-CG2 4.47Å
559	L	57.2	Low	63	Low	110 Å²	110	78.4 Å²	78.4	58%	0.576	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	-15.3	166.5	-74	160.2	0	0	0	112.7	H556 Q557 I576	H556-L559 VanDerWaalsContact O-CB 3.28Å; H556-L559 WeakPolarHBondContact O-CB 3.49Å; H556-L559 PolarHBondContact O-N 3.14Å; Q557-L559 PolarHBondContact O-N 3.19Å; L559-I576 HydrophobicContact CD2-CD1 3.55Å; L559-I576 HydrophobicContact CD2-CG1 4.3Å; L559-I576 HydrophobicContact CG-CD1 4.07Å; L559-I576 HydrophobicContact CG-CG1 4.49Å
560	H	60.5	Low	62.4	Low	72 Å²	72	80.9 Å²	80.9	33%	0.333	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-47.7	176.2	-51.4	-58.3	0	0	0	109.8	C540 E542 C543 H556 Q557 A562	C540-H560 PolarHBondContact SG-NE2 3.03Å; E542-H560 VanDerWaalsContact OE1-CB 3.25Å; E542-H560 WeakPolarHBondContact OE1-CB 3.45Å; E542-H560 IonicContact OE2-CD2 3.55Å; E542-H560 PolarHBondContact OE2-CD2 2.94Å; E542-H560 IonicContact OE2-CG 3.87Å; C543-H560 VanDerWaalsContact SG-CE1 3.59Å; C543-H560 PolarHBondContact SG-NE2 3.01Å; H556-H560 AromaticContact CD2-NE2 3.67Å; H556-H560 AromaticContact CE1-CE1 3.59Å; H556-H560 AromaticContact CE1-NE2 3.4Å; H556-H560 PolarHBondContact CE1-NE2 2.89Å; H556-H560 AromaticContact NE2-CE1 3.62Å; H556-H560 AromaticContact NE2-NE2 3.17Å; H556-H560 PolarHBondContact NE2-NE2 3.11Å; H556-H560 VanDerWaalsContact NE2-NE2 3.17Å; Q557-H560 PolarHBondContact O-N 2.74Å; H560-A562 PolarHBondContact O-N 2.97Å
561	S	58.2	Low	62	Low	54 Å²	54	80.3 Å²	80.3	38%	0.378	41%	0.407	S	S	.	.	S	Bend	trans	-64	124.5	164.4	-38	0	0	0	0	109.3	Q557 E563	Q557-S561 PolarHBondContact O-N 3.34Å; Q557-S561 PolarHBondContact O-OG 2.96Å; S561-E563 PolarHBondContact O-N 2.98Å; S561-E563 VanDerWaalsContact O-N 3.11Å
562	A	53.1	Low	61.7	Low	102 Å²	102	78.4 Å²	78.4	84%	0.843	40%	0.402	S	S	*	.	S	Bend	trans	-69.4	-3.8	177.9	0	0	0	0	0	113.7	H560 N564	H560-A562 PolarHBondContact O-N 2.97Å; A562-N564 WeakPolarHBondContact O-CB 3.39Å; A562-N564 PolarHBondContact O-N 3.5Å
563	E	55.4	Low	60.9	Low	155 Å²	155	78.9 Å²	78.9	72%	0.724	41%	0.406	S	S	*	.			trans	-62.7	93.2	169.7	-68	-158.3	152.6	0	0	111.7	S561 P565	S561-E563 PolarHBondContact O-N 2.98Å; S561-E563 VanDerWaalsContact O-N 3.11Å; E563-P565 VanDerWaalsContact O-CD 3.31Å; E563-P565 WeakPolarHBondContact O-CD 3.22Å
564	N	55	Low	60.2	Low	64 Å²	64	81 Å²	81	34%	0.342	42%	0.42	S	S	.	.			trans	-112.3	89.4	-171.8	-157.3	-17.6	0	0	0	106.8	A562 Y566 V574 F575 I576	A562-N564 WeakPolarHBondContact O-CB 3.39Å; A562-N564 PolarHBondContact O-N 3.5Å; N564-Y566 VanDerWaalsContact C-N 3.33Å; N564-Y566 PolarHBondContact O-N 3.24Å; N564-V574 HydrophobicContact CB-CB 4.19Å; N564-V574 HydrophobicContact CB-CG1 3.52Å; N564-V574 VanDerWaalsContact CG-CG1 3.42Å; N564-V574 WeakPolarHBondContact O-CG1 3.4Å; N564-F575 PolarHBondContact OD1-N 3.35Å; N564-F575 PolarHBondContact OD1-O 2.93Å; N564-I576 PolarHBondContact OD1-N 3.29Å
565	P	60.7	Low	60.1	Low	72 Å²	72	79.9 Å²	79.9	47%	0.468	41%	0.412	S	S	.	.			trans	-80.8	-9.3	-147.4	-18.6	34.2	0	0	0	115.4	E563	E563-P565 VanDerWaalsContact O-CD 3.31Å; E563-P565 WeakPolarHBondContact O-CD 3.22Å
566	Y	62.4	Low	59.8	Low	86 Å²	86	80.5 Å²	80.5	34%	0.337	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	78.5	-172.6	-53.4	-79.9	0	0	0	110.3	N564 F575 R577 S578	N564-Y566 VanDerWaalsContact C-N 3.33Å; N564-Y566 PolarHBondContact O-N 3.24Å; Y566-F575 VanDerWaalsContact CB-O 3.31Å; Y566-F575 WeakPolarHBondContact CB-O 3.5Å; Y566-F575 WeakPolarHBondContact CD2-O 3.22Å; Y566-F575 PolarHBondContact N-O 3.19Å; Y566-F575 PolarHBondContact O-N 2.83Å; Y566-R577 VanDerWaalsContact CD2-C 3.42Å; Y566-S578 VanDerWaalsContact CD2-N 3.26Å
567	K	58.9	Low	59.5	Low	144 Å²	144	85 Å²	85	63%	0.626	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.4	132.3	174.7	-173.8	174.3	-179.1	-178.3	0	111.2	V574	K567-V574 HydrophobicContact CB-CG1 4.15Å; K567-V574 HydrophobicContact CG-CG2 4.35Å
568	C	64.1	Low	59.2	Low	0 Å²	0	84.7 Å²	84.7	0%	0	44%	0.435	C	S	.	.			trans	-74	124.5	170.6	-164.9	0	0	0	0	110	E570 G572 K573 L581 H584 H588	C568-E570 PolarHBondContact SG-OE2 3Å; C568-E570 VanDerWaalsContact SG-OE2 3.38Å; C568-G572 VanDerWaalsContact O-CA 3.31Å; C568-G572 WeakPolarHBondContact O-CA 3.42Å; C568-G572 PolarHBondContact O-N 3.32Å; C568-K573 WeakPolarHBondContact CB-O 3.42Å; C568-K573 PolarHBondContact N-O 3.44Å; C568-L581 HydrophobicContact CB-CD1 3.68Å; C568-H584 VanDerWaalsContact SG-CD2 3.58Å; C568-H588 PolarHBondContact SG-CD2 3.08Å; C568-H588 PolarHBondContact SG-NE2 3.46Å
569	K	64.3	Low	58.7	Low	202 Å²	202	89.1 Å²	89.1	88%	0.878	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-42.2	178	-67.2	-168.7	176	-170.5	0	111.7
570	E	56.9	Low	59.1	Low	98 Å²	98	86 Å²	86	46%	0.458	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-30.2	-172.8	-56.8	115.1	123	0	0	115.2	C568 H588	C568-E570 PolarHBondContact SG-OE2 3Å; C568-E570 VanDerWaalsContact SG-OE2 3.38Å; E570-H588 HydrophobicContact CB-CB 4.32Å; E570-H588 HydrophobicContact CG-CB 4.33Å; E570-H588 WeakPolarHBondContact OE1-CB 3.5Å; E570-H588 IonicContact OE1-CD2 2.75Å; E570-H588 IonicContact OE2-CD2 2.8Å
571	C	57.8	Low	59.3	Low	50 Å²	50	83.5 Å²	83.5	34%	0.338	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.3	17.7	-175.9	90.1	0	0	0	0	115	K573 H584 H588	C571-K573 PolarHBondContact O-N 3.34Å; C571-H584 PolarHBondContact SG-NE2 3.27Å; C571-H588 PolarHBondContact SG-CE1 3.45Å; C571-H588 PolarHBondContact SG-NE2 3.34Å; C571-H588 VanDerWaalsContact SG-NE2 3.36Å
572	G	56.9	Low	59.6	Low	35 Å²	35	84.9 Å²	84.9	36%	0.361	44%	0.437	S	S	.	.			trans	67.4	-13.8	174.3	0	0	0	0	0	117.2	C568 V574	C568-G572 VanDerWaalsContact O-CA 3.31Å; C568-G572 WeakPolarHBondContact O-CA 3.42Å; C568-G572 PolarHBondContact O-N 3.32Å; G572-V574 VanDerWaalsContact O-CG2 3.29Å; G572-V574 WeakPolarHBondContact O-CG2 3.43Å
573	K	52.9	Low	59.8	Low	126 Å²	126	82.9 Å²	82.9	55%	0.548	41%	0.411	S	S	.	.			trans	-61.8	137.7	-176.9	-73.8	174.4	-173.6	149.9	0	111.5	C568 C571 F575	C568-K573 WeakPolarHBondContact CB-O 3.42Å; C568-K573 PolarHBondContact N-O 3.44Å; C571-K573 PolarHBondContact O-N 3.34Å; K573-F575 HydrophobicContact CB-CE2 3.89Å; K573-F575 HydrophobicContact CB-CZ 4.19Å; K573-F575 WeakPolarHBondContact O-CE2 3.29Å
574	V	56	Low	60	Low	62 Å²	62	76.7 Å²	76.7	38%	0.376	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	142.2	-168.9	-151.9	0	0	0	0	111.4	N564 K567 G572	N564-V574 HydrophobicContact CB-CB 4.19Å; N564-V574 HydrophobicContact CB-CG1 3.52Å; N564-V574 VanDerWaalsContact CG-CG1 3.42Å; N564-V574 WeakPolarHBondContact O-CG1 3.4Å; K567-V574 HydrophobicContact CB-CG1 4.15Å; K567-V574 HydrophobicContact CG-CG2 4.35Å; G572-V574 VanDerWaalsContact O-CG2 3.29Å; G572-V574 WeakPolarHBondContact O-CG2 3.43Å
575	F	67.3	Low	60.3	Low	48 Å²	48	76.1 Å²	76.1	21%	0.211	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	141.7	-172.9	-60.6	-93.8	0	0	0	111.8	N564 Y566 K573 R577 L581 H584	N564-F575 PolarHBondContact OD1-N 3.35Å; N564-F575 PolarHBondContact OD1-O 2.93Å; Y566-F575 VanDerWaalsContact CB-O 3.31Å; Y566-F575 WeakPolarHBondContact CB-O 3.5Å; Y566-F575 WeakPolarHBondContact CD2-O 3.22Å; Y566-F575 PolarHBondContact N-O 3.19Å; Y566-F575 PolarHBondContact O-N 2.83Å; K573-F575 HydrophobicContact CB-CE2 3.89Å; K573-F575 HydrophobicContact CB-CZ 4.19Å; K573-F575 WeakPolarHBondContact O-CE2 3.29Å; F575-R577 PolarHBondContact O-N 3.19Å; F575-L581 HydrophobicContact CB-CB 4.27Å; F575-L581 HydrophobicContact CD2-CB 4.12Å; F575-L581 HydrophobicContact CD2-CD1 3.93Å; F575-L581 HydrophobicContact CE2-CD1 4.23Å; F575-L581 HydrophobicContact CG-CB 4.33Å; F575-H584 HydrophobicContact CE1-CB 4.07Å; F575-H584 HydrophobicContact CE2-CB 3.96Å; F575-H584 AromaticContact CE2-CD2 3.22Å; F575-H584 WeakPolarHBondContact CE2-CD2 3.27Å; F575-H584 AromaticContact CE2-CG 3.72Å; F575-H584 HydrophobicContact CZ-CB 3.56Å; F575-H584 AromaticContact CZ-CD2 3.29Å; F575-H584 WeakPolarHBondContact CZ-CD2 3.48Å; F575-H584 AromaticContact CZ-CG 3.34Å; F575-H584 AromaticContact CZ-NE2 3.98Å
576	I	56.8	Low	60.6	Low	44 Å²	44	78.7 Å²	78.7	23%	0.226	38%	0.378	C	S	.	.	S	Bend	trans	-69.5	-19.7	176.8	-59.4	121.6	0	0	0	112.8	R558 L559 N564	R558-I576 HydrophobicContact CB-CG2 3.69Å; R558-I576 HydrophobicContact CG-CG2 4.47Å; L559-I576 HydrophobicContact CD2-CD1 3.55Å; L559-I576 HydrophobicContact CD2-CG1 4.3Å; L559-I576 HydrophobicContact CG-CD1 4.07Å; L559-I576 HydrophobicContact CG-CG1 4.49Å; N564-I576 PolarHBondContact OD1-N 3.29Å
577	R	61.1	Low	60.3	Low	114 Å²	114	79.1 Å²	79.1	43%	0.43	39%	0.389	S	S	.	.	S	Bend	trans	-134.2	132.8	-174.5	-61.9	176.9	178.4	146.6	1.9	112.3	D555 Y566 F575 K579 S580 L581	D555-R577 IonicContact OD2-CZ 3.95Å; D555-R577 IonicContact OD2-NE 2.86Å; D555-R577 PolarHBondContact OD2-NE 3.04Å; D555-R577 IonicContact OD2-NH2 2.62Å; D555-R577 PolarHBondContact OD2-NH2 3.28Å; Y566-R577 VanDerWaalsContact CD2-C 3.42Å; F575-R577 PolarHBondContact O-N 3.19Å; R577-K579 VanDerWaalsContact C-N 3.3Å; R577-K579 PolarHBondContact O-N 3.42Å; R577-S580 WeakPolarHBondContact O-CA 3.5Å; R577-S580 WeakPolarHBondContact O-CB 3.39Å; R577-S580 PolarHBondContact O-N 2.88Å; R577-L581 PolarHBondContact O-N 3.03Å; R577-L581 VanDerWaalsContact O-N 3.1Å
578	S	58.6	Low	60.2	Low	51 Å²	51	75.4 Å²	75.4	36%	0.357	37%	0.374	S	S	.	.	H	α-helix	trans	-48.5	-47.4	170.4	171.3	0	0	0	0	112.7	Y566 S580 L581 L582	Y566-S578 VanDerWaalsContact CD2-N 3.26Å; S578-S580 PolarHBondContact O-N 3.15Å; S578-L581 PolarHBondContact O-N 3.24Å; S578-L581 VanDerWaalsContact O-N 3.11Å; S578-L582 WeakPolarHBondContact O-CB 3.27Å; S578-L582 WeakPolarHBondContact O-CG 3.29Å; S578-L582 PolarHBondContact O-N 3.19Å
579	K	59.4	Low	59.6	Low	182 Å²	182	78.8 Å²	78.8	79%	0.791	40%	0.395	S	S	*	.	H	α-helix	trans	-62.8	-24.8	179.1	-171.2	171	-179.3	175	0	113.6	R577 L583	R577-K579 VanDerWaalsContact C-N 3.3Å; R577-K579 PolarHBondContact O-N 3.42Å; K579-L583 WeakPolarHBondContact O-CB 3.4Å; K579-L583 PolarHBondContact O-N 3.23Å
580	S	64.8	Low	58.8	Low	46 Å²	46	76.1 Å²	76.1	32%	0.322	39%	0.385	S	S	.	.	H	α-helix	trans	-80	-40	173.7	-59.3	0	0	0	0	111.6	R577 S578 L583 H584	R577-S580 WeakPolarHBondContact O-CA 3.5Å; R577-S580 WeakPolarHBondContact O-CB 3.39Å; R577-S580 PolarHBondContact O-N 2.88Å; S578-S580 PolarHBondContact O-N 3.15Å; S580-L583 WeakPolarHBondContact O-CB 3.38Å; S580-L583 PolarHBondContact O-N 3.29Å; S580-H584 PolarHBondContact O-N 2.9Å
581	L	65.8	Low	58.6	Low	18 Å²	18	79.7 Å²	79.7	9%	0.094	40%	0.399	C	S	.	.	H	α-helix	trans	-61.7	-48.9	171.6	173.4	62	0	0	0	111.1	C568 F575 R577 S578 L583 H584 Q585	C568-L581 HydrophobicContact CB-CD1 3.68Å; F575-L581 HydrophobicContact CB-CB 4.27Å; F575-L581 HydrophobicContact CD2-CB 4.12Å; F575-L581 HydrophobicContact CD2-CD1 3.93Å; F575-L581 HydrophobicContact CE2-CD1 4.23Å; F575-L581 HydrophobicContact CG-CB 4.33Å; R577-L581 PolarHBondContact O-N 3.03Å; R577-L581 VanDerWaalsContact O-N 3.1Å; S578-L581 PolarHBondContact O-N 3.24Å; S578-L581 VanDerWaalsContact O-N 3.11Å; L581-L583 PolarHBondContact O-N 2.81Å; L581-L583 VanDerWaalsContact O-N 3.11Å; L581-H584 CarbonylContact O-C 3.6Å; L581-H584 WeakPolarHBondContact O-CA 3.42Å; L581-H584 WeakPolarHBondContact O-CB 3.44Å; L581-H584 PolarHBondContact O-N 3.31Å; L581-Q585 HydrophobicContact CD1-CG 3.82Å; L581-Q585 HydrophobicContact CG-CG 4.22Å; L581-Q585 WeakPolarHBondContact O-CG 3.19Å; L581-Q585 PolarHBondContact O-N 2.91Å
582	L	62.6	Low	58.4	Low	84 Å²	84	83 Å²	83	44%	0.44	41%	0.408	S	S	.	.	H	α-helix	trans	-62.8	-16.9	176.6	-70.6	171.4	0	0	0	113.7	S578 R586	S578-L582 WeakPolarHBondContact O-CB 3.27Å; S578-L582 WeakPolarHBondContact O-CG 3.29Å; S578-L582 PolarHBondContact O-N 3.19Å; L582-R586 WeakPolarHBondContact O-CG 3.49Å; L582-R586 PolarHBondContact O-NE 3.26Å
583	L	58.1	Low	58.4	Low	60 Å²	60	85 Å²	85	31%	0.314	41%	0.414	S	S	.	.	H	α-helix	trans	-86.3	-31.1	171	-169.2	74.8	0	0	0	111.5	K579 S580 L581 S604	K579-L583 WeakPolarHBondContact O-CB 3.4Å; K579-L583 PolarHBondContact O-N 3.23Å; S580-L583 WeakPolarHBondContact O-CB 3.38Å; S580-L583 PolarHBondContact O-N 3.29Å; L581-L583 PolarHBondContact O-N 2.81Å; L581-L583 VanDerWaalsContact O-N 3.11Å; L583-S604 WeakPolarHBondContact CD1-O 2.91Å
584	H	60.4	Low	58.7	Low	25 Å²	25	81.6 Å²	81.6	12%	0.116	40%	0.399	C	S	.	.	H	α-helix	trans	-80.6	-36.8	179.7	176.6	50	0	0	0	113.1	C568 C571 F575 S580 L581 R586 V587 H588	C568-H584 VanDerWaalsContact SG-CD2 3.58Å; C571-H584 PolarHBondContact SG-NE2 3.27Å; F575-H584 HydrophobicContact CE1-CB 4.07Å; F575-H584 HydrophobicContact CE2-CB 3.96Å; F575-H584 AromaticContact CE2-CD2 3.22Å; F575-H584 WeakPolarHBondContact CE2-CD2 3.27Å; F575-H584 AromaticContact CE2-CG 3.72Å; F575-H584 HydrophobicContact CZ-CB 3.56Å; F575-H584 AromaticContact CZ-CD2 3.29Å; F575-H584 WeakPolarHBondContact CZ-CD2 3.48Å; F575-H584 AromaticContact CZ-CG 3.34Å; F575-H584 AromaticContact CZ-NE2 3.98Å; S580-H584 PolarHBondContact O-N 2.9Å; L581-H584 CarbonylContact O-C 3.6Å; L581-H584 WeakPolarHBondContact O-CA 3.42Å; L581-H584 WeakPolarHBondContact O-CB 3.44Å; L581-H584 PolarHBondContact O-N 3.31Å; H584-R586 PolarHBondContact O-N 2.8Å; H584-R586 VanDerWaalsContact O-N 3.14Å; H584-V587 WeakPolarHBondContact O-CB 3.4Å; H584-V587 WeakPolarHBondContact O-CG2 3.47Å; H584-V587 PolarHBondContact O-N 3.18Å; H584-H588 AromaticContact CD2-NE2 3.82Å; H584-H588 AromaticContact CE1-CE1 3.6Å; H584-H588 AromaticContact CE1-NE2 3.4Å; H584-H588 PolarHBondContact CE1-NE2 3.49Å; H584-H588 AromaticContact NE2-CE1 3.73Å; H584-H588 AromaticContact NE2-NE2 3.15Å; H584-H588 PolarHBondContact NE2-NE2 3.46Å; H584-H588 VanDerWaalsContact NE2-NE2 3.15Å
585	Q	61.2	Low	58.3	Low	52 Å²	52	80.5 Å²	80.5	24%	0.243	40%	0.4	C	S	.	.	H	α-helix	trans	-62.9	-19.7	175.2	-68.1	174.6	-69.3	0	0	112.7	L581 V587 H588 T589	L581-Q585 HydrophobicContact CD1-CG 3.82Å; L581-Q585 HydrophobicContact CG-CG 4.22Å; L581-Q585 WeakPolarHBondContact O-CG 3.19Å; L581-Q585 PolarHBondContact O-N 2.91Å; Q585-V587 PolarHBondContact O-N 2.57Å; Q585-H588 PolarHBondContact O-N 2.95Å; Q585-T589 PolarHBondContact O-N 3.32Å; Q585-T589 PolarHBondContact O-OG1 2.72Å
586	R	65.7	Low	57.7	Low	125 Å²	125	78.7 Å²	78.7	47%	0.472	39%	0.393	S	S	.	.	H	α-helix	trans	-78.7	8.1	169.5	-54	175	-153.8	-150.8	-6	114	L582 H584	L582-R586 WeakPolarHBondContact O-CG 3.49Å; L582-R586 PolarHBondContact O-NE 3.26Å; H584-R586 PolarHBondContact O-N 2.8Å; H584-R586 VanDerWaalsContact O-N 3.14Å
587	V	56.3	Low	57.7	Low	95 Å²	95	87 Å²	87	58%	0.576	43%	0.427	S	S	*	.	H	α-helix	trans	-99	-26.3	168.6	-174.8	0	0	0	0	110.2	H584 Q585	H584-V587 WeakPolarHBondContact O-CB 3.4Å; H584-V587 WeakPolarHBondContact O-CG2 3.47Å; H584-V587 PolarHBondContact O-N 3.18Å; Q585-V587 PolarHBondContact O-N 2.57Å
588	H	57.6	Low	57.2	Low	66 Å²	66	87.3 Å²	87.3	31%	0.306	43%	0.432	S	S	.	.	H	α-helix	trans	-92.8	-44	176.1	-49.5	-45.8	0	0	0	111.3	C568 E570 C571 H584 Q585	C568-H588 PolarHBondContact SG-CD2 3.08Å; C568-H588 PolarHBondContact SG-NE2 3.46Å; E570-H588 HydrophobicContact CB-CB 4.32Å; E570-H588 HydrophobicContact CG-CB 4.33Å; E570-H588 WeakPolarHBondContact OE1-CB 3.5Å; E570-H588 IonicContact OE1-CD2 2.75Å; E570-H588 IonicContact OE2-CD2 2.8Å; C571-H588 PolarHBondContact SG-CE1 3.45Å; C571-H588 PolarHBondContact SG-NE2 3.34Å; C571-H588 VanDerWaalsContact SG-NE2 3.36Å; H584-H588 AromaticContact CD2-NE2 3.82Å; H584-H588 AromaticContact CE1-CE1 3.6Å; H584-H588 AromaticContact CE1-NE2 3.4Å; H584-H588 PolarHBondContact CE1-NE2 3.49Å; H584-H588 AromaticContact NE2-CE1 3.73Å; H584-H588 AromaticContact NE2-NE2 3.15Å; H584-H588 PolarHBondContact NE2-NE2 3.46Å; H584-H588 VanDerWaalsContact NE2-NE2 3.15Å; Q585-H588 PolarHBondContact O-N 2.95Å
589	T	51.2	Low	56.7	Low	71 Å²	71	87.5 Å²	87.5	44%	0.436	43%	0.433	S	S	.	.	S	Bend	trans	-79.1	120.1	171.4	55.4	0	0	0	0	110.8	Q585 K591	Q585-T589 PolarHBondContact O-N 3.32Å; Q585-T589 PolarHBondContact O-OG1 2.72Å; T589-K591 PolarHBondContact O-N 2.85Å
590	E	48.5	Very low	56.2	Low	146 Å²	146	81.6 Å²	81.6	68%	0.682	42%	0.424	S	S	*	.			trans	-66.1	16.3	-172.4	-79.7	-119.8	113.3	0	0	116.3	K592	E590-K592 WeakPolarHBondContact O-CG 3.31Å; E590-K592 PolarHBondContact O-N 2.79Å; E590-K592 VanDerWaalsContact OE1-CE 3.27Å; E590-K592 WeakPolarHBondContact OE1-CE 3.29Å; E590-K592 IonicContact OE1-NZ 3.93Å; E590-K592 PolarHBondContact OE1-NZ 3.31Å; E590-K592 IonicContact OE2-NZ 3.31Å; E590-K592 PolarHBondContact OE2-NZ 2.83Å
591	K	51.6	Low	55.2	Low	173 Å²	173	83.7 Å²	83.7	75%	0.752	43%	0.427	S	S	*	.			trans	-74.4	74.1	176.8	-77.8	-174.1	173.5	177.5	0	111.9	T589 T593	T589-K591 PolarHBondContact O-N 2.85Å; K591-T593 PolarHBondContact O-N 3.27Å
592	K	54	Low	54.4	Low	120 Å²	120	87.1 Å²	87.1	52%	0.522	44%	0.444	S	S	.	.			trans	-56.6	92	176	-67.5	152.4	-179.3	153.1	0	111.3	E590 I602	E590-K592 WeakPolarHBondContact O-CG 3.31Å; E590-K592 PolarHBondContact O-N 2.79Å; E590-K592 VanDerWaalsContact OE1-CE 3.27Å; E590-K592 WeakPolarHBondContact OE1-CE 3.29Å; E590-K592 IonicContact OE1-NZ 3.93Å; E590-K592 PolarHBondContact OE1-NZ 3.31Å; E590-K592 IonicContact OE2-NZ 3.31Å; E590-K592 PolarHBondContact OE2-NZ 2.83Å; K592-I602 HydrophobicContact CB-CG2 4.13Å; K592-I602 HydrophobicContact CD-CD1 4.25Å; K592-I602 HydrophobicContact CG-CD1 4.02Å; K592-I602 HydrophobicContact CG-CG1 4.46Å; K592-I602 HydrophobicContact CG-CG2 4.24Å
593	T	57.2	Low	54.3	Low	77 Å²	77	85.3 Å²	85.3	47%	0.472	43%	0.433	S	S	.	.			trans	-98.1	-24.8	-171.7	36.3	0	0	0	0	116.1	K591	K591-T593 PolarHBondContact O-N 3.27Å
594	F	59.2	Low	53.8	Low	55 Å²	55	84.1 Å²	84.1	24%	0.241	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	73.9	179.9	-55.1	-71.4	0	0	0	111.8	I602 F603 K606 F609	F594-I602 WeakPolarHBondContact O-CA 3.44Å; F594-F603 HydrophobicContact CB-CB 4.49Å; F594-F603 WeakPolarHBondContact CB-O 3.47Å; F594-F603 PolarHBondContact O-N 3.19Å; F594-K606 HydrophobicContact CD1-CB 4.43Å; F594-K606 HydrophobicContact CD1-CG 4.44Å; F594-K606 HydrophobicContact CE1-CB 3.98Å; F594-K606 HydrophobicContact CE1-CD 4.16Å; F594-K606 HydrophobicContact CE1-CG 3.99Å; F594-K606 HydrophobicContact CE2-CB 4.05Å; F594-K606 HydrophobicContact CZ-CB 3.78Å; F594-K606 HydrophobicContact CZ-CD 4.37Å; F594-K606 HydrophobicContact CZ-CG 4.26Å; F594-F609 HydrophobicContact CB-CB 3.78Å; F594-F609 HydrophobicContact CB-CD1 4.15Å; F594-F609 HydrophobicContact CB-CD2 4Å; F594-F609 HydrophobicContact CB-CG 3.71Å; F594-F609 HydrophobicContact CD1-CD1 4.26Å; F594-F609 HydrophobicContact CG-CB 4.37Å; F594-F609 HydrophobicContact CG-CG 4.45Å
595	G	47.7	Very low	53.6	Low	38 Å²	38	84 Å²	84	39%	0.392	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	135.2	174.4	0	0	0	0	0	113	K597 F609	G595-K597 PolarHBondContact O-N 3.11Å; G595-F609 WeakPolarHBondContact O-CE2 3.25Å
596	C	54.7	Low	53.3	Low	10 Å²	10	87.6 Å²	87.6	7%	0.068	45%	0.446	C	S	.	.			trans	-86.3	102.7	174.4	-167.4	0	0	0	0	111.5	K598 C599 G600 K601 F609 H612 H616	C596-K598 PolarHBondContact O-N 2.94Å; C596-C599 PolarHBondContact O-N 3.31Å; C596-G600 PolarHBondContact O-N 2.94Å; C596-K601 WeakPolarHBondContact CB-O 3.47Å; C596-K601 PolarHBondContact N-O 2.9Å; C596-F609 HydrophobicContact CB-CE2 4.07Å; C596-H612 WeakPolarHBondContact CB-NE2 3.39Å; C596-H616 VanDerWaalsContact SG-CD2 3.54Å; C596-H616 PolarHBondContact SG-NE2 2.93Å; C596-H616 VanDerWaalsContact SG-NE2 3.4Å
597	K	55.2	Low	52.9	Low	219 Å²	219	85.3 Å²	85.3	95%	0.952	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-24.4	176.3	-66.5	-165.3	175.4	-167.3	0	114.4	G595	G595-K597 PolarHBondContact O-N 3.11Å
598	K	50.8	Low	53.1	Low	121 Å²	121	84.8 Å²	84.8	53%	0.526	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-4.5	178.4	-74.8	-134.4	162.4	-141.6	0	116.1	C596 E731	C596-K598 PolarHBondContact O-N 2.94Å; K598-E731 IonicContact NZ-OE1 3.19Å; K598-E731 PolarHBondContact NZ-OE1 3.37Å; K598-E731 IonicContact NZ-OE2 3.06Å; K598-E731 PolarHBondContact NZ-OE2 3.01Å
599	C	48.1	Very low	53.4	Low	55 Å²	55	83.5 Å²	83.5	37%	0.372	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-161	25.4	170.9	75.5	0	0	0	0	115.8	C596 K601 H612 H616	C596-C599 PolarHBondContact O-N 3.31Å; C599-K601 PolarHBondContact O-N 2.87Å; C599-H612 VanDerWaalsContact SG-CE1 3.53Å; C599-H612 PolarHBondContact SG-NE2 2.99Å; C599-H616 VanDerWaalsContact SG-CE1 3.56Å; C599-H616 PolarHBondContact SG-NE2 3.37Å; C599-H616 VanDerWaalsContact SG-NE2 3.44Å
600	G	49.3	Very low	53.8	Low	58 Å²	58	83.9 Å²	83.9	60%	0.598	44%	0.436	S	S	*	.			trans	67.7	-17.4	176.1	0	0	0	0	0	117.1	C596 I602	C596-G600 PolarHBondContact O-N 2.94Å; G600-I602 PolarHBondContact O-N 2.91Å
601	K	43.8	Very low	54.3	Low	89 Å²	89	78.6 Å²	78.6	39%	0.387	41%	0.412	S	S	.	.			trans	-67.5	127.5	-171.9	-68.7	-178	-175.6	-177.1	0	112.1	C596 C599 F603 M722	C596-K601 WeakPolarHBondContact CB-O 3.47Å; C596-K601 PolarHBondContact N-O 2.9Å; C599-K601 PolarHBondContact O-N 2.87Å; K601-F603 HydrophobicContact CB-CE2 3.65Å; K601-F603 HydrophobicContact CB-CZ 3.93Å; K601-F603 WeakPolarHBondContact O-CD2 3.38Å; K601-F603 VanDerWaalsContact O-CE2 3.29Å; K601-F603 WeakPolarHBondContact O-CE2 3.37Å; K601-M722 PolarHBondContact NZ-SD 2.91Å
602	I	48.7	Very low	54.9	Low	91 Å²	91	71.8 Å²	71.8	47%	0.467	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	142.2	178.8	-61.8	134.4	0	0	0	109.6	K592 F594 G600	K592-I602 HydrophobicContact CB-CG2 4.13Å; K592-I602 HydrophobicContact CD-CD1 4.25Å; K592-I602 HydrophobicContact CG-CD1 4.02Å; K592-I602 HydrophobicContact CG-CG1 4.46Å; K592-I602 HydrophobicContact CG-CG2 4.24Å; F594-I602 WeakPolarHBondContact O-CA 3.44Å; G600-I602 PolarHBondContact O-N 2.91Å
603	F	61.3	Low	55.1	Low	45 Å²	45	71.7 Å²	71.7	20%	0.197	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	136.9	-177.9	-63.3	-94.3	0	0	0	110.6	F594 K601 S605 N608 F609 H612	F594-F603 HydrophobicContact CB-CB 4.49Å; F594-F603 WeakPolarHBondContact CB-O 3.47Å; F594-F603 PolarHBondContact O-N 3.19Å; K601-F603 HydrophobicContact CB-CE2 3.65Å; K601-F603 HydrophobicContact CB-CZ 3.93Å; K601-F603 WeakPolarHBondContact O-CD2 3.38Å; K601-F603 VanDerWaalsContact O-CE2 3.29Å; K601-F603 WeakPolarHBondContact O-CE2 3.37Å; F603-S605 VanDerWaalsContact C-N 3.28Å; F603-S605 PolarHBondContact O-N 3.22Å; F603-N608 HydrophobicContact CD1-CB 4.09Å; F603-F609 HydrophobicContact CB-CB 4.05Å; F603-F609 HydrophobicContact CD2-CB 4.45Å; F603-F609 AromaticContact CD2-CD2 3.99Å; F603-F609 HydrophobicContact CD2-CD2 3.99Å; F603-F609 HydrophobicContact CG-CB 4.35Å; F603-H612 HydrophobicContact CE1-CB 3.91Å; F603-H612 HydrophobicContact CE2-CB 3.91Å; F603-H612 AromaticContact CE2-CD2 3.2Å; F603-H612 WeakPolarHBondContact CE2-CD2 3.31Å; F603-H612 AromaticContact CE2-CG 3.47Å; F603-H612 VanDerWaalsContact CE2-CG 3.47Å; F603-H612 AromaticContact CE2-NE2 3.73Å; F603-H612 HydrophobicContact CZ-CB 3.55Å; F603-H612 AromaticContact CZ-CD2 3.44Å; F603-H612 VanDerWaalsContact CZ-CD2 3.44Å; F603-H612 WeakPolarHBondContact CZ-CD2 3.36Å; F603-H612 AromaticContact CZ-CE1 3.93Å; F603-H612 AromaticContact CZ-CG 3.19Å; F603-H612 AromaticContact CZ-ND1 3.54Å; F603-H612 AromaticContact CZ-NE2 3.88Å
604	S	47.3	Very low	55.5	Low	36 Å²	36	70.6 Å²	70.6	25%	0.252	37%	0.37	S	S	.	.	S	Bend	trans	-70.8	-23.1	176.4	53.6	0	0	0	0	113.4	L583	L583-S604 WeakPolarHBondContact CD1-O 2.91Å
605	S	56.3	Low	55.3	Low	21 Å²	21	73.9 Å²	73.9	15%	0.147	39%	0.387	C	S	.	.	S	Bend	trans	-120.3	132.6	-175.9	174.9	0	0	0	0	112.6	F603 S607 N608 F609	F603-S605 VanDerWaalsContact C-N 3.28Å; F603-S605 PolarHBondContact O-N 3.22Å; S605-S607 PolarHBondContact O-N 3.3Å; S605-S607 PolarHBondContact OG-N 3.35Å; S605-N608 PolarHBondContact O-N 3.36Å; S605-F609 PolarHBondContact O-N 3.17Å
606	K	55.4	Low	55.8	Low	129 Å²	129	74 Å²	74	56%	0.561	38%	0.378	S	S	*	.	H	α-helix	trans	-57.1	-34.5	173.5	-170.2	172.3	179.8	175.9	0	112.5	F594 F609 L610	F594-K606 HydrophobicContact CD1-CB 4.43Å; F594-K606 HydrophobicContact CD1-CG 4.44Å; F594-K606 HydrophobicContact CE1-CB 3.98Å; F594-K606 HydrophobicContact CE1-CD 4.16Å; F594-K606 HydrophobicContact CE1-CG 3.99Å; F594-K606 HydrophobicContact CE2-CB 4.05Å; F594-K606 HydrophobicContact CZ-CB 3.78Å; F594-K606 HydrophobicContact CZ-CD 4.37Å; F594-K606 HydrophobicContact CZ-CG 4.26Å; K606-F609 PolarHBondContact O-N 3.03Å; K606-L610 HydrophobicContact CG-CD1 4.17Å; K606-L610 WeakPolarHBondContact O-CB 3.34Å; K606-L610 VanDerWaalsContact O-CG 3.27Å; K606-L610 WeakPolarHBondContact O-CG 3.44Å; K606-L610 PolarHBondContact O-N 3.15Å
607	S	57.4	Low	55.8	Low	76 Å²	76	76.2 Å²	76.2	53%	0.531	39%	0.393	S	S	.	.	H	α-helix	trans	-66.9	-46.9	176.5	-50.7	0	0	0	0	111.5	S605 F609 L610 D611	S605-S607 PolarHBondContact O-N 3.3Å; S605-S607 PolarHBondContact OG-N 3.35Å; S607-F609 VanDerWaalsContact C-N 3.27Å; S607-F609 PolarHBondContact O-N 3.43Å; S607-L610 PolarHBondContact O-N 3.47Å; S607-D611 PolarHBondContact O-N 2.85Å
608	N	59.8	Low	55.6	Low	84 Å²	84	73.4 Å²	73.4	45%	0.449	38%	0.377	S	S	.	.	H	α-helix	trans	-64.8	-35.6	178.6	-58	14.7	0	0	0	110.8	F603 S605 H612	F603-N608 HydrophobicContact CD1-CB 4.09Å; S605-N608 PolarHBondContact O-N 3.36Å; N608-H612 VanDerWaalsContact O-CB 3.25Å; N608-H612 WeakPolarHBondContact O-CB 3.27Å; N608-H612 PolarHBondContact O-N 2.9Å
609	F	62.8	Low	55.7	Low	40 Å²	40	72.5 Å²	72.5	18%	0.175	37%	0.374	C	S	.	.	H	α-helix	trans	-64.3	-43.6	172.6	175.5	-114	0	0	0	112.9	F594 G595 C596 F603 S605 K606 S607 H612 K613	F594-F609 HydrophobicContact CB-CB 3.78Å; F594-F609 HydrophobicContact CB-CD1 4.15Å; F594-F609 HydrophobicContact CB-CD2 4Å; F594-F609 HydrophobicContact CB-CG 3.71Å; F594-F609 HydrophobicContact CD1-CD1 4.26Å; F594-F609 HydrophobicContact CG-CB 4.37Å; F594-F609 HydrophobicContact CG-CG 4.45Å; G595-F609 WeakPolarHBondContact O-CE2 3.25Å; C596-F609 HydrophobicContact CB-CE2 4.07Å; F603-F609 HydrophobicContact CB-CB 4.05Å; F603-F609 HydrophobicContact CD2-CB 4.45Å; F603-F609 AromaticContact CD2-CD2 3.99Å; F603-F609 HydrophobicContact CD2-CD2 3.99Å; F603-F609 HydrophobicContact CG-CB 4.35Å; S605-F609 PolarHBondContact O-N 3.17Å; K606-F609 PolarHBondContact O-N 3.03Å; S607-F609 VanDerWaalsContact C-N 3.27Å; S607-F609 PolarHBondContact O-N 3.43Å; F609-H612 CarbonylContact O-C 3.52Å; F609-H612 PolarHBondContact O-N 2.6Å; F609-K613 WeakPolarHBondContact O-CB 3.37Å; F609-K613 PolarHBondContact O-N 3.48Å
610	L	60.1	Low	56.2	Low	78 Å²	78	75.2 Å²	75.2	41%	0.408	38%	0.38	S	S	.	.	H	α-helix	trans	-68.8	-39.9	178.1	-72.3	169.3	0	0	0	111.9	K606 S607 H612 K613 R614	K606-L610 HydrophobicContact CG-CD1 4.17Å; K606-L610 WeakPolarHBondContact O-CB 3.34Å; K606-L610 VanDerWaalsContact O-CG 3.27Å; K606-L610 WeakPolarHBondContact O-CG 3.44Å; K606-L610 PolarHBondContact O-N 3.15Å; S607-L610 PolarHBondContact O-N 3.47Å; L610-H612 VanDerWaalsContact C-N 3.31Å; L610-H612 PolarHBondContact O-N 2.75Å; L610-K613 WeakPolarHBondContact O-CB 3.23Å; L610-K613 PolarHBondContact O-N 3.02Å; L610-R614 WeakPolarHBondContact O-CG 3.5Å; L610-R614 PolarHBondContact O-N 3.37Å
611	D	59.7	Low	56.9	Low	35 Å²	35	75.9 Å²	75.9	19%	0.187	37%	0.373	C	S	.	.	H	α-helix	trans	-61.3	-41.4	171.5	-73.3	-9	0	0	0	111.8	S607 R614 M615 Q633	S607-D611 PolarHBondContact O-N 2.85Å; D611-R614 PolarHBondContact O-N 3.03Å; D611-R614 IonicContact OD1-CZ 3.95Å; D611-R614 IonicContact OD1-NE 3.17Å; D611-R614 IonicContact OD1-NH2 2.75Å; D611-R614 PolarHBondContact OD1-NH2 3.08Å; D611-M615 PolarHBondContact O-N 3.22Å; D611-Q633 PolarHBondContact OD2-NE2 3.15Å
612	H	63.3	Low	58	Low	30 Å²	30	75.1 Å²	75.1	14%	0.139	37%	0.369	C	S	.	.	H	α-helix	trans	-65.7	-38.6	172.6	176.7	68.5	0	0	0	112.6	C596 C599 F603 N608 F609 L610 R614 M615 H616	C596-H612 WeakPolarHBondContact CB-NE2 3.39Å; C599-H612 VanDerWaalsContact SG-CE1 3.53Å; C599-H612 PolarHBondContact SG-NE2 2.99Å; F603-H612 HydrophobicContact CE1-CB 3.91Å; F603-H612 HydrophobicContact CE2-CB 3.91Å; F603-H612 AromaticContact CE2-CD2 3.2Å; F603-H612 WeakPolarHBondContact CE2-CD2 3.31Å; F603-H612 AromaticContact CE2-CG 3.47Å; F603-H612 VanDerWaalsContact CE2-CG 3.47Å; F603-H612 AromaticContact CE2-NE2 3.73Å; F603-H612 HydrophobicContact CZ-CB 3.55Å; F603-H612 AromaticContact CZ-CD2 3.44Å; F603-H612 VanDerWaalsContact CZ-CD2 3.44Å; F603-H612 WeakPolarHBondContact CZ-CD2 3.36Å; F603-H612 AromaticContact CZ-CE1 3.93Å; F603-H612 AromaticContact CZ-CG 3.19Å; F603-H612 AromaticContact CZ-ND1 3.54Å; F603-H612 AromaticContact CZ-NE2 3.88Å; N608-H612 VanDerWaalsContact O-CB 3.25Å; N608-H612 WeakPolarHBondContact O-CB 3.27Å; N608-H612 PolarHBondContact O-N 2.9Å; F609-H612 CarbonylContact O-C 3.52Å; F609-H612 PolarHBondContact O-N 2.6Å; L610-H612 VanDerWaalsContact C-N 3.31Å; L610-H612 PolarHBondContact O-N 2.75Å; H612-R614 VanDerWaalsContact C-N 3.32Å; H612-R614 PolarHBondContact O-N 3.48Å; H612-M615 VanDerWaalsContact O-CB 3.3Å; H612-M615 WeakPolarHBondContact O-CB 3.33Å; H612-M615 PolarHBondContact O-N 2.58Å; H612-M615 VanDerWaalsContact O-N 3.1Å; H612-H616 AromaticContact CD2-NE2 3.81Å; H612-H616 AromaticContact CE1-NE2 3.29Å; H612-H616 PolarHBondContact CE1-NE2 3.18Å; H612-H616 VanDerWaalsContact CE1-NE2 3.29Å; H612-H616 AromaticContact NE2-CD2 3.72Å; H612-H616 AromaticContact NE2-NE2 3.01Å; H612-H616 PolarHBondContact NE2-NE2 2.84Å; H612-H616 PolarHBondContact O-CD2 3.21Å
613	K	58.4	Low	58.3	Low	118 Å²	118	78.1 Å²	78.1	51%	0.513	38%	0.378	S	S	.	.	H	α-helix	trans	-61.1	-40.5	174.7	-168.3	-176.7	176.9	-170.3	0	111	F609 L610 M615 H616 S617	F609-K613 WeakPolarHBondContact O-CB 3.37Å; F609-K613 PolarHBondContact O-N 3.48Å; L610-K613 WeakPolarHBondContact O-CB 3.23Å; L610-K613 PolarHBondContact O-N 3.02Å; K613-M615 PolarHBondContact O-N 2.77Å; K613-H616 WeakPolarHBondContact O-CA 3.43Å; K613-H616 WeakPolarHBondContact O-CB 3.36Å; K613-H616 PolarHBondContact O-N 2.94Å; K613-S617 PolarHBondContact O-N 3.5Å; K613-S617 PolarHBondContact O-OG 3.49Å
614	R	66.7	Low	58.3	Low	55 Å²	55	76.1 Å²	76.1	21%	0.208	37%	0.37	C	S	.	.	H	α-helix	trans	-61.8	-25.7	174.3	-71.5	-170.5	-80.6	-165.5	2.1	113.6	L610 D611 H612 H616 E619 Y622	L610-R614 WeakPolarHBondContact O-CG 3.5Å; L610-R614 PolarHBondContact O-N 3.37Å; D611-R614 PolarHBondContact O-N 3.03Å; D611-R614 IonicContact OD1-CZ 3.95Å; D611-R614 IonicContact OD1-NE 3.17Å; D611-R614 IonicContact OD1-NH2 2.75Å; D611-R614 PolarHBondContact OD1-NH2 3.08Å; H612-R614 VanDerWaalsContact C-N 3.32Å; H612-R614 PolarHBondContact O-N 3.48Å; R614-H616 PolarHBondContact O-N 3.48Å; R614-E619 HydrophobicContact CG-CB 4.35Å; R614-Y622 PolarHBondContact NH1-OH 2.78Å
615	M	55.1	Low	59.1	Low	123 Å²	123	80.4 Å²	80.4	61%	0.606	40%	0.395	S	S	*	.	H	α-helix	trans	-67.6	-21.8	170.3	-58.7	-63	-60.5	0	0	113.3	D611 H612 K613 T632	D611-M615 PolarHBondContact O-N 3.22Å; H612-M615 VanDerWaalsContact O-CB 3.3Å; H612-M615 WeakPolarHBondContact O-CB 3.33Å; H612-M615 PolarHBondContact O-N 2.58Å; H612-M615 VanDerWaalsContact O-N 3.1Å; K613-M615 PolarHBondContact O-N 2.77Å; M615-T632 HydrophobicContact SD-CG2 3.78Å
616	H	57.7	Low	58.8	Low	42 Å²	42	84.8 Å²	84.8	19%	0.194	41%	0.413	C	S	.	.	H	α-helix	trans	-95.4	-32.6	-179	-67.7	-71.4	0	0	0	113.9	C596 C599 H612 K613 R614 K732	C596-H616 VanDerWaalsContact SG-CD2 3.54Å; C596-H616 PolarHBondContact SG-NE2 2.93Å; C596-H616 VanDerWaalsContact SG-NE2 3.4Å; C599-H616 VanDerWaalsContact SG-CE1 3.56Å; C599-H616 PolarHBondContact SG-NE2 3.37Å; C599-H616 VanDerWaalsContact SG-NE2 3.44Å; H612-H616 AromaticContact CD2-NE2 3.81Å; H612-H616 AromaticContact CE1-NE2 3.29Å; H612-H616 PolarHBondContact CE1-NE2 3.18Å; H612-H616 VanDerWaalsContact CE1-NE2 3.29Å; H612-H616 AromaticContact NE2-CD2 3.72Å; H612-H616 AromaticContact NE2-NE2 3.01Å; H612-H616 PolarHBondContact NE2-NE2 2.84Å; H612-H616 PolarHBondContact O-CD2 3.21Å; K613-H616 WeakPolarHBondContact O-CA 3.43Å; K613-H616 WeakPolarHBondContact O-CB 3.36Å; K613-H616 PolarHBondContact O-N 2.94Å; R614-H616 PolarHBondContact O-N 3.48Å; H616-K732 PolarHBondContact O-NZ 2.84Å
617	S	53.8	Low	58.7	Low	55 Å²	55	80.8 Å²	80.8	39%	0.385	40%	0.4	S	S	.	.	S	Bend	trans	-88.4	3.1	-179.2	56.6	0	0	0	0	114.6	K613 E619	K613-S617 PolarHBondContact O-N 3.5Å; K613-S617 PolarHBondContact O-OG 3.49Å; S617-E619 WeakPolarHBondContact CB-OE1 3.21Å; S617-E619 PolarHBondContact O-N 3.44Å; S617-E619 VanDerWaalsContact OG-CD 3.26Å; S617-E619 PolarHBondContact OG-OE1 2.56Å
618	R	52.4	Low	58.5	Low	161 Å²	161	79.8 Å²	79.8	61%	0.608	40%	0.403	S	S	*	.			trans	62.3	-4.1	-176.6	-64.1	179.7	170.9	159.9	0.1	115.5	K620 Y734	R618-K620 PolarHBondContact O-N 3.41Å; R618-Y734 PolarHBondContact NE-OH 2.85Å; R618-Y734 PolarHBondContact NH2-OH 3.15Å; R618-Y734 VanDerWaalsContact NH2-OH 3.13Å
619	E	53.1	Low	58.3	Low	102 Å²	102	81 Å²	81	48%	0.477	40%	0.404	S	S	.	.			trans	-52.8	120	175.4	-73.2	162.8	-118.3	0	0	112.1	R614 S617	R614-E619 HydrophobicContact CG-CB 4.35Å; S617-E619 WeakPolarHBondContact CB-OE1 3.21Å; S617-E619 PolarHBondContact O-N 3.44Å; S617-E619 VanDerWaalsContact OG-CD 3.26Å; S617-E619 PolarHBondContact OG-OE1 2.56Å
620	K	57.9	Low	58.1	Low	112 Å²	112	80.3 Å²	80.3	49%	0.487	41%	0.405	S	S	.	.			trans	-127.9	77.4	175.2	-74.6	166.4	154.3	-132.3	0	109.3	R618 Y622 A630 F631 T632	R618-K620 PolarHBondContact O-N 3.41Å; K620-Y622 PolarHBondContact O-N 3.15Å; K620-A630 HydrophobicContact CB-CB 3.59Å; K620-A630 HydrophobicContact CD-CB 4.12Å; K620-A630 VanDerWaalsContact CD-O 3.31Å; K620-A630 WeakPolarHBondContact CD-O 3.39Å; K620-A630 WeakPolarHBondContact CE-O 3.46Å; K620-A630 HydrophobicContact CG-CB 4.44Å; K620-A630 PolarHBondContact NZ-O 3.22Å; K620-F631 CarbonylContact C-O 3.58Å; K620-F631 VanDerWaalsContact CA-O 3.29Å; K620-F631 WeakPolarHBondContact CA-O 3.15Å; K620-T632 HydrophobicContact CG-CG2 3.91Å
621	P	63	Low	58.6	Low	71 Å²	71	78.9 Å²	78.9	46%	0.461	40%	0.396	S	S	.	.			trans	-65.1	-26.1	-171.9	-21.3	34	0	0	0	113.3	K623	P621-K623 PolarHBondContact O-N 3.18Å
622	Y	66.8	Low	58.4	Low	74 Å²	74	78.1 Å²	78.1	29%	0.29	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	86.5	-171.1	-51.4	-73	0	0	0	109.5	R614 K620 A630 F631 S634	R614-Y622 PolarHBondContact NH1-OH 2.78Å; K620-Y622 PolarHBondContact O-N 3.15Å; Y622-A630 WeakPolarHBondContact O-CA 3.48Å; Y622-F631 PolarHBondContact N-O 2.94Å; Y622-F631 PolarHBondContact O-N 3.12Å; Y622-S634 VanDerWaalsContact CD2-N 3.34Å
623	K	56.4	Low	58.4	Low	153 Å²	153	79.1 Å²	79.1	67%	0.665	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	135.3	175.3	-62	-177.6	-179.5	177.6	0	110.8	P621 A630	P621-K623 PolarHBondContact O-N 3.18Å; K623-A630 HydrophobicContact CG-CB 3.95Å
624	C	61.3	Low	58.3	Low	3 Å²	3	76.8 Å²	76.8	2%	0.02	40%	0.396	C	S	.	.			trans	-75.7	126.6	165.2	174.9	0	0	0	0	109.4	G628 K629 L637	C624-G628 VanDerWaalsContact O-CA 3.25Å; C624-G628 WeakPolarHBondContact O-CA 3.48Å; C624-G628 PolarHBondContact O-N 3.09Å; C624-K629 WeakPolarHBondContact CB-O 3.25Å; C624-K629 PolarHBondContact N-O 3.25Å; C624-L637 HydrophobicContact CB-CD1 3.57Å
625	T	63.2	Low	58	Low	126 Å²	126	76.6 Å²	76.6	77%	0.773	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-37.2	178.2	40.7	0	0	0	0	112.5
626	E	50.3	Low	58.2	Low	113 Å²	113	77 Å²	77	53%	0.528	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-22.7	-170.2	-61.5	158.6	137.7	0	0	113.9	H644	E626-H644 IonicContact OE2-CD2 3.97Å; E626-H644 PolarHBondContact OE2-CD2 2.96Å; E626-H644 IonicContact OE2-CG 2.91Å
627	C	54.5	Low	58.5	Low	45 Å²	45	76 Å²	76	30%	0.304	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.2	13.1	179.9	79.8	0	0	0	0	115.4	K629 H640 H644	C627-K629 PolarHBondContact O-N 3.49Å; C627-H640 PolarHBondContact SG-NE2 2.85Å; C627-H644 WeakPolarHBondContact CB-NE2 3.33Å; C627-H644 PolarHBondContact SG-NE2 2.96Å
628	G	51.7	Low	58.8	Low	56 Å²	56	79.3 Å²	79.3	58%	0.577	41%	0.406	S	S	*	.			trans	67.2	-5.9	175.7	0	0	0	0	0	116.3	C624 A630	C624-G628 VanDerWaalsContact O-CA 3.25Å; C624-G628 WeakPolarHBondContact O-CA 3.48Å; C624-G628 PolarHBondContact O-N 3.09Å; G628-A630 PolarHBondContact O-N 3.27Å
629	K	55.1	Low	59.1	Low	110 Å²	110	74 Å²	74	48%	0.478	39%	0.389	S	S	.	.			trans	-65.1	126.1	-176.7	-71.1	175.9	-163.7	139	0	110.8	C624 C627 F631	C624-K629 WeakPolarHBondContact CB-O 3.25Å; C624-K629 PolarHBondContact N-O 3.25Å; C627-K629 PolarHBondContact O-N 3.49Å; K629-F631 HydrophobicContact CB-CE2 3.66Å; K629-F631 HydrophobicContact CB-CZ 3.94Å; K629-F631 WeakPolarHBondContact O-CD2 3.38Å; K629-F631 WeakPolarHBondContact O-CE2 3.21Å
630	A	60.5	Low	59.6	Low	24 Å²	24	70 Å²	70	20%	0.198	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	135.9	-176	0	0	0	0	0	112.2	K620 Y622 K623 G628	K620-A630 HydrophobicContact CB-CB 3.59Å; K620-A630 HydrophobicContact CD-CB 4.12Å; K620-A630 VanDerWaalsContact CD-O 3.31Å; K620-A630 WeakPolarHBondContact CD-O 3.39Å; K620-A630 WeakPolarHBondContact CE-O 3.46Å; K620-A630 HydrophobicContact CG-CB 4.44Å; K620-A630 PolarHBondContact NZ-O 3.22Å; Y622-A630 WeakPolarHBondContact O-CA 3.48Å; K623-A630 HydrophobicContact CG-CB 3.95Å; G628-A630 PolarHBondContact O-N 3.27Å
631	F	69.3	Low	59.6	Low	48 Å²	48	67.5 Å²	67.5	21%	0.211	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	153.3	-173	-60.5	-93.5	0	0	0	111.8	K620 Y622 K629 L637 H640	K620-F631 CarbonylContact C-O 3.58Å; K620-F631 VanDerWaalsContact CA-O 3.29Å; K620-F631 WeakPolarHBondContact CA-O 3.15Å; Y622-F631 PolarHBondContact N-O 2.94Å; Y622-F631 PolarHBondContact O-N 3.12Å; K629-F631 HydrophobicContact CB-CE2 3.66Å; K629-F631 HydrophobicContact CB-CZ 3.94Å; K629-F631 WeakPolarHBondContact O-CD2 3.38Å; K629-F631 WeakPolarHBondContact O-CE2 3.21Å; F631-L637 HydrophobicContact CB-CB 4.39Å; F631-L637 HydrophobicContact CD2-CB 4.12Å; F631-L637 HydrophobicContact CD2-CD1 4.01Å; F631-L637 HydrophobicContact CE2-CD1 4.25Å; F631-L637 HydrophobicContact CG-CB 4.42Å; F631-H640 HydrophobicContact CE1-CB 4.18Å; F631-H640 HydrophobicContact CE2-CB 4.07Å; F631-H640 AromaticContact CE2-CD2 3.24Å; F631-H640 WeakPolarHBondContact CE2-CD2 3.24Å; F631-H640 AromaticContact CE2-CG 3.83Å; F631-H640 HydrophobicContact CZ-CB 3.68Å; F631-H640 AromaticContact CZ-CD2 3.25Å; F631-H640 WeakPolarHBondContact CZ-CD2 3.4Å; F631-H640 AromaticContact CZ-CG 3.43Å; F631-H640 VanDerWaalsContact CZ-CG 3.43Å
632	T	55.6	Low	59.6	Low	20 Å²	20	64.9 Å²	64.9	12%	0.123	34%	0.341	C	S	.	.	S	Bend	trans	-83.8	-17.7	-179.3	50	0	0	0	0	113.5	M615 K620	M615-T632 HydrophobicContact SD-CG2 3.78Å; K620-T632 HydrophobicContact CG-CG2 3.91Å
633	Q	63.4	Low	59	Low	50 Å²	50	66.3 Å²	66.3	23%	0.234	35%	0.354	C	S	.	.	S	Bend	trans	-133.5	145.5	176.1	-67.5	177.2	-13.7	0	0	110.3	D611 A635 Y636 L637	D611-Q633 PolarHBondContact OD2-NE2 3.15Å; Q633-A635 VanDerWaalsContact C-N 3.32Å; Q633-A635 PolarHBondContact O-N 2.85Å; Q633-Y636 HydrophobicContact CB-CD2 3.89Å; Q633-Y636 HydrophobicContact CB-CE2 4.34Å; Q633-Y636 HydrophobicContact CG-CD2 4.34Å; Q633-Y636 HydrophobicContact CG-CE2 4.35Å; Q633-Y636 PolarHBondContact O-N 2.98Å; Q633-L637 PolarHBondContact O-N 2.95Å
634	S	56.5	Low	58.6	Low	69 Å²	69	63.4 Å²	63.4	48%	0.483	34%	0.342	S	S	.	.	H	α-helix	trans	-64.8	-32.5	176.8	50.7	0	0	0	0	113.2	Y622 Y636 L637 F638	Y622-S634 VanDerWaalsContact CD2-N 3.34Å; S634-Y636 VanDerWaalsContact C-N 3.33Å; S634-Y636 PolarHBondContact O-N 2.71Å; S634-L637 WeakPolarHBondContact O-CB 3.21Å; S634-L637 PolarHBondContact O-N 3.36Å; S634-L637 VanDerWaalsContact O-N 3.15Å; S634-F638 PolarHBondContact O-N 2.86Å
635	A	60.6	Low	58.2	Low	52 Å²	52	67.6 Å²	67.6	43%	0.43	37%	0.365	S	S	.	.	H	α-helix	trans	-60	-41.7	176.3	0	0	0	0	0	112.1	Q633 L637 F638 D639	Q633-A635 VanDerWaalsContact C-N 3.32Å; Q633-A635 PolarHBondContact O-N 2.85Å; A635-L637 VanDerWaalsContact C-N 3.34Å; A635-F638 PolarHBondContact O-N 3.14Å; A635-D639 PolarHBondContact O-N 3.38Å
636	Y	60	Low	57.5	Low	130 Å²	130	64 Å²	64	51%	0.51	35%	0.352	S	S	.	.	H	α-helix	trans	-72.5	-25.7	176	-61.3	-39.7	0	0	0	113.5	Q633 S634 H640	Q633-Y636 HydrophobicContact CB-CD2 3.89Å; Q633-Y636 HydrophobicContact CB-CE2 4.34Å; Q633-Y636 HydrophobicContact CG-CD2 4.34Å; Q633-Y636 HydrophobicContact CG-CE2 4.35Å; Q633-Y636 PolarHBondContact O-N 2.98Å; S634-Y636 VanDerWaalsContact C-N 3.33Å; S634-Y636 PolarHBondContact O-N 2.71Å; Y636-H640 WeakPolarHBondContact O-CB 3.22Å; Y636-H640 PolarHBondContact O-N 3.37Å
637	L	63.9	Low	57.4	Low	21 Å²	21	62.8 Å²	62.8	11%	0.11	35%	0.346	C	S	.	.	H	α-helix	trans	-69.3	-45.2	168	172.8	60.8	0	0	0	110.6	C624 F631 Q633 S634 A635 H640 Q641	C624-L637 HydrophobicContact CB-CD1 3.57Å; F631-L637 HydrophobicContact CB-CB 4.39Å; F631-L637 HydrophobicContact CD2-CB 4.12Å; F631-L637 HydrophobicContact CD2-CD1 4.01Å; F631-L637 HydrophobicContact CE2-CD1 4.25Å; F631-L637 HydrophobicContact CG-CB 4.42Å; Q633-L637 PolarHBondContact O-N 2.95Å; S634-L637 WeakPolarHBondContact O-CB 3.21Å; S634-L637 PolarHBondContact O-N 3.36Å; S634-L637 VanDerWaalsContact O-N 3.15Å; A635-L637 VanDerWaalsContact C-N 3.34Å; L637-H640 CarbonylContact O-C 3.6Å; L637-H640 WeakPolarHBondContact O-CA 3.41Å; L637-H640 WeakPolarHBondContact O-CB 3.43Å; L637-H640 PolarHBondContact O-N 3.31Å; L637-Q641 HydrophobicContact CD1-CG 3.99Å; L637-Q641 HydrophobicContact CG-CG 4.39Å; L637-Q641 WeakPolarHBondContact O-CG 3.38Å; L637-Q641 PolarHBondContact O-N 2.88Å
638	F	60.2	Low	57.2	Low	126 Å²	126	66.6 Å²	66.6	55%	0.553	36%	0.358	S	S	*	.	H	α-helix	trans	-64	-46.5	179.9	-175.1	-101.7	0	0	0	112.4	S634 A635 H640 Q641 R642	S634-F638 PolarHBondContact O-N 2.86Å; A635-F638 PolarHBondContact O-N 3.14Å; F638-H640 PolarHBondContact O-N 2.88Å; F638-Q641 PolarHBondContact O-N 3.27Å; F638-R642 WeakPolarHBondContact O-CD 3.25Å; F638-R642 WeakPolarHBondContact O-CG 3.41Å; F638-R642 PolarHBondContact O-N 2.87Å
639	D	58	Low	57.5	Low	50 Å²	50	67.4 Å²	67.4	27%	0.267	35%	0.353	S	S	.	.	H	α-helix	trans	-62.6	-22.7	171.7	-77.1	-33.2	0	0	0	112.7	A635 R642 L661	A635-D639 PolarHBondContact O-N 3.38Å; D639-R642 IonicContact OD1-NH1 3.37Å; D639-R642 PolarHBondContact OD1-NH1 2.95Å; D639-L661 HydrophobicContact CB-CD2 4.35Å; D639-L661 WeakPolarHBondContact OD2-CD2 3.17Å
640	H	63.1	Low	57.6	Low	16 Å²	16	66 Å²	66	7%	0.074	35%	0.345	C	S	.	.	H	α-helix	trans	-83.9	-39.7	174.5	176.2	41.4	0	0	0	113.5	C627 F631 Y636 L637 F638 R642 L643 H644	C627-H640 PolarHBondContact SG-NE2 2.85Å; F631-H640 HydrophobicContact CE1-CB 4.18Å; F631-H640 HydrophobicContact CE2-CB 4.07Å; F631-H640 AromaticContact CE2-CD2 3.24Å; F631-H640 WeakPolarHBondContact CE2-CD2 3.24Å; F631-H640 AromaticContact CE2-CG 3.83Å; F631-H640 HydrophobicContact CZ-CB 3.68Å; F631-H640 AromaticContact CZ-CD2 3.25Å; F631-H640 WeakPolarHBondContact CZ-CD2 3.4Å; F631-H640 AromaticContact CZ-CG 3.43Å; F631-H640 VanDerWaalsContact CZ-CG 3.43Å; Y636-H640 WeakPolarHBondContact O-CB 3.22Å; Y636-H640 PolarHBondContact O-N 3.37Å; L637-H640 CarbonylContact O-C 3.6Å; L637-H640 WeakPolarHBondContact O-CA 3.41Å; L637-H640 WeakPolarHBondContact O-CB 3.43Å; L637-H640 PolarHBondContact O-N 3.31Å; F638-H640 PolarHBondContact O-N 2.88Å; H640-R642 PolarHBondContact O-N 3.06Å; H640-L643 VanDerWaalsContact O-CB 3.25Å; H640-L643 WeakPolarHBondContact O-CB 3.25Å; H640-L643 PolarHBondContact O-N 3.45Å; H640-H644 AromaticContact CE1-NE2 3.99Å
641	Q	58.7	Low	57.1	Low	60 Å²	60	70 Å²	70	28%	0.28	36%	0.36	S	S	.	.	H	α-helix	trans	-60.5	-32.1	175.3	-72	172.7	-73.2	0	0	111.2	L637 F638 L643 H644 N645	L637-Q641 HydrophobicContact CD1-CG 3.99Å; L637-Q641 HydrophobicContact CG-CG 4.39Å; L637-Q641 WeakPolarHBondContact O-CG 3.38Å; L637-Q641 PolarHBondContact O-N 2.88Å; F638-Q641 PolarHBondContact O-N 3.27Å; Q641-L643 PolarHBondContact O-N 3.28Å; Q641-L643 VanDerWaalsContact O-N 3.08Å; Q641-H644 WeakPolarHBondContact O-CA 3.5Å; Q641-H644 WeakPolarHBondContact O-CB 3.42Å; Q641-H644 PolarHBondContact O-N 3.39Å; Q641-N645 PolarHBondContact O-N 3.38Å; Q641-N645 VanDerWaalsContact O-N 3.12Å; Q641-N645 PolarHBondContact O-OD1 3.4Å
642	R	63.5	Low	56.4	Low	16 Å²	16	67.7 Å²	67.7	6%	0.06	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-1.4	172.8	-63.3	166.3	66.7	-114	-16.8	114.4	F638 D639 H640 I660	F638-R642 WeakPolarHBondContact O-CD 3.25Å; F638-R642 WeakPolarHBondContact O-CG 3.41Å; F638-R642 PolarHBondContact O-N 2.87Å; D639-R642 IonicContact OD1-NH1 3.37Å; D639-R642 PolarHBondContact OD1-NH1 2.95Å; H640-R642 PolarHBondContact O-N 3.06Å; R642-I660 HydrophobicContact CB-CG2 3.95Å; R642-I660 VanDerWaalsContact CZ-O 3.26Å; R642-I660 PolarHBondContact NH1-O 2.69Å; R642-I660 PolarHBondContact NH2-O 3.1Å
643	L	52.8	Low	56.5	Low	105 Å²	105	74 Å²	74	55%	0.55	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-19.6	163.4	-70	157.4	0	0	0	113.1	H640 Q641 I660	H640-L643 VanDerWaalsContact O-CB 3.25Å; H640-L643 WeakPolarHBondContact O-CB 3.25Å; H640-L643 PolarHBondContact O-N 3.45Å; Q641-L643 PolarHBondContact O-N 3.28Å; Q641-L643 VanDerWaalsContact O-N 3.08Å; L643-I660 HydrophobicContact CD2-CD1 3.37Å; L643-I660 HydrophobicContact CG-CD1 4.03Å
644	H	49.3	Very low	56	Low	91 Å²	91	76.4 Å²	76.4	42%	0.421	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-49.8	175.9	-61.2	-53.7	0	0	0	110.7	E626 C627 H640 Q641 G646	E626-H644 IonicContact OE2-CD2 3.97Å; E626-H644 PolarHBondContact OE2-CD2 2.96Å; E626-H644 IonicContact OE2-CG 2.91Å; C627-H644 WeakPolarHBondContact CB-NE2 3.33Å; C627-H644 PolarHBondContact SG-NE2 2.96Å; H640-H644 AromaticContact CE1-NE2 3.99Å; Q641-H644 WeakPolarHBondContact O-CA 3.5Å; Q641-H644 WeakPolarHBondContact O-CB 3.42Å; Q641-H644 PolarHBondContact O-N 3.39Å; H644-G646 PolarHBondContact O-N 3.47Å
645	N	51.8	Low	55.8	Low	92 Å²	92	75.6 Å²	75.6	49%	0.492	39%	0.387	S	S	.	.	S	Bend	trans	-64.2	-5	178.7	-63.8	34.9	0	0	0	114.7	Q641 E647	Q641-N645 PolarHBondContact O-N 3.38Å; Q641-N645 VanDerWaalsContact O-N 3.12Å; Q641-N645 PolarHBondContact O-OD1 3.4Å; N645-E647 HydrophobicContact CB-CG 4.08Å; N645-E647 PolarHBondContact O-N 3.17Å
646	G	49	Very low	55.3	Low	49 Å²	49	75 Å²	75	51%	0.505	39%	0.386	S	S	.	.			trans	68.6	-8.8	-175.9	0	0	0	0	0	115.8	H644 K648	H644-G646 PolarHBondContact O-N 3.47Å; G646-K648 PolarHBondContact O-N 3.27Å; G646-K648 VanDerWaalsContact O-N 3.14Å
647	E	47.2	Very low	54.8	Low	89 Å²	89	74.4 Å²	74.4	42%	0.416	39%	0.386	S	S	.	.			trans	-54.6	111.2	-177.5	-74.3	178.9	-150.8	0	0	113.6	N645 P649	N645-E647 HydrophobicContact CB-CG 4.08Å; N645-E647 PolarHBondContact O-N 3.17Å; E647-P649 HydrophobicContact CB-CG 4.33Å; E647-P649 WeakPolarHBondContact O-CD 3.47Å
648	K	50.7	Low	54	Low	124 Å²	124	76.3 Å²	76.3	54%	0.539	40%	0.399	S	S	.	.			trans	-116.4	81.9	168.9	-57.3	165.9	-159.3	161.7	0	109.1	G646 Y650 V658 F659 I660	G646-K648 PolarHBondContact O-N 3.27Å; G646-K648 VanDerWaalsContact O-N 3.14Å; K648-Y650 PolarHBondContact O-N 3.19Å; K648-V658 HydrophobicContact CB-CB 3.79Å; K648-V658 HydrophobicContact CB-CG1 3.48Å; K648-V658 VanDerWaalsContact CB-CG1 3.48Å; K648-V658 HydrophobicContact CD-CB 3.95Å; K648-V658 HydrophobicContact CG-CB 4.48Å; K648-V658 WeakPolarHBondContact O-CG1 3.42Å; K648-F659 CarbonylContact C-O 3.53Å; K648-I660 HydrophobicContact CG-CG1 4Å
649	P	58.1	Low	54.2	Low	74 Å²	74	72.7 Å²	72.7	48%	0.481	38%	0.383	S	S	.	.			trans	-85.5	11	-172.2	-9.8	30	0	0	0	113.9	E647	E647-P649 HydrophobicContact CB-CG 4.33Å; E647-P649 WeakPolarHBondContact O-CD 3.47Å
650	Y	57.4	Low	53.7	Low	80 Å²	80	72.2 Å²	72.2	31%	0.314	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	77.3	-175.4	-56.7	-56.5	0	0	0	109.9	K648 F659 I660 K662	K648-Y650 PolarHBondContact O-N 3.19Å; Y650-F659 WeakPolarHBondContact CB-O 3.45Å; Y650-F659 PolarHBondContact N-O 3.4Å; Y650-F659 PolarHBondContact O-N 3.03Å; Y650-I660 WeakPolarHBondContact CD2-O 3.28Å; Y650-I660 WeakPolarHBondContact CE2-O 3.28Å; Y650-K662 HydrophobicContact CD1-CB 4.09Å; Y650-K662 HydrophobicContact CD1-CG 4.31Å; Y650-K662 HydrophobicContact CD2-CB 4.08Å; Y650-K662 VanDerWaalsContact CD2-N 3.28Å; Y650-K662 HydrophobicContact CE1-CB 3.94Å; Y650-K662 HydrophobicContact CE1-CD 4.26Å; Y650-K662 HydrophobicContact CE1-CG 4.31Å; Y650-K662 HydrophobicContact CE2-CB 3.89Å; Y650-K662 HydrophobicContact CG-CB 4.17Å
651	E	49.6	Very low	53.3	Low	108 Å²	108	74.8 Å²	74.8	51%	0.505	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	152.2	173	-164.2	166.8	166.4	0	0	112.1	V658 L665	E651-V658 HydrophobicContact CB-CG1 3.95Å; E651-V658 HydrophobicContact CG-CG1 4.31Å; E651-V658 HydrophobicContact CG-CG2 4.43Å; E651-L665 WeakPolarHBondContact O-CD1 3.31Å; E651-L665 VanDerWaalsContact O-CD2 3.28Å; E651-L665 WeakPolarHBondContact O-CD2 3.45Å
652	C	55.7	Low	53.1	Low	0 Å²	0	77.1 Å²	77.1	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	101	173	-162.5	0	0	0	0	109.7	E654 C655 G656 K657 F659 L665 H668 H672	C652-E654 PolarHBondContact O-N 3.25Å; C652-C655 PolarHBondContact O-N 3.36Å; C652-G656 PolarHBondContact O-N 3.02Å; C652-K657 WeakPolarHBondContact CB-O 3.43Å; C652-K657 PolarHBondContact N-O 3.26Å; C652-F659 HydrophobicContact CB-CE2 4.45Å; C652-L665 HydrophobicContact CB-CD1 3.55Å; C652-H668 PolarHBondContact SG-CD2 3.48Å; C652-H672 VanDerWaalsContact SG-CD2 3.51Å; C652-H672 PolarHBondContact SG-NE2 3.49Å; C652-H672 VanDerWaalsContact SG-NE2 3.37Å
653	N	56.3	Low	52.5	Low	151 Å²	151	85.1 Å²	85.1	81%	0.807	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-27.3	-175.5	-57.6	23.2	0	0	0	114
654	E	53.7	Low	52.8	Low	102 Å²	102	82.3 Å²	82.3	48%	0.477	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-14.5	-178.2	-63	148	126.8	0	0	114.3	C652 H672	C652-E654 PolarHBondContact O-N 3.25Å; E654-H672 HydrophobicContact CB-CB 4.39Å; E654-H672 IonicContact OE2-CD2 3.76Å; E654-H672 PolarHBondContact OE2-CD2 2.97Å; E654-H672 VanDerWaalsContact OE2-CD2 3.31Å; E654-H672 IonicContact OE2-CG 3.18Å
655	C	52.7	Low	53.4	Low	51 Å²	51	78.7 Å²	78.7	35%	0.345	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-159	18.1	178.3	70.5	0	0	0	0	116.6	C652 K657 H668 H672	C652-C655 PolarHBondContact O-N 3.36Å; C655-K657 PolarHBondContact O-N 2.84Å; C655-H668 PolarHBondContact SG-NE2 2.75Å; C655-H672 PolarHBondContact SG-CE1 3.3Å; C655-H672 PolarHBondContact SG-NE2 3.47Å
656	G	50.3	Low	53.8	Low	39 Å²	39	77.7 Å²	77.7	40%	0.402	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	5.9	176	0	0	0	0	0	116.2	C652 V658	C652-G656 PolarHBondContact O-N 3.02Å; G656-V658 VanDerWaalsContact O-CG2 3.28Å; G656-V658 WeakPolarHBondContact O-CG2 3.31Å; G656-V658 PolarHBondContact O-N 3.36Å
657	K	48.1	Very low	54.1	Low	118 Å²	118	79 Å²	79	51%	0.513	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	119.3	-179.4	-74.1	171.6	-171.5	140.3	0	110.1	C652 C655 F659	C652-K657 WeakPolarHBondContact CB-O 3.43Å; C652-K657 PolarHBondContact N-O 3.26Å; C655-K657 PolarHBondContact O-N 2.84Å; K657-F659 HydrophobicContact CB-CE2 3.72Å; K657-F659 HydrophobicContact CB-CZ 4.08Å; K657-F659 VanDerWaalsContact O-CD2 3.23Å; K657-F659 WeakPolarHBondContact O-CD2 3.4Å; K657-F659 WeakPolarHBondContact O-CE2 3.03Å
658	V	48.4	Very low	54.8	Low	61 Å²	61	76.1 Å²	76.1	37%	0.37	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126.9	-171.4	-140.5	0	0	0	0	112.5	K648 E651 G656	K648-V658 HydrophobicContact CB-CB 3.79Å; K648-V658 HydrophobicContact CB-CG1 3.48Å; K648-V658 VanDerWaalsContact CB-CG1 3.48Å; K648-V658 HydrophobicContact CD-CB 3.95Å; K648-V658 HydrophobicContact CG-CB 4.48Å; K648-V658 WeakPolarHBondContact O-CG1 3.42Å; E651-V658 HydrophobicContact CB-CG1 3.95Å; E651-V658 HydrophobicContact CG-CG1 4.31Å; E651-V658 HydrophobicContact CG-CG2 4.43Å; G656-V658 VanDerWaalsContact O-CG2 3.28Å; G656-V658 WeakPolarHBondContact O-CG2 3.31Å; G656-V658 PolarHBondContact O-N 3.36Å
659	F	63.1	Low	55.1	Low	51 Å²	51	73.2 Å²	73.2	22%	0.224	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	150	-172.8	-62	-94.5	0	0	0	112.8	K648 Y650 C652 K657 L665 H668	K648-F659 CarbonylContact C-O 3.53Å; Y650-F659 WeakPolarHBondContact CB-O 3.45Å; Y650-F659 PolarHBondContact N-O 3.4Å; Y650-F659 PolarHBondContact O-N 3.03Å; C652-F659 HydrophobicContact CB-CE2 4.45Å; K657-F659 HydrophobicContact CB-CE2 3.72Å; K657-F659 HydrophobicContact CB-CZ 4.08Å; K657-F659 VanDerWaalsContact O-CD2 3.23Å; K657-F659 WeakPolarHBondContact O-CD2 3.4Å; K657-F659 WeakPolarHBondContact O-CE2 3.03Å; F659-L665 HydrophobicContact CB-CB 4.32Å; F659-L665 HydrophobicContact CD2-CB 4.22Å; F659-L665 HydrophobicContact CD2-CD1 3.97Å; F659-L665 HydrophobicContact CE2-CD1 4.33Å; F659-L665 HydrophobicContact CG-CB 4.4Å; F659-H668 HydrophobicContact CE1-CB 4.18Å; F659-H668 HydrophobicContact CE2-CB 3.96Å; F659-H668 AromaticContact CE2-CD2 3.21Å; F659-H668 WeakPolarHBondContact CE2-CD2 3.18Å; F659-H668 AromaticContact CE2-CG 3.72Å; F659-H668 HydrophobicContact CZ-CB 3.6Å; F659-H668 AromaticContact CZ-CD2 3.37Å; F659-H668 WeakPolarHBondContact CZ-CD2 3.28Å; F659-H668 AromaticContact CZ-CG 3.41Å; F659-H668 VanDerWaalsContact CZ-CG 3.41Å
660	I	47.5	Very low	55.4	Low	39 Å²	39	74.3 Å²	74.3	20%	0.2	37%	0.369	C	S	.	.	S	Bend	trans	-84.8	-29	175.9	-58.6	173	0	0	0	110.9	R642 L643 K648 Y650	R642-I660 HydrophobicContact CB-CG2 3.95Å; R642-I660 VanDerWaalsContact CZ-O 3.26Å; R642-I660 PolarHBondContact NH1-O 2.69Å; R642-I660 PolarHBondContact NH2-O 3.1Å; L643-I660 HydrophobicContact CD2-CD1 3.37Å; L643-I660 HydrophobicContact CG-CD1 4.03Å; K648-I660 HydrophobicContact CG-CG1 4Å; Y650-I660 WeakPolarHBondContact CD2-O 3.28Å; Y650-I660 WeakPolarHBondContact CE2-O 3.28Å
661	L	56.3	Low	55.3	Low	71 Å²	71	75.3 Å²	75.3	37%	0.372	38%	0.375	S	S	.	.	S	Bend	trans	-114	124.8	-177	-76.3	163.9	0	0	0	111.2	D639 K663 S664 L665	D639-L661 HydrophobicContact CB-CD2 4.35Å; D639-L661 WeakPolarHBondContact OD2-CD2 3.17Å; L661-K663 PolarHBondContact O-N 3.45Å; L661-K663 VanDerWaalsContact O-N 3.14Å; L661-S664 WeakPolarHBondContact O-CA 3.42Å; L661-S664 WeakPolarHBondContact O-CB 3.43Å; L661-S664 PolarHBondContact O-N 2.98Å; L661-L665 PolarHBondContact O-N 3.32Å; L661-L665 VanDerWaalsContact O-N 3.14Å
662	K	53.1	Low	55.5	Low	108 Å²	108	73.6 Å²	73.6	47%	0.47	37%	0.367	S	S	.	.	H	α-helix	trans	-57.5	-31	176.8	-172	170.7	-177.1	174.3	0	113	Y650 S664 L665 I666	Y650-K662 HydrophobicContact CD1-CB 4.09Å; Y650-K662 HydrophobicContact CD1-CG 4.31Å; Y650-K662 HydrophobicContact CD2-CB 4.08Å; Y650-K662 VanDerWaalsContact CD2-N 3.28Å; Y650-K662 HydrophobicContact CE1-CB 3.94Å; Y650-K662 HydrophobicContact CE1-CD 4.26Å; Y650-K662 HydrophobicContact CE1-CG 4.31Å; Y650-K662 HydrophobicContact CE2-CB 3.89Å; Y650-K662 HydrophobicContact CG-CB 4.17Å; K662-S664 VanDerWaalsContact C-N 3.3Å; K662-S664 PolarHBondContact O-N 3.31Å; K662-L665 PolarHBondContact O-N 2.88Å; K662-I666 HydrophobicContact CD-CD1 4.49Å; K662-I666 HydrophobicContact CG-CD1 3.97Å; K662-I666 HydrophobicContact CG-CG1 4.36Å; K662-I666 WeakPolarHBondContact O-CG1 3.3Å; K662-I666 PolarHBondContact O-N 3.18Å
663	K	52	Low	55.4	Low	184 Å²	184	77.2 Å²	77.2	80%	0.8	39%	0.39	S	S	*	.	H	α-helix	trans	-65.1	-32.2	173.7	-68.4	-177.5	179.6	176.9	0	112.8	L661 L667	L661-K663 PolarHBondContact O-N 3.45Å; L661-K663 VanDerWaalsContact O-N 3.14Å; K663-L667 VanDerWaalsContact O-CB 3.27Å; K663-L667 WeakPolarHBondContact O-CB 3.48Å; K663-L667 PolarHBondContact O-N 3.11Å
664	S	58.9	Low	55.4	Low	47 Å²	47	72.2 Å²	72.2	33%	0.329	37%	0.373	S	S	.	.	H	α-helix	trans	-75.3	-37.7	175.1	-57.4	0	0	0	0	111.5	L661 K662 L667 H668	L661-S664 WeakPolarHBondContact O-CA 3.42Å; L661-S664 WeakPolarHBondContact O-CB 3.43Å; L661-S664 PolarHBondContact O-N 2.98Å; K662-S664 VanDerWaalsContact C-N 3.3Å; K662-S664 PolarHBondContact O-N 3.31Å; S664-L667 PolarHBondContact O-N 2.79Å; S664-H668 VanDerWaalsContact O-CB 3.27Å; S664-H668 WeakPolarHBondContact O-CB 3.48Å; S664-H668 PolarHBondContact O-N 3.09Å
665	L	60.9	Low	55.1	Low	14 Å²	14	73.9 Å²	73.9	7%	0.073	38%	0.381	C	S	.	.	H	α-helix	trans	-61.4	-50.7	170.7	176.1	63.5	0	0	0	111.3	E651 C652 F659 L661 K662 L667 H668 Q669	E651-L665 WeakPolarHBondContact O-CD1 3.31Å; E651-L665 VanDerWaalsContact O-CD2 3.28Å; E651-L665 WeakPolarHBondContact O-CD2 3.45Å; C652-L665 HydrophobicContact CB-CD1 3.55Å; F659-L665 HydrophobicContact CB-CB 4.32Å; F659-L665 HydrophobicContact CD2-CB 4.22Å; F659-L665 HydrophobicContact CD2-CD1 3.97Å; F659-L665 HydrophobicContact CE2-CD1 4.33Å; F659-L665 HydrophobicContact CG-CB 4.4Å; L661-L665 PolarHBondContact O-N 3.32Å; L661-L665 VanDerWaalsContact O-N 3.14Å; K662-L665 PolarHBondContact O-N 2.88Å; L665-L667 VanDerWaalsContact C-N 3.27Å; L665-L667 PolarHBondContact O-N 3.21Å; L665-H668 CarbonylContact O-C 3.5Å; L665-H668 WeakPolarHBondContact O-CA 3.24Å; L665-H668 WeakPolarHBondContact O-CB 3.38Å; L665-H668 PolarHBondContact O-N 3.05Å; L665-Q669 HydrophobicContact CD1-CG 3.87Å; L665-Q669 HydrophobicContact CG-CG 4.21Å; L665-Q669 WeakPolarHBondContact O-CG 3.32Å; L665-Q669 PolarHBondContact O-N 3.38Å
666	I	59.9	Low	54.9	Low	71 Å²	71	76.2 Å²	76.2	36%	0.364	39%	0.39	S	S	.	.	H	α-helix	trans	-61	-37.1	178.6	-67.3	164.9	0	0	0	111.6	K662 H668 R670	K662-I666 HydrophobicContact CD-CD1 4.49Å; K662-I666 HydrophobicContact CG-CD1 3.97Å; K662-I666 HydrophobicContact CG-CG1 4.36Å; K662-I666 WeakPolarHBondContact O-CG1 3.3Å; K662-I666 PolarHBondContact O-N 3.18Å; I666-H668 VanDerWaalsContact C-N 3.29Å; I666-R670 WeakPolarHBondContact O-CG 3.31Å
667	L	56.3	Low	55.1	Low	77 Å²	77	76.6 Å²	76.6	40%	0.403	38%	0.383	S	S	.	.	H	α-helix	trans	-68.2	-30.8	174.1	-177.1	63.2	0	0	0	112	K663 S664 L665 F671 G688	K663-L667 VanDerWaalsContact O-CB 3.27Å; K663-L667 WeakPolarHBondContact O-CB 3.48Å; K663-L667 PolarHBondContact O-N 3.11Å; S664-L667 PolarHBondContact O-N 2.79Å; L665-L667 VanDerWaalsContact C-N 3.27Å; L665-L667 PolarHBondContact O-N 3.21Å; L667-F671 WeakPolarHBondContact O-CD2 3.22Å; L667-F671 VanDerWaalsContact O-CE2 3.3Å; L667-F671 WeakPolarHBondContact O-CE2 3.45Å; L667-G688 WeakPolarHBondContact CD1-O 3.45Å
668	H	61.7	Low	55.6	Low	29 Å²	29	74.7 Å²	74.7	13%	0.134	37%	0.373	C	S	.	.	H	α-helix	trans	-78.7	-43.2	179	175.2	47.5	0	0	0	113.1	C652 C655 F659 S664 L665 I666 R670 F671 H672	C652-H668 PolarHBondContact SG-CD2 3.48Å; C655-H668 PolarHBondContact SG-NE2 2.75Å; F659-H668 HydrophobicContact CE1-CB 4.18Å; F659-H668 HydrophobicContact CE2-CB 3.96Å; F659-H668 AromaticContact CE2-CD2 3.21Å; F659-H668 WeakPolarHBondContact CE2-CD2 3.18Å; F659-H668 AromaticContact CE2-CG 3.72Å; F659-H668 HydrophobicContact CZ-CB 3.6Å; F659-H668 AromaticContact CZ-CD2 3.37Å; F659-H668 WeakPolarHBondContact CZ-CD2 3.28Å; F659-H668 AromaticContact CZ-CG 3.41Å; F659-H668 VanDerWaalsContact CZ-CG 3.41Å; S664-H668 VanDerWaalsContact O-CB 3.27Å; S664-H668 WeakPolarHBondContact O-CB 3.48Å; S664-H668 PolarHBondContact O-N 3.09Å; L665-H668 CarbonylContact O-C 3.5Å; L665-H668 WeakPolarHBondContact O-CA 3.24Å; L665-H668 WeakPolarHBondContact O-CB 3.38Å; L665-H668 PolarHBondContact O-N 3.05Å; I666-H668 VanDerWaalsContact C-N 3.29Å; H668-R670 PolarHBondContact O-N 3.41Å; H668-F671 WeakPolarHBondContact O-CB 3.46Å; H668-F671 PolarHBondContact O-N 3.27Å; H668-H672 AromaticContact CD2-NE2 3.78Å; H668-H672 AromaticContact CE1-CE1 3.49Å; H668-H672 PolarHBondContact CE1-CE1 2.95Å; H668-H672 VanDerWaalsContact CE1-CE1 3.49Å; H668-H672 AromaticContact CE1-NE2 3.25Å; H668-H672 PolarHBondContact CE1-NE2 2.8Å; H668-H672 VanDerWaalsContact CE1-NE2 3.25Å; H668-H672 AromaticContact NE2-CE1 3.69Å; H668-H672 AromaticContact NE2-NE2 3.08Å; H668-H672 PolarHBondContact NE2-NE2 2.92Å
669	Q	57.8	Low	55.6	Low	62 Å²	62	77.4 Å²	77.4	29%	0.29	38%	0.382	S	S	.	.	H	α-helix	trans	-57.3	-33.5	179.1	-73	176.7	-64.6	0	0	112.3	L665 F671 H672 T673	L665-Q669 HydrophobicContact CD1-CG 3.87Å; L665-Q669 HydrophobicContact CG-CG 4.21Å; L665-Q669 WeakPolarHBondContact O-CG 3.32Å; L665-Q669 PolarHBondContact O-N 3.38Å; Q669-F671 PolarHBondContact O-N 3.08Å; Q669-F671 VanDerWaalsContact O-N 3.15Å; Q669-H672 PolarHBondContact O-N 3.33Å; Q669-T673 PolarHBondContact O-N 3.29Å; Q669-T673 VanDerWaalsContact O-N 3.1Å
670	R	64.3	Low	55.2	Low	97 Å²	97	75 Å²	75	37%	0.366	37%	0.371	S	S	.	.	H	α-helix	trans	-58.9	-23.2	173.2	-69.9	168.7	-178.2	-151	-11.6	114.5	I666 H668 H672 G674 L677	I666-R670 WeakPolarHBondContact O-CG 3.31Å; H668-R670 PolarHBondContact O-N 3.41Å; R670-H672 VanDerWaalsContact C-N 3.32Å; R670-G674 PolarHBondContact O-N 2.89Å; R670-L677 HydrophobicContact CB-CD2 4.13Å; R670-L677 WeakPolarHBondContact O-CD1 3.32Å; R670-L677 WeakPolarHBondContact O-CD2 3.21Å; R670-L677 WeakPolarHBondContact O-CG 3.48Å
671	F	54.3	Low	55.6	Low	101 Å²	101	82.5 Å²	82.5	44%	0.443	40%	0.402	S	S	.	.	H	α-helix	trans	-79.5	-13.4	174.3	-69.4	-89.5	0	0	0	113.2	L667 H668 Q669 L677	L667-F671 WeakPolarHBondContact O-CD2 3.22Å; L667-F671 VanDerWaalsContact O-CE2 3.3Å; L667-F671 WeakPolarHBondContact O-CE2 3.45Å; H668-F671 WeakPolarHBondContact O-CB 3.46Å; H668-F671 PolarHBondContact O-N 3.27Å; Q669-F671 PolarHBondContact O-N 3.08Å; Q669-F671 VanDerWaalsContact O-N 3.15Å; F671-L677 HydrophobicContact CD1-CD2 4.12Å; F671-L677 HydrophobicContact CE1-CD2 4.23Å; F671-L677 HydrophobicContact CG-CD2 4.31Å
672	H	55.1	Low	55.3	Low	72 Å²	72	83.8 Å²	83.8	33%	0.333	41%	0.41	S	S	.	.	H	α-helix	trans	-94.3	-42.8	172.2	-52.1	-50.8	0	0	0	111.1	C652 E654 C655 H668 Q669 R670 G674	C652-H672 VanDerWaalsContact SG-CD2 3.51Å; C652-H672 PolarHBondContact SG-NE2 3.49Å; C652-H672 VanDerWaalsContact SG-NE2 3.37Å; E654-H672 HydrophobicContact CB-CB 4.39Å; E654-H672 IonicContact OE2-CD2 3.76Å; E654-H672 PolarHBondContact OE2-CD2 2.97Å; E654-H672 VanDerWaalsContact OE2-CD2 3.31Å; E654-H672 IonicContact OE2-CG 3.18Å; C655-H672 PolarHBondContact SG-CE1 3.3Å; C655-H672 PolarHBondContact SG-NE2 3.47Å; H668-H672 AromaticContact CD2-NE2 3.78Å; H668-H672 AromaticContact CE1-CE1 3.49Å; H668-H672 PolarHBondContact CE1-CE1 2.95Å; H668-H672 VanDerWaalsContact CE1-CE1 3.49Å; H668-H672 AromaticContact CE1-NE2 3.25Å; H668-H672 PolarHBondContact CE1-NE2 2.8Å; H668-H672 VanDerWaalsContact CE1-NE2 3.25Å; H668-H672 AromaticContact NE2-CE1 3.69Å; H668-H672 AromaticContact NE2-NE2 3.08Å; H668-H672 PolarHBondContact NE2-NE2 2.92Å; Q669-H672 PolarHBondContact O-N 3.33Å; R670-H672 VanDerWaalsContact C-N 3.32Å; H672-G674 VanDerWaalsContact C-N 3.31Å; H672-G674 PolarHBondContact O-N 3.01Å
673	T	52.6	Low	55.3	Low	77 Å²	77	80.2 Å²	80.2	47%	0.472	40%	0.398	S	S	.	.	H	α-helix	trans	-79	-8.5	-176.7	64.6	0	0	0	0	114.4	Q669 E675	Q669-T673 PolarHBondContact O-N 3.29Å; Q669-T673 VanDerWaalsContact O-N 3.1Å; T673-E675 PolarHBondContact O-N 2.98Å
674	G	55.3	Low	55.2	Low	45 Å²	45	73.5 Å²	73.5	46%	0.464	38%	0.381	S	S	.	.			trans	70.1	-33.6	-178.7	0	0	0	0	0	115.7	R670 H672 L677	R670-G674 PolarHBondContact O-N 2.89Å; H672-G674 VanDerWaalsContact C-N 3.31Å; H672-G674 PolarHBondContact O-N 3.01Å; G674-L677 WeakPolarHBondContact O-CB 3.5Å; G674-L677 VanDerWaalsContact O-CG 3.31Å; G674-L677 WeakPolarHBondContact O-CG 3.18Å
675	E	49	Very low	54.7	Low	138 Å²	138	75.6 Å²	75.6	65%	0.645	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	140.2	-176.7	-64.7	-168.5	151.6	0	0	114.2	T673 L677	T673-E675 PolarHBondContact O-N 2.98Å; E675-L677 PolarHBondContact O-N 3.41Å
676	N	48.6	Very low	54.1	Low	99 Å²	99	77.6 Å²	77.6	53%	0.529	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	29.6	177	-67.9	-96.3	0	0	0	114.4	Y678	N676-Y678 WeakPolarHBondContact O-CD2 3.42Å; N676-Y678 WeakPolarHBondContact O-CE2 3.47Å
677	L	53.1	Low	54.1	Low	47 Å²	47	76.4 Å²	76.4	25%	0.246	39%	0.389	C	S	.	.			trans	-87.4	134.3	164.2	-66.9	-177.5	0	0	0	110.4	R670 F671 G674 E675 V686	R670-L677 HydrophobicContact CB-CD2 4.13Å; R670-L677 WeakPolarHBondContact O-CD1 3.32Å; R670-L677 WeakPolarHBondContact O-CD2 3.21Å; R670-L677 WeakPolarHBondContact O-CG 3.48Å; F671-L677 HydrophobicContact CD1-CD2 4.12Å; F671-L677 HydrophobicContact CE1-CD2 4.23Å; F671-L677 HydrophobicContact CG-CD2 4.31Å; G674-L677 WeakPolarHBondContact O-CB 3.5Å; G674-L677 VanDerWaalsContact O-CG 3.31Å; G674-L677 WeakPolarHBondContact O-CG 3.18Å; E675-L677 PolarHBondContact O-N 3.41Å; L677-V686 HydrophobicContact CB-CG1 3.54Å; L677-V686 HydrophobicContact CD1-CG1 3.7Å; L677-V686 HydrophobicContact CD2-CG1 4.13Å; L677-V686 HydrophobicContact CG-CG1 3.99Å
678	Y	58.5	Low	53.6	Low	78 Å²	78	73 Å²	73	31%	0.306	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	106.7	-177.5	-67.2	-97	0	0	0	108.9	N676 F687 N690	N676-Y678 WeakPolarHBondContact O-CD2 3.42Å; N676-Y678 WeakPolarHBondContact O-CE2 3.47Å; Y678-F687 WeakPolarHBondContact CB-O 3.28Å; Y678-F687 PolarHBondContact N-O 2.7Å; Y678-F687 PolarHBondContact O-N 2.99Å; Y678-N690 HydrophobicContact CD1-CB 3.61Å; Y678-N690 HydrophobicContact CD2-CB 4.41Å; Y678-N690 VanDerWaalsContact CD2-N 3.3Å; Y678-N690 HydrophobicContact CE1-CB 3.37Å; Y678-N690 HydrophobicContact CE2-CB 4.23Å; Y678-N690 HydrophobicContact CG-CB 4.14Å
679	E	49.2	Very low	53.4	Low	118 Å²	118	73.6 Å²	73.6	55%	0.551	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	135.1	-176.7	-174.4	175.3	177.2	0	0	112.7	K681 G684 K685 V686	E679-K681 PolarHBondContact O-N 3.39Å; E679-G684 WeakPolarHBondContact OE1-CA 3.49Å; E679-K685 WeakPolarHBondContact CA-O 3.26Å; E679-V686 HydrophobicContact CB-CG2 4.45Å; E679-V686 HydrophobicContact CG-CG2 4.21Å
680	C	55.6	Low	53.2	Low	0 Å²	0	74.1 Å²	74.1	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	108.3	173.4	-173.5	0	0	0	0	110.9	D682 C683 G684 K685 F687 L693 H700	C680-D682 PolarHBondContact O-N 3.48Å; C680-D682 VanDerWaalsContact O-N 3.12Å; C680-C683 PolarHBondContact O-N 2.79Å; C680-C683 VanDerWaalsContact O-N 3.1Å; C680-G684 PolarHBondContact O-N 3.27Å; C680-K685 HydrophobicContact CB-CB 4.48Å; C680-K685 PolarHBondContact N-O 2.67Å; C680-F687 HydrophobicContact CB-CE2 4.27Å; C680-L693 VanDerWaalsContact CA-CD1 3.46Å; C680-L693 HydrophobicContact CB-CD1 3.48Å; C680-L693 VanDerWaalsContact CB-CD1 3.48Å; C680-H700 PolarHBondContact SG-CD2 3.36Å
681	K	56.1	Low	52.8	Low	197 Å²	197	76.8 Å²	76.8	86%	0.857	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-31.6	-178.3	-63.8	-175.3	178	-176	0	113.3	E679	E679-K681 PolarHBondContact O-N 3.39Å
682	D	49.2	Very low	53	Low	99 Å²	99	76.1 Å²	76.1	53%	0.529	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-15.4	-176.8	-47.2	-53.5	0	0	0	114.2	C680 H700	C680-D682 PolarHBondContact O-N 3.48Å; C680-D682 VanDerWaalsContact O-N 3.12Å; D682-H700 HydrophobicContact CB-CB 4.38Å; D682-H700 IonicContact OD2-CD2 3.82Å
683	C	52.6	Low	53.4	Low	32 Å²	32	73.3 Å²	73.3	22%	0.216	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-155.2	19.7	-178.4	81.7	0	0	0	0	117.4	C680 K685 H696 H700	C680-C683 PolarHBondContact O-N 2.79Å; C680-C683 VanDerWaalsContact O-N 3.1Å; C683-K685 PolarHBondContact O-N 3.49Å; C683-K685 VanDerWaalsContact O-N 3.12Å; C683-K685 PolarHBondContact O-NZ 2.89Å; C683-K685 PolarHBondContact SG-NZ 3.29Å; C683-K685 VanDerWaalsContact SG-NZ 3.43Å; C683-H696 PolarHBondContact SG-NE2 3.11Å; C683-H696 VanDerWaalsContact SG-NE2 3.37Å; C683-H700 WeakPolarHBondContact CB-NE2 3.39Å; C683-H700 PolarHBondContact SG-NE2 3.36Å
684	G	50.4	Low	53.8	Low	43 Å²	43	72.6 Å²	72.6	44%	0.443	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	20.2	173.9	0	0	0	0	0	115.1	E679 C680	E679-G684 WeakPolarHBondContact OE1-CA 3.49Å; C680-G684 PolarHBondContact O-N 3.27Å
685	K	47.6	Very low	54	Low	91 Å²	91	71.6 Å²	71.6	40%	0.396	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	128.6	-174.8	-79.5	177	-166.9	64.9	0	111.8	E679 C680 C683 F687	E679-K685 WeakPolarHBondContact CA-O 3.26Å; C680-K685 HydrophobicContact CB-CB 4.48Å; C680-K685 PolarHBondContact N-O 2.67Å; C683-K685 PolarHBondContact O-N 3.49Å; C683-K685 VanDerWaalsContact O-N 3.12Å; C683-K685 PolarHBondContact O-NZ 2.89Å; C683-K685 PolarHBondContact SG-NZ 3.29Å; C683-K685 VanDerWaalsContact SG-NZ 3.43Å; K685-F687 HydrophobicContact CB-CE2 3.62Å; K685-F687 HydrophobicContact CB-CZ 3.91Å; K685-F687 WeakPolarHBondContact O-CD2 3.44Å; K685-F687 WeakPolarHBondContact O-CE2 3.48Å
686	V	48	Very low	54.6	Low	57 Å²	57	66.3 Å²	66.3	35%	0.345	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	121.9	-166.3	-172.4	0	0	0	0	110.7	L677 E679	L677-V686 HydrophobicContact CB-CG1 3.54Å; L677-V686 HydrophobicContact CD1-CG1 3.7Å; L677-V686 HydrophobicContact CD2-CG1 4.13Å; L677-V686 HydrophobicContact CG-CG1 3.99Å; E679-V686 HydrophobicContact CB-CG2 4.45Å; E679-V686 HydrophobicContact CG-CG2 4.21Å
687	F	59.8	Low	55.2	Low	45 Å²	45	64.1 Å²	64.1	20%	0.197	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	123.9	-173.3	-60.9	-89.3	0	0	0	111.4	Y678 C680 K685 S689 N692 L693 H696	Y678-F687 WeakPolarHBondContact CB-O 3.28Å; Y678-F687 PolarHBondContact N-O 2.7Å; Y678-F687 PolarHBondContact O-N 2.99Å; C680-F687 HydrophobicContact CB-CE2 4.27Å; K685-F687 HydrophobicContact CB-CE2 3.62Å; K685-F687 HydrophobicContact CB-CZ 3.91Å; K685-F687 WeakPolarHBondContact O-CD2 3.44Å; K685-F687 WeakPolarHBondContact O-CE2 3.48Å; F687-S689 PolarHBondContact O-N 2.8Å; F687-N692 HydrophobicContact CB-CB 4.4Å; F687-N692 HydrophobicContact CD1-CB 4.13Å; F687-L693 HydrophobicContact CB-CB 4.36Å; F687-L693 HydrophobicContact CD2-CB 4.2Å; F687-L693 HydrophobicContact CD2-CD1 3.95Å; F687-L693 HydrophobicContact CE2-CD1 4.26Å; F687-L693 HydrophobicContact CG-CB 4.48Å; F687-H696 HydrophobicContact CE1-CB 4.24Å; F687-H696 HydrophobicContact CE2-CB 4.11Å; F687-H696 AromaticContact CE2-CD2 3.24Å; F687-H696 WeakPolarHBondContact CE2-CD2 3.44Å; F687-H696 AromaticContact CE2-CG 3.73Å; F687-H696 AromaticContact CE2-NE2 3.81Å; F687-H696 HydrophobicContact CZ-CB 3.77Å; F687-H696 AromaticContact CZ-CD2 3.29Å; F687-H696 WeakPolarHBondContact CZ-CD2 3.37Å; F687-H696 AromaticContact CZ-CE1 4Å; F687-H696 AromaticContact CZ-CG 3.34Å; F687-H696 AromaticContact CZ-ND1 3.79Å; F687-H696 AromaticContact CZ-NE2 3.68Å
688	G	47.2	Very low	55.8	Low	7 Å²	7	64.4 Å²	64.4	7%	0.072	32%	0.32	C	S	.	.	S	Bend	trans	-69.2	17.4	177.7	0	0	0	0	0	116.6	L667	L667-G688 WeakPolarHBondContact CD1-O 3.45Å
689	S	56.3	Low	55.6	Low	41 Å²	41	65.4 Å²	65.4	29%	0.287	33%	0.33	S	S	.	.	S	Bend	trans	-164.6	129.6	171.6	65	0	0	0	0	112.8	F687 R691 N692 L693	F687-S689 PolarHBondContact O-N 2.8Å; S689-R691 VanDerWaalsContact C-N 3.28Å; S689-R691 PolarHBondContact O-N 3.3Å; S689-R691 VanDerWaalsContact O-N 3.08Å; S689-N692 PolarHBondContact O-N 3.33Å; S689-N692 PolarHBondContact OG-ND2 3.45Å; S689-L693 PolarHBondContact O-N 2.8Å
690	N	53.7	Low	55.6	Low	73 Å²	73	64.3 Å²	64.3	39%	0.39	33%	0.325	S	S	.	.	H	α-helix	trans	-45.2	-44.8	-178.5	-160.3	2	0	0	0	114.7	Y678 N692 L693 I694	Y678-N690 HydrophobicContact CD1-CB 3.61Å; Y678-N690 HydrophobicContact CD2-CB 4.41Å; Y678-N690 VanDerWaalsContact CD2-N 3.3Å; Y678-N690 HydrophobicContact CE1-CB 3.37Å; Y678-N690 HydrophobicContact CE2-CB 4.23Å; Y678-N690 HydrophobicContact CG-CB 4.14Å; N690-N692 PolarHBondContact O-N 3.4Å; N690-N692 VanDerWaalsContact O-N 3.15Å; N690-L693 WeakPolarHBondContact O-CA 3.43Å; N690-L693 WeakPolarHBondContact O-CB 3.46Å; N690-L693 PolarHBondContact O-N 3.31Å; N690-I694 PolarHBondContact O-N 3.22Å; N690-I694 WeakPolarHBondContact OD1-CD1 3.33Å
691	R	57.4	Low	55.5	Low	153 Å²	153	69.2 Å²	69.2	58%	0.577	35%	0.351	S	S	*	.	H	α-helix	trans	-58.7	-32.4	-179.3	-174.8	173.4	-174.2	141.9	12.6	113.7	S689 D695	S689-R691 VanDerWaalsContact C-N 3.28Å; S689-R691 PolarHBondContact O-N 3.3Å; S689-R691 VanDerWaalsContact O-N 3.08Å; R691-D695 WeakPolarHBondContact O-CB 3.16Å; R691-D695 PolarHBondContact O-N 2.84Å
692	N	57.5	Low	55.3	Low	87 Å²	87	61.9 Å²	61.9	47%	0.465	33%	0.331	S	S	.	.	H	α-helix	trans	-81	-24.5	177.5	-65.8	-6.7	0	0	0	112	F687 S689 N690 H696	F687-N692 HydrophobicContact CB-CB 4.4Å; F687-N692 HydrophobicContact CD1-CB 4.13Å; S689-N692 PolarHBondContact O-N 3.33Å; S689-N692 PolarHBondContact OG-ND2 3.45Å; N690-N692 PolarHBondContact O-N 3.4Å; N690-N692 VanDerWaalsContact O-N 3.15Å; N692-H696 WeakPolarHBondContact O-CB 3.31Å; N692-H696 PolarHBondContact O-N 3.24Å
693	L	62.7	Low	55.4	Low	12 Å²	12	61.4 Å²	61.4	6%	0.063	33%	0.326	C	S	.	.	H	α-helix	trans	-68.8	-51.7	168.1	172.4	62	0	0	0	109.7	C680 F687 S689 N690 D695 H696 E697	C680-L693 VanDerWaalsContact CA-CD1 3.46Å; C680-L693 HydrophobicContact CB-CD1 3.48Å; C680-L693 VanDerWaalsContact CB-CD1 3.48Å; F687-L693 HydrophobicContact CB-CB 4.36Å; F687-L693 HydrophobicContact CD2-CB 4.2Å; F687-L693 HydrophobicContact CD2-CD1 3.95Å; F687-L693 HydrophobicContact CE2-CD1 4.26Å; F687-L693 HydrophobicContact CG-CB 4.48Å; S689-L693 PolarHBondContact O-N 2.8Å; N690-L693 WeakPolarHBondContact O-CA 3.43Å; N690-L693 WeakPolarHBondContact O-CB 3.46Å; N690-L693 PolarHBondContact O-N 3.31Å; L693-D695 PolarHBondContact O-N 3.35Å; L693-H696 CarbonylContact O-C 3.6Å; L693-H696 VanDerWaalsContact O-CA 3.25Å; L693-H696 WeakPolarHBondContact O-CA 3.46Å; L693-H696 VanDerWaalsContact O-CB 3.28Å; L693-H696 WeakPolarHBondContact O-CB 3.41Å; L693-H696 PolarHBondContact O-N 3.22Å; L693-E697 HydrophobicContact CD1-CG 3.7Å; L693-E697 VanDerWaalsContact CG-CD 3.49Å; L693-E697 HydrophobicContact CG-CG 4.08Å; L693-E697 WeakPolarHBondContact CG-OE1 3.29Å; L693-E697 WeakPolarHBondContact O-CG 3.4Å; L693-E697 PolarHBondContact O-N 3.09Å
694	I	62.6	Low	55.7	Low	62 Å²	62	65 Å²	65	32%	0.318	34%	0.337	S	S	.	.	H	α-helix	trans	-63.1	-39.5	-179.8	-61.6	164.8	0	0	0	112.2	N690 H696 E697 R698	N690-I694 PolarHBondContact O-N 3.22Å; N690-I694 WeakPolarHBondContact OD1-CD1 3.33Å; I694-H696 PolarHBondContact O-N 3.32Å; I694-E697 WeakPolarHBondContact CA-OE2 3.45Å; I694-R698 WeakPolarHBondContact O-CD 3.34Å; I694-R698 WeakPolarHBondContact O-CG 3.35Å
695	D	58.4	Low	56.2	Low	25 Å²	25	66.3 Å²	66.3	13%	0.134	34%	0.338	C	S	.	.	H	α-helix	trans	-70.9	-6.9	172.1	-75.2	-14.1	0	0	0	112.6	R691 L693 R698	R691-D695 WeakPolarHBondContact O-CB 3.16Å; R691-D695 PolarHBondContact O-N 2.84Å; L693-D695 PolarHBondContact O-N 3.35Å; D695-R698 IonicContact OD1-NH1 3.87Å; D695-R698 PolarHBondContact OD1-NH1 3.3Å
696	H	63.1	Low	56.9	Low	26 Å²	26	64.8 Å²	64.8	12%	0.12	33%	0.331	C	S	.	.	H	α-helix	trans	-103	-40.2	175	174.6	70.2	0	0	0	113.8	C683 F687 N692 L693 I694 R698 L699	C683-H696 PolarHBondContact SG-NE2 3.11Å; C683-H696 VanDerWaalsContact SG-NE2 3.37Å; F687-H696 HydrophobicContact CE1-CB 4.24Å; F687-H696 HydrophobicContact CE2-CB 4.11Å; F687-H696 AromaticContact CE2-CD2 3.24Å; F687-H696 WeakPolarHBondContact CE2-CD2 3.44Å; F687-H696 AromaticContact CE2-CG 3.73Å; F687-H696 AromaticContact CE2-NE2 3.81Å; F687-H696 HydrophobicContact CZ-CB 3.77Å; F687-H696 AromaticContact CZ-CD2 3.29Å; F687-H696 WeakPolarHBondContact CZ-CD2 3.37Å; F687-H696 AromaticContact CZ-CE1 4Å; F687-H696 AromaticContact CZ-CG 3.34Å; F687-H696 AromaticContact CZ-ND1 3.79Å; F687-H696 AromaticContact CZ-NE2 3.68Å; N692-H696 WeakPolarHBondContact O-CB 3.31Å; N692-H696 PolarHBondContact O-N 3.24Å; L693-H696 CarbonylContact O-C 3.6Å; L693-H696 VanDerWaalsContact O-CA 3.25Å; L693-H696 WeakPolarHBondContact O-CA 3.46Å; L693-H696 VanDerWaalsContact O-CB 3.28Å; L693-H696 WeakPolarHBondContact O-CB 3.41Å; L693-H696 PolarHBondContact O-N 3.22Å; I694-H696 PolarHBondContact O-N 3.32Å; H696-R698 PolarHBondContact O-N 3.18Å; H696-L699 WeakPolarHBondContact O-CA 3.32Å; H696-L699 WeakPolarHBondContact O-CB 3.25Å; H696-L699 PolarHBondContact O-N 3.02Å
697	E	59.7	Low	57.1	Low	54 Å²	54	66.6 Å²	66.6	25%	0.252	34%	0.335	S	S	.	.	H	α-helix	trans	-58	-36.9	175.5	-70.7	163.6	147	0	0	111.1	L693 I694 L699 H700 N701	L693-E697 HydrophobicContact CD1-CG 3.7Å; L693-E697 VanDerWaalsContact CG-CD 3.49Å; L693-E697 HydrophobicContact CG-CG 4.08Å; L693-E697 WeakPolarHBondContact CG-OE1 3.29Å; L693-E697 WeakPolarHBondContact O-CG 3.4Å; L693-E697 PolarHBondContact O-N 3.09Å; I694-E697 WeakPolarHBondContact CA-OE2 3.45Å; E697-L699 PolarHBondContact O-N 3.15Å; E697-L699 VanDerWaalsContact O-N 3.08Å; E697-H700 WeakPolarHBondContact O-CA 3.36Å; E697-H700 WeakPolarHBondContact O-CB 3.19Å; E697-H700 PolarHBondContact O-N 2.71Å; E697-N701 PolarHBondContact O-N 2.89Å; E697-N701 VanDerWaalsContact O-N 3.1Å
698	R	66.8	Low	57.1	Low	52 Å²	52	64.5 Å²	64.5	20%	0.196	33%	0.326	C	S	.	.	H	α-helix	trans	-60	-16.6	170.6	-66.1	170.5	174.7	143.3	3.5	114.8	I694 D695 H696 G702 E703 I716	I694-R698 WeakPolarHBondContact O-CD 3.34Å; I694-R698 WeakPolarHBondContact O-CG 3.35Å; D695-R698 IonicContact OD1-NH1 3.87Å; D695-R698 PolarHBondContact OD1-NH1 3.3Å; H696-R698 PolarHBondContact O-N 3.18Å; R698-G702 PolarHBondContact O-N 3.14Å; R698-E703 HydrophobicContact CB-CB 4.27Å; R698-E703 HydrophobicContact CG-CB 4.15Å; R698-E703 PolarHBondContact O-N 2.85Å; R698-I716 HydrophobicContact CB-CG2 3.57Å
699	L	54.8	Low	57.6	Low	99 Å²	99	71.7 Å²	71.7	52%	0.518	36%	0.358	S	S	.	.	H	α-helix	trans	-78.1	-22.8	170.8	-62.4	161.7	0	0	0	112.5	H696 E697 I716	H696-L699 WeakPolarHBondContact O-CA 3.32Å; H696-L699 WeakPolarHBondContact O-CB 3.25Å; H696-L699 PolarHBondContact O-N 3.02Å; E697-L699 PolarHBondContact O-N 3.15Å; E697-L699 VanDerWaalsContact O-N 3.08Å; L699-I716 HydrophobicContact CD2-CD1 3.5Å; L699-I716 HydrophobicContact CG-CD1 4.35Å
700	H	49.1	Very low	57.5	Low	96 Å²	96	74.9 Å²	74.9	44%	0.444	37%	0.368	S	S	.	.	H	α-helix	trans	-84.5	-54.5	173.8	-58.7	-55	0	0	0	110.5	C680 D682 C683 E697 G702	C680-H700 PolarHBondContact SG-CD2 3.36Å; D682-H700 HydrophobicContact CB-CB 4.38Å; D682-H700 IonicContact OD2-CD2 3.82Å; C683-H700 WeakPolarHBondContact CB-NE2 3.39Å; C683-H700 PolarHBondContact SG-NE2 3.36Å; E697-H700 WeakPolarHBondContact O-CA 3.36Å; E697-H700 WeakPolarHBondContact O-CB 3.19Å; E697-H700 PolarHBondContact O-N 2.71Å; H700-G702 PolarHBondContact O-N 3.17Å; H700-G702 VanDerWaalsContact O-N 3.11Å
701	N	52.6	Low	57.5	Low	103 Å²	103	73.6 Å²	73.6	55%	0.551	36%	0.364	S	S	*	.	H	α-helix	trans	-64.2	-17.7	179.2	-65.2	6.3	0	0	0	113.3	E697 E703	E697-N701 PolarHBondContact O-N 2.89Å; E697-N701 VanDerWaalsContact O-N 3.1Å; N701-E703 HydrophobicContact CB-CG 4Å; N701-E703 PolarHBondContact ND2-OE1 2.94Å; N701-E703 PolarHBondContact O-N 3Å
702	G	52.1	Low	57.1	Low	42 Å²	42	68.7 Å²	68.7	43%	0.433	36%	0.361	S	S	.	.			trans	73.2	2.1	-177.1	0	0	0	0	0	114.4	R698 H700 K704	R698-G702 PolarHBondContact O-N 3.14Å; H700-G702 PolarHBondContact O-N 3.17Å; H700-G702 VanDerWaalsContact O-N 3.11Å; G702-K704 PolarHBondContact O-N 3.43Å
703	E	51.5	Low	56.8	Low	89 Å²	89	70 Å²	70	42%	0.416	36%	0.363	S	S	.	.			trans	-53.6	130.6	174.2	-76	172.2	-135.4	0	0	112	R698 N701	R698-E703 HydrophobicContact CB-CB 4.27Å; R698-E703 HydrophobicContact CG-CB 4.15Å; R698-E703 PolarHBondContact O-N 2.85Å; N701-E703 HydrophobicContact CB-CG 4Å; N701-E703 PolarHBondContact ND2-OE1 2.94Å; N701-E703 PolarHBondContact O-N 3Å
704	K	58.3	Low	56.3	Low	107 Å²	107	71.8 Å²	71.8	47%	0.465	37%	0.374	S	S	.	.			trans	-129.5	74.4	176.4	-61.6	166.5	-164.7	166.4	0	110.1	G702 Y706 T714 F715 I716	G702-K704 PolarHBondContact O-N 3.43Å; K704-Y706 PolarHBondContact O-N 3.31Å; K704-T714 WeakPolarHBondContact CD-OG1 3.49Å; K704-T714 PolarHBondContact NZ-OG1 3.41Å; K704-F715 CarbonylContact C-O 3.5Å; K704-F715 VanDerWaalsContact C-O 3.22Å; K704-F715 WeakPolarHBondContact CA-O 3.44Å; K704-I716 HydrophobicContact CG-CG1 3.8Å
705	P	61.3	Low	56.5	Low	71 Å²	71	71.2 Å²	71.2	46%	0.461	37%	0.369	S	S	.	.			trans	-66.3	0.7	-169.1	-21.3	34.4	0	0	0	115.6
706	Y	61	Low	56.2	Low	60 Å²	60	71.8 Å²	71.8	24%	0.235	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	82.3	-176.2	-52.6	-75.4	0	0	0	110	K704 F715 I716 S718 F721	K704-Y706 PolarHBondContact O-N 3.31Å; Y706-F715 WeakPolarHBondContact CB-O 3.48Å; Y706-F715 WeakPolarHBondContact CD2-O 3.08Å; Y706-F715 PolarHBondContact N-O 3.03Å; Y706-F715 PolarHBondContact O-N 2.86Å; Y706-I716 WeakPolarHBondContact CE2-O 3.42Å; Y706-S718 VanDerWaalsContact CE2-N 3.3Å; Y706-F721 HydrophobicContact CD1-CD1 4.44Å; Y706-F721 HydrophobicContact CG-CB 4.22Å; Y706-F721 HydrophobicContact CG-CG 4.42Å; Y706-F721 WeakPolarHBondContact O-CD2 3.3Å
707	E	53.2	Low	56.1	Low	95 Å²	95	74 Å²	74	44%	0.444	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	135.5	175.4	-176.3	157	-137.8	0	0	112.5	T714 F721	E707-T714 HydrophobicContact CB-CG2 3.84Å; E707-T714 HydrophobicContact CG-CG2 3.69Å; E707-T714 WeakPolarHBondContact OE1-CG2 3.23Å; E707-F721 VanDerWaalsContact O-CE2 3.24Å; E707-F721 WeakPolarHBondContact O-CE2 3.39Å
708	C	59.5	Low	55.8	Low	1 Å²	1	73 Å²	73	1%	0.007	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	98.1	171.9	-170	0	0	0	0	110.8	E710 C711 G712 K713 F721 H724 H728	C708-E710 PolarHBondContact O-N 3.42Å; C708-E710 VanDerWaalsContact O-N 3.13Å; C708-C711 CarbonylContact O-C 3.53Å; C708-C711 PolarHBondContact O-N 2.91Å; C708-G712 PolarHBondContact O-N 3.12Å; C708-K713 WeakPolarHBondContact CB-O 3.32Å; C708-K713 PolarHBondContact N-O 3.27Å; C708-F721 HydrophobicContact CB-CD2 4.48Å; C708-F721 HydrophobicContact CB-CE2 3.89Å; C708-H724 PolarHBondContact SG-NE2 2.66Å; C708-H728 PolarHBondContact SG-CD2 2.96Å; C708-H728 PolarHBondContact SG-NE2 2.7Å
709	Q	59.1	Low	55.3	Low	157 Å²	157	77.5 Å²	77.5	73%	0.734	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-34	177.9	-57.9	-57.1	-45.3	0	0	112.6	C711	Q709-C711 VanDerWaalsContact C-N 3.28Å; Q709-C711 PolarHBondContact O-N 3.33Å
710	E	52.8	Low	55.6	Low	109 Å²	109	75.4 Å²	75.4	51%	0.509	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-12.6	178.5	-63.5	163.8	-102.3	0	0	114.6	C708 H728	C708-E710 PolarHBondContact O-N 3.42Å; C708-E710 VanDerWaalsContact O-N 3.13Å; E710-H728 HydrophobicContact CB-CB 4.48Å; E710-H728 WeakPolarHBondContact OE2-CB 3.33Å; E710-H728 IonicContact OE2-CD2 2.72Å; E710-H728 IonicContact OE2-CG 3.44Å
711	C	53.9	Low	56.3	Low	46 Å²	46	72.6 Å²	72.6	31%	0.311	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.1	19.1	175.9	77.3	0	0	0	0	117	C708 Q709 K713 H724 H728	C708-C711 CarbonylContact O-C 3.53Å; C708-C711 PolarHBondContact O-N 2.91Å; Q709-C711 VanDerWaalsContact C-N 3.28Å; Q709-C711 PolarHBondContact O-N 3.33Å; C711-K713 PolarHBondContact O-N 3.17Å; C711-K713 VanDerWaalsContact SG-CG 3.58Å; C711-H724 VanDerWaalsContact SG-CE1 3.59Å; C711-H724 PolarHBondContact SG-NE2 3.28Å; C711-H728 PolarHBondContact SG-CE1 3.14Å; C711-H728 PolarHBondContact SG-NE2 3.3Å
712	G	50	Low	56.6	Low	49 Å²	49	71 Å²	71	51%	0.505	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	12.3	179.7	0	0	0	0	0	115.8	C708 T714	C708-G712 PolarHBondContact O-N 3.12Å; G712-T714 PolarHBondContact O-N 3.39Å
713	K	50.4	Low	56.9	Low	115 Å²	115	71.1 Å²	71.1	50%	0.5	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	115.8	-177.4	-72.1	-179.8	-171.6	111.4	0	110.3	C708 C711 F715	C708-K713 WeakPolarHBondContact CB-O 3.32Å; C708-K713 PolarHBondContact N-O 3.27Å; C711-K713 PolarHBondContact O-N 3.17Å; C711-K713 VanDerWaalsContact SG-CG 3.58Å; K713-F715 HydrophobicContact CB-CE2 3.63Å; K713-F715 HydrophobicContact CB-CZ 4.08Å; K713-F715 VanDerWaalsContact O-CD2 3.24Å; K713-F715 WeakPolarHBondContact O-CD2 3.41Å; K713-F715 VanDerWaalsContact O-CE2 3.23Å; K713-F715 WeakPolarHBondContact O-CE2 3.47Å
714	T	52.2	Low	57.4	Low	50 Å²	50	67.7 Å²	67.7	31%	0.307	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	130.4	-174.3	40.9	0	0	0	0	111.2	K704 E707 G712	K704-T714 WeakPolarHBondContact CD-OG1 3.49Å; K704-T714 PolarHBondContact NZ-OG1 3.41Å; E707-T714 HydrophobicContact CB-CG2 3.84Å; E707-T714 HydrophobicContact CG-CG2 3.69Å; E707-T714 WeakPolarHBondContact OE1-CG2 3.23Å; G712-T714 PolarHBondContact O-N 3.39Å
715	F	67.2	Low	57.5	Low	49 Å²	49	66.2 Å²	66.2	22%	0.215	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	145.7	-174.1	-64.3	-96.2	0	0	0	112.6	K704 Y706 K713 F721 H724	K704-F715 CarbonylContact C-O 3.5Å; K704-F715 VanDerWaalsContact C-O 3.22Å; K704-F715 WeakPolarHBondContact CA-O 3.44Å; Y706-F715 WeakPolarHBondContact CB-O 3.48Å; Y706-F715 WeakPolarHBondContact CD2-O 3.08Å; Y706-F715 PolarHBondContact N-O 3.03Å; Y706-F715 PolarHBondContact O-N 2.86Å; K713-F715 HydrophobicContact CB-CE2 3.63Å; K713-F715 HydrophobicContact CB-CZ 4.08Å; K713-F715 VanDerWaalsContact O-CD2 3.24Å; K713-F715 WeakPolarHBondContact O-CD2 3.41Å; K713-F715 VanDerWaalsContact O-CE2 3.23Å; K713-F715 WeakPolarHBondContact O-CE2 3.47Å; F715-F721 HydrophobicContact CB-CB 4.08Å; F715-F721 HydrophobicContact CD2-CB 4.5Å; F715-F721 HydrophobicContact CD2-CD2 4.07Å; F715-F721 HydrophobicContact CG-CB 4.36Å; F715-H724 HydrophobicContact CE1-CB 4.05Å; F715-H724 HydrophobicContact CE2-CB 3.9Å; F715-H724 AromaticContact CE2-CD2 3.15Å; F715-H724 WeakPolarHBondContact CE2-CD2 3.24Å; F715-H724 AromaticContact CE2-CG 3.47Å; F715-H724 VanDerWaalsContact CE2-CG 3.47Å; F715-H724 AromaticContact CE2-NE2 3.74Å; F715-H724 HydrophobicContact CZ-CB 3.55Å; F715-H724 AromaticContact CZ-CD2 3.5Å; F715-H724 AromaticContact CZ-CG 3.27Å; F715-H724 AromaticContact CZ-ND1 3.74Å
716	I	52.1	Low	57.5	Low	37 Å²	37	68.2 Å²	68.2	19%	0.19	35%	0.346	C	S	.	.	S	Bend	trans	-83.2	-31.9	-180	-57.6	-179.3	0	0	0	111.5	R698 L699 K704 Y706	R698-I716 HydrophobicContact CB-CG2 3.57Å; L699-I716 HydrophobicContact CD2-CD1 3.5Å; L699-I716 HydrophobicContact CG-CD1 4.35Å; K704-I716 HydrophobicContact CG-CG1 3.8Å; Y706-I716 WeakPolarHBondContact CE2-O 3.42Å
717	M	59.9	Low	57.3	Low	74 Å²	74	67.8 Å²	67.8	37%	0.365	35%	0.347	S	S	.	.			trans	-114.6	125.2	-175.8	-61.5	177.2	76.8	0	0	112.1	K719 S720 F721	M717-K719 PolarHBondContact O-N 3.02Å; M717-K719 VanDerWaalsContact O-N 3.09Å; M717-S720 WeakPolarHBondContact O-CB 3.49Å; M717-S720 PolarHBondContact O-N 3.37Å; M717-F721 PolarHBondContact O-N 3.2Å
718	S	54.9	Low	57.5	Low	31 Å²	31	65.9 Å²	65.9	22%	0.217	34%	0.338	C	S	.	.	H	α-helix	trans	-50.6	-35.1	173.4	177.5	0	0	0	0	113.8	Y706 M722	Y706-S718 VanDerWaalsContact CE2-N 3.3Å; S718-M722 WeakPolarHBondContact O-CB 3.41Å; S718-M722 PolarHBondContact O-N 3.5Å
719	K	55.8	Low	57.3	Low	148 Å²	148	68.9 Å²	68.9	64%	0.643	36%	0.357	S	S	*	.	H	α-helix	trans	-66.3	-40.4	176.5	-70	177.3	-176.2	167	0	112.4	M717 V723	M717-K719 PolarHBondContact O-N 3.02Å; M717-K719 VanDerWaalsContact O-N 3.09Å; K719-V723 WeakPolarHBondContact O-CB 3.4Å; K719-V723 WeakPolarHBondContact O-CG2 3.41Å; K719-V723 PolarHBondContact O-N 3.19Å
720	S	60.5	Low	57	Low	55 Å²	55	69.2 Å²	69.2	39%	0.385	36%	0.358	S	S	.	.	H	α-helix	trans	-71.6	-41.2	178.5	-55.1	0	0	0	0	110.6	M717 V723 H724	M717-S720 WeakPolarHBondContact O-CB 3.49Å; M717-S720 PolarHBondContact O-N 3.37Å; S720-V723 PolarHBondContact O-N 3.11Å; S720-H724 WeakPolarHBondContact O-CB 3.29Å; S720-H724 PolarHBondContact O-N 2.8Å
721	F	64.5	Low	56.6	Low	36 Å²	36	70.1 Å²	70.1	16%	0.158	36%	0.363	C	S	.	.	H	α-helix	trans	-58.3	-52.4	171.9	175.8	-108.8	0	0	0	112.7	Y706 E707 C708 F715 M717 V723 H724 Q725	Y706-F721 HydrophobicContact CD1-CD1 4.44Å; Y706-F721 HydrophobicContact CG-CB 4.22Å; Y706-F721 HydrophobicContact CG-CG 4.42Å; Y706-F721 WeakPolarHBondContact O-CD2 3.3Å; E707-F721 VanDerWaalsContact O-CE2 3.24Å; E707-F721 WeakPolarHBondContact O-CE2 3.39Å; C708-F721 HydrophobicContact CB-CD2 4.48Å; C708-F721 HydrophobicContact CB-CE2 3.89Å; F715-F721 HydrophobicContact CB-CB 4.08Å; F715-F721 HydrophobicContact CD2-CB 4.5Å; F715-F721 HydrophobicContact CD2-CD2 4.07Å; F715-F721 HydrophobicContact CG-CB 4.36Å; M717-F721 PolarHBondContact O-N 3.2Å; F721-V723 PolarHBondContact O-N 3.25Å; F721-V723 VanDerWaalsContact O-N 3.11Å; F721-H724 CarbonylContact O-C 3.18Å; F721-H724 WeakPolarHBondContact O-CA 3.34Å; F721-H724 WeakPolarHBondContact O-CB 3.4Å; F721-H724 PolarHBondContact O-N 2.87Å; F721-Q725 PolarHBondContact O-N 2.8Å
722	M	58.1	Low	56.4	Low	71 Å²	71	72.5 Å²	72.5	35%	0.35	37%	0.367	S	S	.	.	H	α-helix	trans	-66	-14.2	178.6	-170.6	-178.2	-61.8	0	0	113.7	K601 S718 K726	K601-M722 PolarHBondContact NZ-SD 2.91Å; S718-M722 WeakPolarHBondContact O-CB 3.41Å; S718-M722 PolarHBondContact O-N 3.5Å; M722-K726 WeakPolarHBondContact O-CD 3.37Å; M722-K726 WeakPolarHBondContact O-CG 3.35Å
723	V	57.7	Low	56.7	Low	43 Å²	43	71 Å²	71	26%	0.261	35%	0.35	S	S	.	.	H	α-helix	trans	-90.9	-29.3	170.6	165.8	0	0	0	0	111.5	K719 S720 F721	K719-V723 WeakPolarHBondContact O-CB 3.4Å; K719-V723 WeakPolarHBondContact O-CG2 3.41Å; K719-V723 PolarHBondContact O-N 3.19Å; S720-V723 PolarHBondContact O-N 3.11Å; F721-V723 PolarHBondContact O-N 3.25Å; F721-V723 VanDerWaalsContact O-N 3.11Å
724	H	62.8	Low	57.4	Low	18 Å²	18	67.8 Å²	67.8	8%	0.083	34%	0.336	C	S	.	.	H	α-helix	trans	-77.7	-42.4	175	169.7	65.2	0	0	0	113.1	C708 C711 F715 S720 F721 K726 L727 H728	C708-H724 PolarHBondContact SG-NE2 2.66Å; C711-H724 VanDerWaalsContact SG-CE1 3.59Å; C711-H724 PolarHBondContact SG-NE2 3.28Å; F715-H724 HydrophobicContact CE1-CB 4.05Å; F715-H724 HydrophobicContact CE2-CB 3.9Å; F715-H724 AromaticContact CE2-CD2 3.15Å; F715-H724 WeakPolarHBondContact CE2-CD2 3.24Å; F715-H724 AromaticContact CE2-CG 3.47Å; F715-H724 VanDerWaalsContact CE2-CG 3.47Å; F715-H724 AromaticContact CE2-NE2 3.74Å; F715-H724 HydrophobicContact CZ-CB 3.55Å; F715-H724 AromaticContact CZ-CD2 3.5Å; F715-H724 AromaticContact CZ-CG 3.27Å; F715-H724 AromaticContact CZ-ND1 3.74Å; S720-H724 WeakPolarHBondContact O-CB 3.29Å; S720-H724 PolarHBondContact O-N 2.8Å; F721-H724 CarbonylContact O-C 3.18Å; F721-H724 WeakPolarHBondContact O-CA 3.34Å; F721-H724 WeakPolarHBondContact O-CB 3.4Å; F721-H724 PolarHBondContact O-N 2.87Å; H724-K726 PolarHBondContact O-N 2.82Å; H724-K726 VanDerWaalsContact O-N 3.1Å; H724-L727 WeakPolarHBondContact O-CB 3.41Å; H724-L727 WeakPolarHBondContact O-CG 3.17Å; H724-L727 PolarHBondContact O-N 3.21Å; H724-H728 AromaticContact CD2-NE2 3.94Å; H724-H728 AromaticContact CE1-CE1 3.54Å; H724-H728 AromaticContact CE1-NE2 3.3Å; H724-H728 PolarHBondContact CE1-NE2 3.05Å; H724-H728 VanDerWaalsContact CE1-NE2 3.3Å; H724-H728 AromaticContact NE2-CE1 3.77Å; H724-H728 AromaticContact NE2-NE2 3.07Å; H724-H728 PolarHBondContact NE2-NE2 2.9Å
725	Q	60.1	Low	57.5	Low	76 Å²	76	70.2 Å²	70.2	36%	0.355	34%	0.342	S	S	.	.	H	α-helix	trans	-59	-24.2	176.4	-165.4	178.3	19	0	0	112.3	F721 L727 H728 T729	F721-Q725 PolarHBondContact O-N 2.8Å; Q725-L727 PolarHBondContact O-N 2.79Å; Q725-H728 PolarHBondContact O-N 3.39Å; Q725-T729 PolarHBondContact O-N 3.38Å; Q725-T729 PolarHBondContact O-OG1 3.15Å
726	K	61.8	Low	57.2	Low	113 Å²	113	68 Å²	68	49%	0.491	33%	0.332	S	S	.	.	H	α-helix	trans	-77.2	4.8	171.5	-69	-178.7	176.9	-166.4	0	115.1	M722 H724 T729 A733	M722-K726 WeakPolarHBondContact O-CD 3.37Å; M722-K726 WeakPolarHBondContact O-CG 3.35Å; H724-K726 PolarHBondContact O-N 2.82Å; H724-K726 VanDerWaalsContact O-N 3.1Å; K726-T729 WeakPolarHBondContact CA-OG1 3.37Å; K726-A733 WeakPolarHBondContact O-CA 3.35Å; K726-A733 WeakPolarHBondContact O-CB 3.3Å
727	L	55.8	Low	57.8	Low	50 Å²	50	73 Å²	73	26%	0.262	36%	0.355	S	S	.	.	H	α-helix	trans	-96.5	-27.4	172.1	-57.1	175.9	0	0	0	111.6	H724 Q725 A742	H724-L727 WeakPolarHBondContact O-CB 3.41Å; H724-L727 WeakPolarHBondContact O-CG 3.17Å; H724-L727 PolarHBondContact O-N 3.21Å; Q725-L727 PolarHBondContact O-N 2.79Å; L727-A742 HydrophobicContact CD2-CB 4.15Å
728	H	58.1	Low	57.7	Low	55 Å²	55	73.6 Å²	73.6	26%	0.255	36%	0.359	S	S	.	.	H	α-helix	trans	-91.1	-49	178.7	-48.1	-45.8	0	0	0	111.6	C708 E710 C711 H724 Q725 Q730	C708-H728 PolarHBondContact SG-CD2 2.96Å; C708-H728 PolarHBondContact SG-NE2 2.7Å; E710-H728 HydrophobicContact CB-CB 4.48Å; E710-H728 WeakPolarHBondContact OE2-CB 3.33Å; E710-H728 IonicContact OE2-CD2 2.72Å; E710-H728 IonicContact OE2-CG 3.44Å; C711-H728 PolarHBondContact SG-CE1 3.14Å; C711-H728 PolarHBondContact SG-NE2 3.3Å; H724-H728 AromaticContact CD2-NE2 3.94Å; H724-H728 AromaticContact CE1-CE1 3.54Å; H724-H728 AromaticContact CE1-NE2 3.3Å; H724-H728 PolarHBondContact CE1-NE2 3.05Å; H724-H728 VanDerWaalsContact CE1-NE2 3.3Å; H724-H728 AromaticContact NE2-CE1 3.77Å; H724-H728 AromaticContact NE2-NE2 3.07Å; H724-H728 PolarHBondContact NE2-NE2 2.9Å; Q725-H728 PolarHBondContact O-N 3.39Å; H728-Q730 PolarHBondContact O-N 2.8Å
729	T	55.9	Low	57.8	Low	64 Å²	64	74.3 Å²	74.3	39%	0.393	36%	0.364	S	S	.	.	S	Bend	trans	-56.9	110.7	171.8	43.9	0	0	0	0	110	Q725 K726 E731	Q725-T729 PolarHBondContact O-N 3.38Å; Q725-T729 PolarHBondContact O-OG1 3.15Å; K726-T729 WeakPolarHBondContact CA-OG1 3.37Å; T729-E731 PolarHBondContact O-N 2.91Å; T729-E731 VanDerWaalsContact O-N 3.16Å
730	Q	51.8	Low	57.8	Low	165 Å²	165	69.9 Å²	69.9	77%	0.771	36%	0.36	S	S	*	.	S	Bend	trans	-66.7	-20.4	-168.6	-64.9	-172.4	-7.1	0	0	113.4	H728 K732	H728-Q730 PolarHBondContact O-N 2.8Å; Q730-K732 PolarHBondContact O-N 3.41Å
731	E	45.8	Very low	57.6	Low	128 Å²	128	73.1 Å²	73.1	60%	0.598	37%	0.367	S	S	*	.	S	Bend	trans	-65.5	90.7	165.7	-83.9	-142.9	170.2	0	0	111.6	K598 T729	K598-E731 IonicContact NZ-OE1 3.19Å; K598-E731 PolarHBondContact NZ-OE1 3.37Å; K598-E731 IonicContact NZ-OE2 3.06Å; K598-E731 PolarHBondContact NZ-OE2 3.01Å; T729-E731 PolarHBondContact O-N 2.91Å; T729-E731 VanDerWaalsContact O-N 3.16Å
732	K	48.9	Very low	57.3	Low	95 Å²	95	73.2 Å²	73.2	41%	0.413	38%	0.375	S	S	.	.	S	Bend	trans	85.8	32.9	160.9	-47.9	169.8	-177.4	176.3	0	117.8	H616 Q730	H616-K732 PolarHBondContact O-NZ 2.84Å; Q730-K732 PolarHBondContact O-N 3.41Å
733	A	56.6	Low	57.6	Low	18 Å²	18	72 Å²	72	15%	0.149	37%	0.368	C	S	.	.			trans	-67.7	133.4	149.4	0	0	0	0	0	109.8	K726 K735 A742	K726-A733 WeakPolarHBondContact O-CA 3.35Å; K726-A733 WeakPolarHBondContact O-CB 3.3Å; A733-K735 HydrophobicContact CB-CG 4.47Å; A733-K735 PolarHBondContact O-N 2.79Å; A733-K735 VanDerWaalsContact O-N 3.14Å; A733-A742 HydrophobicContact CB-CB 4.37Å
734	Y	64.4	Low	57.3	Low	48 Å²	48	72.3 Å²	72.3	19%	0.188	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	86	176.7	-68.3	-87	0	0	0	109.8	R618 F743 N746 L749	R618-Y734 PolarHBondContact NE-OH 2.85Å; R618-Y734 PolarHBondContact NH2-OH 3.15Å; R618-Y734 VanDerWaalsContact NH2-OH 3.13Å; Y734-F743 WeakPolarHBondContact CB-O 3.2Å; Y734-F743 PolarHBondContact N-O 3.3Å; Y734-F743 PolarHBondContact O-N 2.96Å; Y734-N746 HydrophobicContact CD1-CB 3.64Å; Y734-N746 WeakPolarHBondContact CD1-OD1 3.44Å; Y734-N746 HydrophobicContact CE1-CB 3.41Å; Y734-N746 VanDerWaalsContact CE1-CB 3.41Å; Y734-N746 WeakPolarHBondContact CE1-OD1 3.45Å; Y734-N746 HydrophobicContact CE2-CB 4.33Å; Y734-N746 HydrophobicContact CG-CB 4.21Å; Y734-L749 HydrophobicContact CD1-CD2 4.47Å
735	K	54.6	Low	57.1	Low	101 Å²	101	77.8 Å²	77.8	44%	0.439	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	144.4	179.3	-62.8	-177.2	-179.2	-179.7	0	111.9	A733 A742 L749	A733-K735 HydrophobicContact CB-CG 4.47Å; A733-K735 PolarHBondContact O-N 2.79Å; A733-K735 VanDerWaalsContact O-N 3.14Å; K735-A742 HydrophobicContact CG-CB 4.22Å; K735-L749 WeakPolarHBondContact O-CD1 3.32Å; K735-L749 VanDerWaalsContact O-CD2 3.24Å; K735-L749 WeakPolarHBondContact O-CD2 3.38Å
736	C	62.1	Low	57	Low	1 Å²	1	77.5 Å²	77.5	1%	0.007	39%	0.393	C	S	.	.			trans	-86.9	120.6	163.8	-138.9	0	0	0	0	107.8	D738 G740 K741 L749 H752 R753 H756	C736-D738 VanDerWaalsContact C-N 3.33Å; C736-D738 PolarHBondContact SG-OD2 2.51Å; C736-G740 VanDerWaalsContact O-CA 3.28Å; C736-G740 WeakPolarHBondContact O-CA 3.23Å; C736-G740 PolarHBondContact O-N 1.84Å; C736-K741 PolarHBondContact N-O 3.37Å; C736-L749 HydrophobicContact CB-CD1 3.71Å; C736-H752 PolarHBondContact SG-CD2 3.44Å; C736-R753 VanDerWaalsContact SG-CG 3.53Å; C736-H756 VanDerWaalsContact SG-CD2 3.58Å; C736-H756 PolarHBondContact SG-NE2 3.28Å
737	E	64.1	Low	56.8	Low	144 Å²	144	75.9 Å²	75.9	67%	0.673	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-60.3	-48.5	172.6	-75.9	102	-126.4	0	0	109.8	C739 R753	E737-C739 PolarHBondContact O-N 3.36Å; E737-R753 IonicContact OE1-CZ 3.61Å; E737-R753 IonicContact OE1-NH2 2.65Å; E737-R753 PolarHBondContact OE1-NH2 2.92Å; E737-R753 IonicContact OE2-CZ 3.57Å; E737-R753 IonicContact OE2-NH1 2.88Å; E737-R753 PolarHBondContact OE2-NH1 3.23Å; E737-R753 IonicContact OE2-NH2 2.71Å; E737-R753 PolarHBondContact OE2-NH2 3.05Å
738	D	56.5	Low	57.2	Low	85 Å²	85	75.8 Å²	75.8	46%	0.455	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-58.9	-12.7	-174.8	-13.5	-68.6	0	0	0	115.8	C736 H756	C736-D738 VanDerWaalsContact C-N 3.33Å; C736-D738 PolarHBondContact SG-OD2 2.51Å; D738-H756 HydrophobicContact CB-CB 4.16Å; D738-H756 IonicContact OD2-CD2 3.83Å; D738-H756 PolarHBondContact OD2-CD2 2.7Å; D738-H756 IonicContact OD2-CG 3.21Å; D738-H756 IonicContact OD2-NE2 2.69Å
739	C	58.5	Low	57.7	Low	47 Å²	47	73.6 Å²	73.6	32%	0.318	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-158.1	11.7	179.9	76.9	0	0	0	0	116.1	E737 K741 H752 H756	E737-C739 PolarHBondContact O-N 3.36Å; C739-K741 PolarHBondContact O-N 2.62Å; C739-H752 PolarHBondContact SG-NE2 3.32Å; C739-H756 PolarHBondContact SG-NE2 3.49Å; C739-H756 VanDerWaalsContact SG-NE2 3.4Å
740	G	55.2	Low	58.1	Low	55 Å²	55	74.8 Å²	74.8	57%	0.567	39%	0.394	S	S	*	.			trans	67.6	-10.1	-179.6	0	0	0	0	0	117.1	C736 A742	C736-G740 VanDerWaalsContact O-CA 3.28Å; C736-G740 WeakPolarHBondContact O-CA 3.23Å; C736-G740 PolarHBondContact O-N 1.84Å; G740-A742 PolarHBondContact O-N 2.99Å
741	K	57	Low	58.5	Low	122 Å²	122	69.5 Å²	69.5	53%	0.53	37%	0.372	S	S	.	.			trans	-66.1	124	-172.4	-71.2	171	-172.5	155	0	111.9	C736 C739 F743	C736-K741 PolarHBondContact N-O 3.37Å; C739-K741 PolarHBondContact O-N 2.62Å; K741-F743 HydrophobicContact CB-CE2 3.69Å; K741-F743 HydrophobicContact CB-CZ 4.05Å; K741-F743 WeakPolarHBondContact O-CD2 3.26Å; K741-F743 VanDerWaalsContact O-CE2 3.31Å; K741-F743 WeakPolarHBondContact O-CE2 3.33Å
742	A	56.6	Low	59.6	Low	38 Å²	38	64.3 Å²	64.3	31%	0.314	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	130.5	179.2	0	0	0	0	0	112.1	L727 A733 K735 G740	L727-A742 HydrophobicContact CD2-CB 4.15Å; A733-A742 HydrophobicContact CB-CB 4.37Å; K735-A742 HydrophobicContact CG-CB 4.22Å; G740-A742 PolarHBondContact O-N 2.99Å
743	F	64.9	Low	60.3	Low	47 Å²	47	62.9 Å²	62.9	21%	0.206	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	144.9	178.6	-63.7	-91.1	0	0	0	111.9	Y734 K741 Y745 L749 H752	Y734-F743 WeakPolarHBondContact CB-O 3.2Å; Y734-F743 PolarHBondContact N-O 3.3Å; Y734-F743 PolarHBondContact O-N 2.96Å; K741-F743 HydrophobicContact CB-CE2 3.69Å; K741-F743 HydrophobicContact CB-CZ 4.05Å; K741-F743 WeakPolarHBondContact O-CD2 3.26Å; K741-F743 VanDerWaalsContact O-CE2 3.31Å; K741-F743 WeakPolarHBondContact O-CE2 3.33Å; F743-Y745 VanDerWaalsContact C-N 3.29Å; F743-Y745 PolarHBondContact O-N 3.28Å; F743-L749 HydrophobicContact CB-CB 4.24Å; F743-L749 HydrophobicContact CD2-CB 4.17Å; F743-L749 HydrophobicContact CD2-CD1 3.94Å; F743-L749 HydrophobicContact CE2-CD1 4.33Å; F743-L749 HydrophobicContact CG-CB 4.37Å; F743-H752 HydrophobicContact CE1-CB 4.09Å; F743-H752 HydrophobicContact CE2-CB 3.9Å; F743-H752 AromaticContact CE2-CD2 3.21Å; F743-H752 WeakPolarHBondContact CE2-CD2 3.19Å; F743-H752 AromaticContact CE2-CG 3.62Å; F743-H752 HydrophobicContact CZ-CB 3.59Å; F743-H752 AromaticContact CZ-CD2 3.3Å; F743-H752 WeakPolarHBondContact CZ-CD2 3.37Å; F743-H752 AromaticContact CZ-CG 3.28Å; F743-H752 AromaticContact CZ-ND1 3.92Å; F743-H752 AromaticContact CZ-NE2 3.93Å
744	S	52.4	Low	61	Low	49 Å²	49	65 Å²	65	34%	0.343	34%	0.344	S	S	.	.	S	Bend	trans	-73.2	-16.9	178.1	42.3	0	0	0	0	114.7
745	Y	57.8	Low	60.7	Low	133 Å²	133	68.2 Å²	68.2	52%	0.522	36%	0.364	S	S	.	.	S	Bend	trans	-142.8	138.2	-176.2	-58.5	-74.7	0	0	0	111	F743 S747 S748 L749	F743-Y745 VanDerWaalsContact C-N 3.29Å; F743-Y745 PolarHBondContact O-N 3.28Å; Y745-S747 PolarHBondContact O-N 3.24Å; Y745-S748 WeakPolarHBondContact O-CB 3.36Å; Y745-S748 PolarHBondContact O-N 2.9Å; Y745-L749 PolarHBondContact O-N 3.4Å
746	N	57.5	Low	60.9	Low	69 Å²	69	67 Å²	67	37%	0.369	36%	0.359	S	S	.	.	H	α-helix	trans	-57.3	-37.3	178.8	-158.7	34.4	0	0	0	112.7	Y734 S748 L749 L750	Y734-N746 HydrophobicContact CD1-CB 3.64Å; Y734-N746 WeakPolarHBondContact CD1-OD1 3.44Å; Y734-N746 HydrophobicContact CE1-CB 3.41Å; Y734-N746 VanDerWaalsContact CE1-CB 3.41Å; Y734-N746 WeakPolarHBondContact CE1-OD1 3.45Å; Y734-N746 HydrophobicContact CE2-CB 4.33Å; Y734-N746 HydrophobicContact CG-CB 4.21Å; N746-S748 PolarHBondContact O-N 3.44Å; N746-L749 PolarHBondContact O-N 2.99Å; N746-L750 WeakPolarHBondContact O-CB 3.38Å; N746-L750 VanDerWaalsContact O-CG 3.32Å; N746-L750 WeakPolarHBondContact O-CG 3.25Å; N746-L750 PolarHBondContact O-N 2.99Å
747	S	58.4	Low	60.8	Low	79 Å²	79	70.9 Å²	70.9	55%	0.552	38%	0.383	S	S	*	.	H	α-helix	trans	-60.8	-29.6	176.2	50.8	0	0	0	0	113.3	Y745 V751	Y745-S747 PolarHBondContact O-N 3.24Å; S747-V751 WeakPolarHBondContact O-CG2 3.4Å; S747-V751 PolarHBondContact O-N 3.07Å
748	S	65.1	Low	60.5	Low	48 Å²	48	66 Å²	66	34%	0.336	37%	0.371	S	S	.	.	H	α-helix	trans	-79.7	-37.9	175.9	-59.6	0	0	0	0	111.4	Y745 N746 H752	Y745-S748 WeakPolarHBondContact O-CB 3.36Å; Y745-S748 PolarHBondContact O-N 2.9Å; N746-S748 PolarHBondContact O-N 3.44Å; S748-H752 VanDerWaalsContact O-CB 3.27Å; S748-H752 WeakPolarHBondContact O-CB 3.27Å; S748-H752 PolarHBondContact O-N 3.07Å
749	L	67.3	Low	60.6	Low	9 Å²	9	66.5 Å²	66.5	5%	0.047	37%	0.371	C	S	.	.	H	α-helix	trans	-62.6	-46.7	170.5	174.4	63	0	0	0	111.7	Y734 K735 C736 F743 Y745 N746 V751 H752 R753	Y734-L749 HydrophobicContact CD1-CD2 4.47Å; K735-L749 WeakPolarHBondContact O-CD1 3.32Å; K735-L749 VanDerWaalsContact O-CD2 3.24Å; K735-L749 WeakPolarHBondContact O-CD2 3.38Å; C736-L749 HydrophobicContact CB-CD1 3.71Å; F743-L749 HydrophobicContact CB-CB 4.24Å; F743-L749 HydrophobicContact CD2-CB 4.17Å; F743-L749 HydrophobicContact CD2-CD1 3.94Å; F743-L749 HydrophobicContact CE2-CD1 4.33Å; F743-L749 HydrophobicContact CG-CB 4.37Å; Y745-L749 PolarHBondContact O-N 3.4Å; N746-L749 PolarHBondContact O-N 2.99Å; L749-V751 PolarHBondContact O-N 3.49Å; L749-H752 CarbonylContact O-C 3.48Å; L749-H752 WeakPolarHBondContact O-CA 3.35Å; L749-H752 WeakPolarHBondContact O-CB 3.37Å; L749-H752 PolarHBondContact O-N 3.13Å; L749-R753 HydrophobicContact CD1-CG 4.07Å; L749-R753 HydrophobicContact CG-CG 4.42Å; L749-R753 PolarHBondContact O-N 3.04Å
750	L	64.6	Low	60.9	Low	90 Å²	90	69.8 Å²	69.8	47%	0.471	38%	0.379	S	S	.	.	H	α-helix	trans	-64.7	-38.7	-178.2	-69.5	171.8	0	0	0	112.3	N746 H752 R754	N746-L750 WeakPolarHBondContact O-CB 3.38Å; N746-L750 VanDerWaalsContact O-CG 3.32Å; N746-L750 WeakPolarHBondContact O-CG 3.25Å; N746-L750 PolarHBondContact O-N 2.99Å; L750-H752 PolarHBondContact O-N 3.44Å; L750-R754 WeakPolarHBondContact O-CG 3.34Å
751	V	61.4	Low	61.5	Low	53 Å²	53	70.4 Å²	70.4	32%	0.321	37%	0.374	S	S	.	.	H	α-helix	trans	-71.1	-20.2	171.7	173.5	0	0	0	0	111.9	S747 L749	S747-V751 WeakPolarHBondContact O-CG2 3.4Å; S747-V751 PolarHBondContact O-N 3.07Å; L749-V751 PolarHBondContact O-N 3.49Å
752	H	67.4	Low	62	Low	20 Å²	20	67.6 Å²	67.6	9%	0.093	36%	0.361	C	S	.	.	H	α-helix	trans	-84.4	-40.1	174.6	-178	55	0	0	0	114	C736 C739 F743 S748 L749 L750 R754 I755 H756	C736-H752 PolarHBondContact SG-CD2 3.44Å; C739-H752 PolarHBondContact SG-NE2 3.32Å; F743-H752 HydrophobicContact CE1-CB 4.09Å; F743-H752 HydrophobicContact CE2-CB 3.9Å; F743-H752 AromaticContact CE2-CD2 3.21Å; F743-H752 WeakPolarHBondContact CE2-CD2 3.19Å; F743-H752 AromaticContact CE2-CG 3.62Å; F743-H752 HydrophobicContact CZ-CB 3.59Å; F743-H752 AromaticContact CZ-CD2 3.3Å; F743-H752 WeakPolarHBondContact CZ-CD2 3.37Å; F743-H752 AromaticContact CZ-CG 3.28Å; F743-H752 AromaticContact CZ-ND1 3.92Å; F743-H752 AromaticContact CZ-NE2 3.93Å; S748-H752 VanDerWaalsContact O-CB 3.27Å; S748-H752 WeakPolarHBondContact O-CB 3.27Å; S748-H752 PolarHBondContact O-N 3.07Å; L749-H752 CarbonylContact O-C 3.48Å; L749-H752 WeakPolarHBondContact O-CA 3.35Å; L749-H752 WeakPolarHBondContact O-CB 3.37Å; L749-H752 PolarHBondContact O-N 3.13Å; L750-H752 PolarHBondContact O-N 3.44Å; H752-R754 PolarHBondContact O-N 3.21Å; H752-I755 VanDerWaalsContact O-CB 3.24Å; H752-I755 WeakPolarHBondContact O-CB 3.29Å; H752-I755 WeakPolarHBondContact O-CG1 3.47Å; H752-I755 PolarHBondContact O-N 3.22Å; H752-H756 AromaticContact CD2-NE2 3.75Å; H752-H756 AromaticContact CE1-CE1 3.88Å; H752-H756 AromaticContact CE1-NE2 3.67Å; H752-H756 AromaticContact NE2-CE1 3.72Å; H752-H756 AromaticContact NE2-NE2 3.18Å; H752-H756 PolarHBondContact NE2-NE2 3.1Å; H752-H756 VanDerWaalsContact NE2-NE2 3.18Å
753	R	64	Low	62.3	Low	64 Å²	64	72.2 Å²	72.2	24%	0.242	38%	0.377	C	S	.	.	H	α-helix	trans	-57.7	-32.8	175.5	-78.2	-167.5	-172.2	-128.9	9.1	112.1	C736 E737 L749 I755 H756 T757	C736-R753 VanDerWaalsContact SG-CG 3.53Å; E737-R753 IonicContact OE1-CZ 3.61Å; E737-R753 IonicContact OE1-NH2 2.65Å; E737-R753 PolarHBondContact OE1-NH2 2.92Å; E737-R753 IonicContact OE2-CZ 3.57Å; E737-R753 IonicContact OE2-NH1 2.88Å; E737-R753 PolarHBondContact OE2-NH1 3.23Å; E737-R753 IonicContact OE2-NH2 2.71Å; E737-R753 PolarHBondContact OE2-NH2 3.05Å; L749-R753 HydrophobicContact CD1-CG 4.07Å; L749-R753 HydrophobicContact CG-CG 4.42Å; L749-R753 PolarHBondContact O-N 3.04Å; R753-I755 PolarHBondContact O-N 3.42Å; R753-I755 VanDerWaalsContact O-N 3.07Å; R753-H756 WeakPolarHBondContact O-CA 3.3Å; R753-H756 PolarHBondContact O-N 3.37Å; R753-T757 PolarHBondContact O-N 3.41Å; R753-T757 PolarHBondContact O-OG1 3.5Å
754	R	71.9	Confident	62.4	Low	64 Å²	64	70 Å²	70	24%	0.242	37%	0.367	C	S	.	.	H	α-helix	trans	-60.3	-10.1	170.4	-69.8	-177.1	176.7	161.9	2.4	115.8	L750 H752 E759 S772	L750-R754 WeakPolarHBondContact O-CG 3.34Å; H752-R754 PolarHBondContact O-N 3.21Å; R754-E759 HydrophobicContact CB-CB 4.29Å; R754-E759 WeakPolarHBondContact CB-O 3.49Å; R754-E759 HydrophobicContact CG-CB 3.86Å; R754-E759 IonicContact NE-OE2 2.84Å; R754-E759 PolarHBondContact NE-OE2 2.88Å; R754-S772 PolarHBondContact NH1-O 3.5Å; R754-S772 VanDerWaalsContact NH1-O 3.09Å
755	I	58.6	Low	62.8	Low	115 Å²	115	71.4 Å²	71.4	59%	0.59	39%	0.389	S	S	*	.	H	α-helix	trans	-81.9	-29.7	169.9	-55.2	-174.8	0	0	0	110.4	H752 R753	H752-I755 VanDerWaalsContact O-CB 3.24Å; H752-I755 WeakPolarHBondContact O-CB 3.29Å; H752-I755 WeakPolarHBondContact O-CG1 3.47Å; H752-I755 PolarHBondContact O-N 3.22Å; R753-I755 PolarHBondContact O-N 3.42Å; R753-I755 VanDerWaalsContact O-N 3.07Å
756	H	58.6	Low	62.9	Low	76 Å²	76	69.9 Å²	69.9	35%	0.352	39%	0.387	S	S	.	.	H	α-helix	trans	-91	-43.1	178.7	-45.3	-56.8	0	0	0	111.8	C736 D738 C739 H752 R753 G758	C736-H756 VanDerWaalsContact SG-CD2 3.58Å; C736-H756 PolarHBondContact SG-NE2 3.28Å; D738-H756 HydrophobicContact CB-CB 4.16Å; D738-H756 IonicContact OD2-CD2 3.83Å; D738-H756 PolarHBondContact OD2-CD2 2.7Å; D738-H756 IonicContact OD2-CG 3.21Å; D738-H756 IonicContact OD2-NE2 2.69Å; C739-H756 PolarHBondContact SG-NE2 3.49Å; C739-H756 VanDerWaalsContact SG-NE2 3.4Å; H752-H756 AromaticContact CD2-NE2 3.75Å; H752-H756 AromaticContact CE1-CE1 3.88Å; H752-H756 AromaticContact CE1-NE2 3.67Å; H752-H756 AromaticContact NE2-CE1 3.72Å; H752-H756 AromaticContact NE2-NE2 3.18Å; H752-H756 PolarHBondContact NE2-NE2 3.1Å; H752-H756 VanDerWaalsContact NE2-NE2 3.18Å; R753-H756 WeakPolarHBondContact O-CA 3.3Å; R753-H756 PolarHBondContact O-N 3.37Å; H756-G758 PolarHBondContact O-N 3Å
757	T	58.5	Low	63	Low	81 Å²	81	68.9 Å²	68.9	50%	0.497	39%	0.385	S	S	.	.	S	Bend	trans	-75.7	-4.7	175.9	65.8	0	0	0	0	113.6	R753 E759	R753-T757 PolarHBondContact O-N 3.41Å; R753-T757 PolarHBondContact O-OG1 3.5Å; T757-E759 PolarHBondContact O-N 3.45Å; T757-E759 WeakPolarHBondContact OG1-CG 3.35Å; T757-E759 PolarHBondContact OG1-OE1 2.93Å
758	G	58.6	Low	62.7	Low	41 Å²	41	68 Å²	68	42%	0.423	39%	0.388	S	S	.	.			trans	68.6	-12.2	-177.9	0	0	0	0	0	115.7	H756 K760	H756-G758 PolarHBondContact O-N 3Å; G758-K760 WeakPolarHBondContact O-CG 3.31Å; G758-K760 PolarHBondContact O-N 3.27Å
759	E	58.8	Low	62.4	Low	96 Å²	96	73.5 Å²	73.5	45%	0.449	40%	0.401	S	S	.	.			trans	-47.9	127	-179.7	-85.1	176.5	-138	0	0	113.6	R754 T757 P761	R754-E759 HydrophobicContact CB-CB 4.29Å; R754-E759 WeakPolarHBondContact CB-O 3.49Å; R754-E759 HydrophobicContact CG-CB 3.86Å; R754-E759 IonicContact NE-OE2 2.84Å; R754-E759 PolarHBondContact NE-OE2 2.88Å; T757-E759 PolarHBondContact O-N 3.45Å; T757-E759 WeakPolarHBondContact OG1-CG 3.35Å; T757-E759 PolarHBondContact OG1-OE1 2.93Å; E759-P761 HydrophobicContact CB-CG 4.38Å
760	K	64.8	Low	62.1	Low	116 Å²	116	74.3 Å²	74.3	50%	0.504	41%	0.41	S	S	.	.			trans	-131.2	66.7	177.5	-71.5	156.6	-172.8	166.6	0	111.6	G758 F762 A770 F771	G758-K760 WeakPolarHBondContact O-CG 3.31Å; G758-K760 PolarHBondContact O-N 3.27Å; K760-F762 PolarHBondContact O-N 3.16Å; K760-A770 HydrophobicContact CB-CB 3.36Å; K760-A770 HydrophobicContact CD-CB 3.91Å; K760-A770 HydrophobicContact CG-CB 4.22Å; K760-F771 CarbonylContact C-O 3.49Å; K760-F771 WeakPolarHBondContact CA-O 3.39Å
761	P	66.8	Low	62.5	Low	69 Å²	69	72.2 Å²	72.2	45%	0.448	40%	0.397	S	S	.	.			trans	-71.7	16.3	-165.1	-19.5	35.8	0	0	0	116.3	E759	E759-P761 HydrophobicContact CB-CG 4.38Å
762	F	68.7	Low	62.4	Low	62 Å²	62	71 Å²	71	27%	0.272	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	88	-179.1	-57.3	-71	0	0	0	108.8	K760 F771 N774 L777	K760-F762 PolarHBondContact O-N 3.16Å; F762-F771 HydrophobicContact CB-CB 4.45Å; F762-F771 WeakPolarHBondContact CB-O 3.29Å; F762-F771 WeakPolarHBondContact CD2-O 3.41Å; F762-F771 PolarHBondContact N-O 3.12Å; F762-F771 PolarHBondContact O-N 3.12Å; F762-N774 HydrophobicContact CD1-CB 3.7Å; F762-N774 HydrophobicContact CD2-CB 4.33Å; F762-N774 HydrophobicContact CE1-CB 3.68Å; F762-N774 HydrophobicContact CE2-CB 4.28Å; F762-N774 HydrophobicContact CG-CB 4.03Å; F762-N774 HydrophobicContact CZ-CB 3.96Å; F762-L777 HydrophobicContact CB-CB 4.04Å; F762-L777 HydrophobicContact CB-CD2 3.86Å
763	E	61.3	Low	62.4	Low	135 Å²	135	71.2 Å²	71.2	63%	0.631	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	146.8	-175.8	-51.9	-157.5	140.3	0	0	112.7	A770 L777	E763-A770 HydrophobicContact CG-CB 3.78Å; E763-A770 WeakPolarHBondContact OE1-CB 3.48Å; E763-L777 WeakPolarHBondContact O-CD2 3.35Å
764	C	67.1	Low	62.3	Low	0 Å²	0	71.8 Å²	71.8	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	100.2	176.8	-164.3	0	0	0	0	109.9	E766 C767 G768 R769 L777 H784	C764-E766 PolarHBondContact O-N 3.23Å; C764-C767 PolarHBondContact O-N 3.21Å; C764-G768 PolarHBondContact O-N 3.36Å; C764-R769 WeakPolarHBondContact CB-O 3.49Å; C764-R769 PolarHBondContact N-O 2.81Å; C764-L777 HydrophobicContact CB-CD1 3.56Å; C764-H784 PolarHBondContact SG-CD2 3.15Å; C764-H784 PolarHBondContact SG-NE2 3.42Å
765	G	61.4	Low	62.1	Low	79 Å²	79	78.1 Å²	78.1	81%	0.814	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-25.8	179.4	0	0	0	0	0	114.7	C767	G765-C767 VanDerWaalsContact C-N 3.34Å; G765-C767 PolarHBondContact O-N 3.24Å
766	E	59.2	Low	62.6	Low	101 Å²	101	76 Å²	76	47%	0.472	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-14.2	174.6	-64.9	113.9	-110.6	0	0	115.1	C764 K781 H784	C764-E766 PolarHBondContact O-N 3.23Å; E766-K781 IonicContact OE1-NZ 2.95Å; E766-K781 PolarHBondContact OE1-NZ 3.28Å; E766-K781 IonicContact OE2-NZ 2.51Å; E766-H784 HydrophobicContact CB-CB 4.43Å; E766-H784 IonicContact OE2-CD2 2.7Å; E766-H784 PolarHBondContact OE2-CD2 2.86Å; E766-H784 VanDerWaalsContact OE2-CD2 3.27Å; E766-H784 IonicContact OE2-CG 2.98Å
767	C	59.9	Low	63.2	Low	49 Å²	49	73.1 Å²	73.1	33%	0.331	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.3	9.5	-174.7	73.5	0	0	0	0	116.8	C764 G765 R769 H780 H784	C764-C767 PolarHBondContact O-N 3.21Å; G765-C767 VanDerWaalsContact C-N 3.34Å; G765-C767 PolarHBondContact O-N 3.24Å; C767-R769 PolarHBondContact O-N 3.37Å; C767-R769 VanDerWaalsContact SG-CB 3.6Å; C767-H780 PolarHBondContact SG-NE2 3.43Å; C767-H784 WeakPolarHBondContact CB-CE1 3.39Å; C767-H784 WeakPolarHBondContact CB-NE2 3.37Å; C767-H784 PolarHBondContact SG-CE1 2.96Å; C767-H784 PolarHBondContact SG-NE2 3.19Å
768	G	53.4	Low	63.5	Low	59 Å²	59	73.5 Å²	73.5	61%	0.608	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	2.7	-177.8	0	0	0	0	0	115.7	C764 A770	C764-G768 PolarHBondContact O-N 3.36Å; G768-A770 PolarHBondContact O-N 2.89Å
769	R	57.8	Low	63.9	Low	164 Å²	164	74.3 Å²	74.3	62%	0.619	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	117	-178.1	-71.3	-172.9	174.3	-168	-0.1	111.4	C764 C767 F771	C764-R769 WeakPolarHBondContact CB-O 3.49Å; C764-R769 PolarHBondContact N-O 2.81Å; C767-R769 PolarHBondContact O-N 3.37Å; C767-R769 VanDerWaalsContact SG-CB 3.6Å; R769-F771 HydrophobicContact CB-CE2 3.74Å; R769-F771 HydrophobicContact CB-CZ 4.1Å; R769-F771 VanDerWaalsContact O-CD2 3.3Å; R769-F771 WeakPolarHBondContact O-CD2 3.42Å; R769-F771 WeakPolarHBondContact O-CE2 3.33Å
770	A	60.3	Low	64.5	Low	27 Å²	27	70.3 Å²	70.3	22%	0.223	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	137.6	179.8	0	0	0	0	0	112.3	K760 E763 G768	K760-A770 HydrophobicContact CB-CB 3.36Å; K760-A770 HydrophobicContact CD-CB 3.91Å; K760-A770 HydrophobicContact CG-CB 4.22Å; E763-A770 HydrophobicContact CG-CB 3.78Å; E763-A770 WeakPolarHBondContact OE1-CB 3.48Å; G768-A770 PolarHBondContact O-N 2.89Å
771	F	73.4	Confident	64.6	Low	45 Å²	45	68.5 Å²	68.5	20%	0.197	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	146.3	-178.9	-62.8	-94.2	0	0	0	112.8	K760 F762 R769 S773 N776 L777 H780	K760-F771 CarbonylContact C-O 3.49Å; K760-F771 WeakPolarHBondContact CA-O 3.39Å; F762-F771 HydrophobicContact CB-CB 4.45Å; F762-F771 WeakPolarHBondContact CB-O 3.29Å; F762-F771 WeakPolarHBondContact CD2-O 3.41Å; F762-F771 PolarHBondContact N-O 3.12Å; F762-F771 PolarHBondContact O-N 3.12Å; R769-F771 HydrophobicContact CB-CE2 3.74Å; R769-F771 HydrophobicContact CB-CZ 4.1Å; R769-F771 VanDerWaalsContact O-CD2 3.3Å; R769-F771 WeakPolarHBondContact O-CD2 3.42Å; R769-F771 WeakPolarHBondContact O-CE2 3.33Å; F771-S773 VanDerWaalsContact C-N 3.26Å; F771-S773 PolarHBondContact O-N 2.89Å; F771-N776 HydrophobicContact CB-CB 4.35Å; F771-N776 HydrophobicContact CD1-CB 3.93Å; F771-N776 HydrophobicContact CG-CB 4.41Å; F771-L777 HydrophobicContact CB-CB 4.48Å; F771-L777 HydrophobicContact CD2-CB 4.26Å; F771-L777 HydrophobicContact CD2-CD1 4.04Å; F771-L777 HydrophobicContact CE2-CD1 4.35Å; F771-H780 HydrophobicContact CE1-CB 4.11Å; F771-H780 HydrophobicContact CE2-CB 3.89Å; F771-H780 AromaticContact CE2-CD2 3.23Å; F771-H780 WeakPolarHBondContact CE2-CD2 3.47Å; F771-H780 AromaticContact CE2-CG 3.65Å; F771-H780 HydrophobicContact CZ-CB 3.55Å; F771-H780 AromaticContact CZ-CD2 3.35Å; F771-H780 WeakPolarHBondContact CZ-CD2 3.4Å; F771-H780 AromaticContact CZ-CG 3.32Å
772	S	59.8	Low	64.7	Low	27 Å²	27	68.1 Å²	68.1	19%	0.189	36%	0.357	C	S	.	.	S	Bend	trans	-75.3	-9.4	177.6	58.8	0	0	0	0	114.8	R754	R754-S772 PolarHBondContact NH1-O 3.5Å; R754-S772 VanDerWaalsContact NH1-O 3.09Å
773	S	68.3	Low	64.4	Low	26 Å²	26	70 Å²	70	18%	0.182	37%	0.369	C	S	.	.	S	Bend	trans	-146.4	130	-176.7	174.2	0	0	0	0	112.3	F771 R775 N776 L777	F771-S773 VanDerWaalsContact C-N 3.26Å; F771-S773 PolarHBondContact O-N 2.89Å; S773-R775 PolarHBondContact O-N 3.43Å; S773-N776 WeakPolarHBondContact O-CA 3.44Å; S773-N776 WeakPolarHBondContact O-CB 3.47Å; S773-N776 PolarHBondContact O-N 2.91Å; S773-L777 PolarHBondContact O-N 3.27Å
774	N	62.2	Low	64.4	Low	76 Å²	76	67.6 Å²	67.6	41%	0.406	36%	0.358	S	S	.	.	H	α-helix	trans	-56.2	-33.9	179.2	-168.7	14.3	0	0	0	113	F762 N776 L777 I778	F762-N774 HydrophobicContact CD1-CB 3.7Å; F762-N774 HydrophobicContact CD2-CB 4.33Å; F762-N774 HydrophobicContact CE1-CB 3.68Å; F762-N774 HydrophobicContact CE2-CB 4.28Å; F762-N774 HydrophobicContact CG-CB 4.03Å; F762-N774 HydrophobicContact CZ-CB 3.96Å; N774-N776 PolarHBondContact O-N 3.11Å; N774-L777 PolarHBondContact O-N 2.96Å; N774-I778 WeakPolarHBondContact O-CG1 3.44Å; N774-I778 PolarHBondContact O-N 3.02Å
775	R	66.4	Low	64.1	Low	196 Å²	196	70.8 Å²	70.8	74%	0.74	38%	0.38	S	S	*	.	H	α-helix	trans	-59.7	-34.4	175.4	-178.6	176.8	177.4	171.5	2.4	111.9	S773 E779	S773-R775 PolarHBondContact O-N 3.43Å; R775-E779 WeakPolarHBondContact O-CB 3.43Å; R775-E779 PolarHBondContact O-N 3.37Å
776	N	69.4	Low	64	Low	71 Å²	71	69.1 Å²	69.1	38%	0.38	36%	0.363	S	S	.	.	H	α-helix	trans	-78.7	-34.3	-179.6	-58.4	4.4	0	0	0	110.7	F771 S773 N774 E779 H780	F771-N776 HydrophobicContact CB-CB 4.35Å; F771-N776 HydrophobicContact CD1-CB 3.93Å; F771-N776 HydrophobicContact CG-CB 4.41Å; S773-N776 WeakPolarHBondContact O-CA 3.44Å; S773-N776 WeakPolarHBondContact O-CB 3.47Å; S773-N776 PolarHBondContact O-N 2.91Å; N774-N776 PolarHBondContact O-N 3.11Å; N776-E779 PolarHBondContact O-N 2.91Å; N776-H780 VanDerWaalsContact O-CB 3.29Å; N776-H780 WeakPolarHBondContact O-CB 3.14Å; N776-H780 PolarHBondContact O-N 3.24Å
777	L	70	Confident	63.9	Low	15 Å²	15	68.9 Å²	68.9	8%	0.079	36%	0.362	C	S	.	.	H	α-helix	trans	-62.3	-45.1	169.9	175.9	62.7	0	0	0	111.6	F762 E763 C764 F771 S773 N774 E779 H780 K781	F762-L777 HydrophobicContact CB-CB 4.04Å; F762-L777 HydrophobicContact CB-CD2 3.86Å; E763-L777 WeakPolarHBondContact O-CD2 3.35Å; C764-L777 HydrophobicContact CB-CD1 3.56Å; F771-L777 HydrophobicContact CB-CB 4.48Å; F771-L777 HydrophobicContact CD2-CB 4.26Å; F771-L777 HydrophobicContact CD2-CD1 4.04Å; F771-L777 HydrophobicContact CE2-CD1 4.35Å; S773-L777 PolarHBondContact O-N 3.27Å; N774-L777 PolarHBondContact O-N 2.96Å; L777-E779 VanDerWaalsContact C-N 3.34Å; L777-E779 PolarHBondContact O-N 3.05Å; L777-H780 CarbonylContact O-C 3.57Å; L777-H780 WeakPolarHBondContact O-CA 3.5Å; L777-H780 WeakPolarHBondContact O-CB 3.32Å; L777-H780 PolarHBondContact O-N 3.48Å; L777-K781 HydrophobicContact CD1-CD 4.5Å; L777-K781 HydrophobicContact CD1-CG 4.27Å; L777-K781 HydrophobicContact CG-CD 4.46Å; L777-K781 PolarHBondContact O-N 3.07Å
778	I	66.9	Low	64	Low	89 Å²	89	72.1 Å²	72.1	46%	0.456	37%	0.37	S	S	.	.	H	α-helix	trans	-67.4	-34.1	176.9	-64.2	164.6	0	0	0	111.6	N774 H780	N774-I778 WeakPolarHBondContact O-CG1 3.44Å; N774-I778 PolarHBondContact O-N 3.02Å; I778-H780 VanDerWaalsContact C-N 3.3Å
779	E	66.3	Low	64.7	Low	58 Å²	58	72.6 Å²	72.6	27%	0.271	36%	0.362	S	S	.	.	H	α-helix	trans	-67.5	-30.3	170.1	178.4	164.6	142.5	0	0	111.9	R775 N776 L777 L801 K803	R775-E779 WeakPolarHBondContact O-CB 3.43Å; R775-E779 PolarHBondContact O-N 3.37Å; N776-E779 PolarHBondContact O-N 2.91Å; L777-E779 VanDerWaalsContact C-N 3.34Å; L777-E779 PolarHBondContact O-N 3.05Å; E779-L801 VanDerWaalsContact CD-CD2 3.42Å; E779-L801 HydrophobicContact CG-CD1 3.81Å; E779-L801 HydrophobicContact CG-CD2 3.76Å; E779-L801 HydrophobicContact CG-CG 4.19Å; E779-L801 WeakPolarHBondContact OE1-CD1 3.34Å; E779-L801 WeakPolarHBondContact OE2-CD2 3.28Å; E779-K803 IonicContact OE1-NZ 2.78Å; E779-K803 PolarHBondContact OE1-NZ 3.01Å; E779-K803 IonicContact OE2-NZ 2.79Å; E779-K803 PolarHBondContact OE2-NZ 2.93Å
780	H	71.5	Confident	65.1	Low	13 Å²	13	68.2 Å²	68.2	6%	0.06	35%	0.346	C	S	.	.	H	α-helix	trans	-81.3	-42.5	179.2	177.3	49.1	0	0	0	114.3	C767 F771 N776 L777 I778 R782 I783 H784	C767-H780 PolarHBondContact SG-NE2 3.43Å; F771-H780 HydrophobicContact CE1-CB 4.11Å; F771-H780 HydrophobicContact CE2-CB 3.89Å; F771-H780 AromaticContact CE2-CD2 3.23Å; F771-H780 WeakPolarHBondContact CE2-CD2 3.47Å; F771-H780 AromaticContact CE2-CG 3.65Å; F771-H780 HydrophobicContact CZ-CB 3.55Å; F771-H780 AromaticContact CZ-CD2 3.35Å; F771-H780 WeakPolarHBondContact CZ-CD2 3.4Å; F771-H780 AromaticContact CZ-CG 3.32Å; N776-H780 VanDerWaalsContact O-CB 3.29Å; N776-H780 WeakPolarHBondContact O-CB 3.14Å; N776-H780 PolarHBondContact O-N 3.24Å; L777-H780 CarbonylContact O-C 3.57Å; L777-H780 WeakPolarHBondContact O-CA 3.5Å; L777-H780 WeakPolarHBondContact O-CB 3.32Å; L777-H780 PolarHBondContact O-N 3.48Å; I778-H780 VanDerWaalsContact C-N 3.3Å; H780-R782 PolarHBondContact O-N 3.14Å; H780-R782 VanDerWaalsContact O-N 3.12Å; H780-I783 WeakPolarHBondContact O-CB 3.35Å; H780-I783 WeakPolarHBondContact O-CG1 3.33Å; H780-I783 PolarHBondContact O-N 2.99Å; H780-H784 AromaticContact CD2-NE2 3.17Å; H780-H784 PolarHBondContact CD2-NE2 2.89Å; H780-H784 AromaticContact CE1-CE1 3.76Å; H780-H784 AromaticContact CE1-NE2 3.12Å; H780-H784 PolarHBondContact CE1-NE2 3.2Å; H780-H784 AromaticContact NE2-CE1 3.83Å; H780-H784 AromaticContact NE2-NE2 2.43Å; H780-H784 PolarHBondContact NE2-NE2 3.34Å
781	K	65.6	Low	65.1	Low	77 Å²	77	72.1 Å²	72.1	34%	0.335	36%	0.36	S	S	.	.	H	α-helix	trans	-56	-30.3	-179	-84.6	177.8	164.2	-89.7	0	113.3	E766 L777 I783 H784 S785	E766-K781 IonicContact OE1-NZ 2.95Å; E766-K781 PolarHBondContact OE1-NZ 3.28Å; E766-K781 IonicContact OE2-NZ 2.51Å; L777-K781 HydrophobicContact CD1-CD 4.5Å; L777-K781 HydrophobicContact CD1-CG 4.27Å; L777-K781 HydrophobicContact CG-CD 4.46Å; L777-K781 PolarHBondContact O-N 3.07Å; K781-I783 PolarHBondContact O-N 3.36Å; K781-I783 VanDerWaalsContact O-N 3.15Å; K781-H784 PolarHBondContact O-N 3.13Å; K781-S785 PolarHBondContact O-N 3.46Å
782	R	70.8	Confident	64.8	Low	61 Å²	61	70 Å²	70	23%	0.23	35%	0.35	C	S	.	.	H	α-helix	trans	-63.1	-13.5	172.7	-64	170.5	179.3	-133.1	-15.4	114.9	H780 E787 I800	H780-R782 PolarHBondContact O-N 3.14Å; H780-R782 VanDerWaalsContact O-N 3.12Å; R782-E787 HydrophobicContact CB-CB 4.42Å; R782-E787 HydrophobicContact CG-CB 4.45Å; R782-E787 PolarHBondContact O-N 2.97Å; R782-I800 HydrophobicContact CB-CG2 3.45Å; R782-I800 VanDerWaalsContact CB-CG2 3.45Å; R782-I800 HydrophobicContact CG-CG2 4.32Å; R782-I800 PolarHBondContact NH1-O 3.46Å
783	I	61.4	Low	65	Low	101 Å²	101	75.3 Å²	75.3	52%	0.518	38%	0.377	S	S	.	.	H	α-helix	trans	-76.7	-33.2	171.1	-58.9	178.5	0	0	0	110	H780 K781 I800	H780-I783 WeakPolarHBondContact O-CB 3.35Å; H780-I783 WeakPolarHBondContact O-CG1 3.33Å; H780-I783 PolarHBondContact O-N 2.99Å; K781-I783 PolarHBondContact O-N 3.36Å; K781-I783 VanDerWaalsContact O-N 3.15Å; I783-I800 HydrophobicContact CG1-CD1 3.96Å
784	H	62.4	Low	64.6	Low	86 Å²	86	79.2 Å²	79.2	40%	0.398	39%	0.392	S	S	.	.	H	α-helix	trans	-84.4	-43.6	179	-54	-51.4	0	0	0	112.2	C764 E766 C767 H780 K781 G786	C764-H784 PolarHBondContact SG-CD2 3.15Å; C764-H784 PolarHBondContact SG-NE2 3.42Å; E766-H784 HydrophobicContact CB-CB 4.43Å; E766-H784 IonicContact OE2-CD2 2.7Å; E766-H784 PolarHBondContact OE2-CD2 2.86Å; E766-H784 VanDerWaalsContact OE2-CD2 3.27Å; E766-H784 IonicContact OE2-CG 2.98Å; C767-H784 WeakPolarHBondContact CB-CE1 3.39Å; C767-H784 WeakPolarHBondContact CB-NE2 3.37Å; C767-H784 PolarHBondContact SG-CE1 2.96Å; C767-H784 PolarHBondContact SG-NE2 3.19Å; H780-H784 AromaticContact CD2-NE2 3.17Å; H780-H784 PolarHBondContact CD2-NE2 2.89Å; H780-H784 AromaticContact CE1-CE1 3.76Å; H780-H784 AromaticContact CE1-NE2 3.12Å; H780-H784 PolarHBondContact CE1-NE2 3.2Å; H780-H784 AromaticContact NE2-CE1 3.83Å; H780-H784 AromaticContact NE2-NE2 2.43Å; H780-H784 PolarHBondContact NE2-NE2 3.34Å; K781-H784 PolarHBondContact O-N 3.13Å; H784-G786 PolarHBondContact O-N 3.17Å; H784-G786 VanDerWaalsContact O-N 3.13Å
785	S	59.9	Low	64.7	Low	66 Å²	66	77.8 Å²	77.8	46%	0.462	39%	0.388	S	S	.	.	S	Bend	trans	-71.7	-1.7	176.1	68.5	0	0	0	0	114	K781 E787	K781-S785 PolarHBondContact O-N 3.46Å; S785-E787 PolarHBondContact O-N 3.41Å; S785-E787 WeakPolarHBondContact OG-CG 3.38Å; S785-E787 PolarHBondContact OG-OE1 2.9Å
786	G	58.4	Low	64.4	Low	45 Å²	45	70.5 Å²	70.5	46%	0.464	37%	0.374	S	S	.	.			trans	66.9	-6.3	-176.6	0	0	0	0	0	115	H784 K788	H784-G786 PolarHBondContact O-N 3.17Å; H784-G786 VanDerWaalsContact O-N 3.13Å; G786-K788 PolarHBondContact O-N 3.04Å
787	E	57	Low	63.9	Low	96 Å²	96	73 Å²	73	45%	0.449	38%	0.381	S	S	.	.			trans	-53.9	118.5	-175.1	-84.4	174.2	-124.4	0	0	112.6	R782 S785 P789 I800	R782-E787 HydrophobicContact CB-CB 4.42Å; R782-E787 HydrophobicContact CG-CB 4.45Å; R782-E787 PolarHBondContact O-N 2.97Å; S785-E787 PolarHBondContact O-N 3.41Å; S785-E787 WeakPolarHBondContact OG-CG 3.38Å; S785-E787 PolarHBondContact OG-OE1 2.9Å; E787-P789 VanDerWaalsContact C-CD 3.5Å; E787-P789 HydrophobicContact CB-CG 4.17Å; E787-P789 WeakPolarHBondContact O-CD 3.4Å; E787-I800 WeakPolarHBondContact O-CG1 3.24Å
788	K	63.4	Low	63.3	Low	117 Å²	117	74.7 Å²	74.7	51%	0.509	39%	0.394	S	S	.	.			trans	-121.1	69.1	172.7	-69.2	156.8	-179.2	171.9	0	110.2	G786 Y790 C798 F799 I800	G786-K788 PolarHBondContact O-N 3.04Å; K788-Y790 PolarHBondContact O-N 3.47Å; K788-C798 HydrophobicContact CB-CB 3.42Å; K788-C798 VanDerWaalsContact CB-CB 3.42Å; K788-C798 HydrophobicContact CD-CB 4.04Å; K788-C798 WeakPolarHBondContact CD-O 3.38Å; K788-C798 HydrophobicContact CG-CB 4.29Å; K788-F799 CarbonylContact C-O 3.22Å; K788-F799 WeakPolarHBondContact CA-O 3.32Å; K788-I800 HydrophobicContact CG-CG1 3.93Å
789	P	67.1	Low	63.6	Low	68 Å²	68	72.8 Å²	72.8	44%	0.442	38%	0.382	S	S	.	.			trans	-74.9	18.5	-166.4	-14.5	32.6	0	0	0	114.8	E787	E787-P789 VanDerWaalsContact C-CD 3.5Å; E787-P789 HydrophobicContact CB-CG 4.17Å; E787-P789 WeakPolarHBondContact O-CD 3.4Å
790	Y	66.8	Low	63.1	Low	72 Å²	72	72.2 Å²	72.2	28%	0.282	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	-136.5	75.6	-175.9	-55.1	-65.8	0	0	0	108	K788 F799 L801 K802	K788-Y790 PolarHBondContact O-N 3.47Å; Y790-F799 WeakPolarHBondContact CB-O 3.41Å; Y790-F799 PolarHBondContact N-O 3.42Å; Y790-F799 PolarHBondContact O-N 2.84Å; Y790-L801 VanDerWaalsContact CD2-C 3.42Å; Y790-K802 HydrophobicContact CD1-CB 3.82Å; Y790-K802 HydrophobicContact CD1-CD 4.37Å; Y790-K802 HydrophobicContact CD1-CG 4.28Å; Y790-K802 HydrophobicContact CD2-CB 4.22Å; Y790-K802 HydrophobicContact CE1-CB 3.76Å; Y790-K802 HydrophobicContact CE1-CD 4.17Å; Y790-K802 HydrophobicContact CE1-CG 4.36Å; Y790-K802 HydrophobicContact CE2-CB 4.12Å; Y790-K802 VanDerWaalsContact CE2-N 3.35Å; Y790-K802 HydrophobicContact CG-CB 4.06Å
791	E	60.3	Low	62.9	Low	109 Å²	109	73.3 Å²	73.3	51%	0.509	39%	0.386	S	S	.	.			trans	-66.1	156.2	170.9	-171.7	154.9	-177.1	0	0	111.7	L805	E791-L805 WeakPolarHBondContact O-CD1 3.42Å; E791-L805 WeakPolarHBondContact O-CD2 3.48Å
792	C	66.5	Low	62.7	Low	0 Å²	0	75.3 Å²	75.3	0%	0	40%	0.395	C	S	.	.			trans	-110.1	104.8	174.8	-172.2	0	0	0	0	108.7	E794 C795 G796 K797 L805 H808 H812	C792-E794 PolarHBondContact O-N 2.87Å; C792-C795 PolarHBondContact O-N 3.48Å; C792-G796 PolarHBondContact O-N 3.33Å; C792-K797 WeakPolarHBondContact CB-O 3.33Å; C792-K797 PolarHBondContact N-O 3.39Å; C792-L805 HydrophobicContact CB-CD1 3.56Å; C792-H808 VanDerWaalsContact SG-CD2 3.55Å; C792-H812 VanDerWaalsContact SG-CD2 3.52Å; C792-H812 PolarHBondContact SG-NE2 3.08Å
793	D	64.6	Low	62.2	Low	139 Å²	139	78.2 Å²	78.2	74%	0.743	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-32.3	-171.2	-39.1	-70.1	0	0	0	112.6
794	E	59.8	Low	62.6	Low	108 Å²	108	75.5 Å²	75.5	51%	0.505	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-7.4	179.4	-64.6	170.5	-107	0	0	115.1	C792 H812	C792-E794 PolarHBondContact O-N 2.87Å; E794-H812 HydrophobicContact CB-CB 4.43Å; E794-H812 WeakPolarHBondContact OE2-CB 3.46Å; E794-H812 IonicContact OE2-CG 3.84Å
795	C	65	Low	63	Low	47 Å²	47	72 Å²	72	32%	0.318	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-159.7	7.4	-176.6	76.3	0	0	0	0	117.8	C792 K797 H808 H812	C792-C795 PolarHBondContact O-N 3.48Å; C795-K797 PolarHBondContact O-N 2.99Å; C795-K797 VanDerWaalsContact O-N 3.11Å; C795-H808 PolarHBondContact SG-NE2 3.37Å; C795-H812 PolarHBondContact SG-NE2 2.9Å
796	G	58.3	Low	63.2	Low	43 Å²	43	72.2 Å²	72.2	44%	0.443	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	10.6	179.3	0	0	0	0	0	115.7	C792 C798	C792-G796 PolarHBondContact O-N 3.33Å; G796-C798 PolarHBondContact O-N 3.05Å; G796-C798 PolarHBondContact O-SG 2.97Å
797	K	59.4	Low	63.3	Low	124 Å²	124	70.5 Å²	70.5	54%	0.539	36%	0.361	S	S	.	.			trans	-84.2	105.6	-178.7	-72.3	174	-177.4	163.4	0	110.7	C792 C795 F799	C792-K797 WeakPolarHBondContact CB-O 3.33Å; C792-K797 PolarHBondContact N-O 3.39Å; C795-K797 PolarHBondContact O-N 2.99Å; C795-K797 VanDerWaalsContact O-N 3.11Å; K797-F799 HydrophobicContact CB-CE2 3.95Å; K797-F799 HydrophobicContact CB-CZ 4.26Å; K797-F799 WeakPolarHBondContact O-CD2 3.27Å; K797-F799 WeakPolarHBondContact O-CE2 3.46Å
798	C	57.9	Low	63.8	Low	49 Å²	49	67 Å²	67	33%	0.331	35%	0.345	S	S	.	.			trans	-86.2	133.8	-178.3	-43.2	0	0	0	0	112.7	K788 G796	K788-C798 HydrophobicContact CB-CB 3.42Å; K788-C798 VanDerWaalsContact CB-CB 3.42Å; K788-C798 HydrophobicContact CD-CB 4.04Å; K788-C798 WeakPolarHBondContact CD-O 3.38Å; K788-C798 HydrophobicContact CG-CB 4.29Å; G796-C798 PolarHBondContact O-N 3.05Å; G796-C798 PolarHBondContact O-SG 2.97Å
799	F	72.1	Confident	63.8	Low	50 Å²	50	63.8 Å²	63.8	22%	0.219	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-115.6	143.9	-179.9	-63.6	-90.8	0	0	0	112.1	K788 Y790 K797 L801 L805 H808	K788-F799 CarbonylContact C-O 3.22Å; K788-F799 WeakPolarHBondContact CA-O 3.32Å; Y790-F799 WeakPolarHBondContact CB-O 3.41Å; Y790-F799 PolarHBondContact N-O 3.42Å; Y790-F799 PolarHBondContact O-N 2.84Å; K797-F799 HydrophobicContact CB-CE2 3.95Å; K797-F799 HydrophobicContact CB-CZ 4.26Å; K797-F799 WeakPolarHBondContact O-CD2 3.27Å; K797-F799 WeakPolarHBondContact O-CE2 3.46Å; F799-L801 PolarHBondContact O-N 3.49Å; F799-L805 HydrophobicContact CB-CB 4.37Å; F799-L805 HydrophobicContact CD2-CB 4.13Å; F799-L805 HydrophobicContact CD2-CD1 3.98Å; F799-L805 HydrophobicContact CE2-CD1 4.34Å; F799-L805 HydrophobicContact CG-CB 4.45Å; F799-H808 HydrophobicContact CE1-CB 4.24Å; F799-H808 HydrophobicContact CE2-CB 3.72Å; F799-H808 AromaticContact CE2-CD2 3.31Å; F799-H808 WeakPolarHBondContact CE2-CD2 3.28Å; F799-H808 AromaticContact CE2-CG 3.55Å; F799-H808 HydrophobicContact CZ-CB 3.51Å; F799-H808 AromaticContact CZ-CD2 3.51Å; F799-H808 AromaticContact CZ-CG 3.32Å; F799-H808 AromaticContact CZ-ND1 3.88Å
800	I	57.1	Low	63.7	Low	45 Å²	45	65.3 Å²	65.3	23%	0.231	33%	0.329	C	S	.	.	S	Bend	trans	-63.5	-22	173.3	-62	166.6	0	0	0	111.7	R782 I783 E787 K788	R782-I800 HydrophobicContact CB-CG2 3.45Å; R782-I800 VanDerWaalsContact CB-CG2 3.45Å; R782-I800 HydrophobicContact CG-CG2 4.32Å; R782-I800 PolarHBondContact NH1-O 3.46Å; I783-I800 HydrophobicContact CG1-CD1 3.96Å; E787-I800 WeakPolarHBondContact O-CG1 3.24Å; K788-I800 HydrophobicContact CG-CG1 3.93Å
801	L	66.2	Low	63.3	Low	36 Å²	36	67.3 Å²	67.3	19%	0.188	34%	0.343	C	S	.	.			trans	-141	125	-163.4	-79.1	153.2	0	0	0	113.7	E779 Y790 F799 K803 S804 L805	E779-L801 VanDerWaalsContact CD-CD2 3.42Å; E779-L801 HydrophobicContact CG-CD1 3.81Å; E779-L801 HydrophobicContact CG-CD2 3.76Å; E779-L801 HydrophobicContact CG-CG 4.19Å; E779-L801 WeakPolarHBondContact OE1-CD1 3.34Å; E779-L801 WeakPolarHBondContact OE2-CD2 3.28Å; Y790-L801 VanDerWaalsContact CD2-C 3.42Å; F799-L801 PolarHBondContact O-N 3.49Å; L801-K803 HydrophobicContact CB-CG 4.18Å; L801-K803 HydrophobicContact CD2-CD 4.47Å; L801-K803 PolarHBondContact O-N 3.06Å; L801-K803 VanDerWaalsContact O-N 3.14Å; L801-S804 WeakPolarHBondContact O-CA 3.29Å; L801-S804 WeakPolarHBondContact O-CB 3.5Å; L801-S804 PolarHBondContact O-N 3.48Å; L801-L805 PolarHBondContact O-N 3.09Å; L801-L805 VanDerWaalsContact O-N 3.08Å
802	K	61.8	Low	63.2	Low	120 Å²	120	65 Å²	65	52%	0.522	33%	0.332	S	S	.	.	H	α-helix	trans	-57.2	-30.4	178	-171.6	160.4	-175.2	163.4	0	114.2	Y790 S804 L805 I806	Y790-K802 HydrophobicContact CD1-CB 3.82Å; Y790-K802 HydrophobicContact CD1-CD 4.37Å; Y790-K802 HydrophobicContact CD1-CG 4.28Å; Y790-K802 HydrophobicContact CD2-CB 4.22Å; Y790-K802 HydrophobicContact CE1-CB 3.76Å; Y790-K802 HydrophobicContact CE1-CD 4.17Å; Y790-K802 HydrophobicContact CE1-CG 4.36Å; Y790-K802 HydrophobicContact CE2-CB 4.12Å; Y790-K802 VanDerWaalsContact CE2-N 3.35Å; Y790-K802 HydrophobicContact CG-CB 4.06Å; K802-S804 VanDerWaalsContact C-N 3.27Å; K802-S804 PolarHBondContact O-N 3.41Å; K802-L805 PolarHBondContact O-N 3.12Å; K802-I806 HydrophobicContact CD-CD1 4.48Å; K802-I806 HydrophobicContact CG-CD1 3.81Å; K802-I806 HydrophobicContact CG-CG1 4.26Å; K802-I806 WeakPolarHBondContact O-CB 3.26Å; K802-I806 VanDerWaalsContact O-CG1 3.3Å; K802-I806 WeakPolarHBondContact O-CG1 3.21Å; K802-I806 PolarHBondContact O-N 3.47Å
803	K	61.7	Low	62.5	Low	121 Å²	121	68 Å²	68	53%	0.526	35%	0.351	S	S	.	.	H	α-helix	trans	-63.9	-33	173.5	71.5	-161.7	175.9	-163	0	112.3	E779 L801 G807	E779-K803 IonicContact OE1-NZ 2.78Å; E779-K803 PolarHBondContact OE1-NZ 3.01Å; E779-K803 IonicContact OE2-NZ 2.79Å; E779-K803 PolarHBondContact OE2-NZ 2.93Å; L801-K803 HydrophobicContact CB-CG 4.18Å; L801-K803 HydrophobicContact CD2-CD 4.47Å; L801-K803 PolarHBondContact O-N 3.06Å; L801-K803 VanDerWaalsContact O-N 3.14Å; K803-G807 PolarHBondContact O-N 3.36Å
804	S	69.5	Low	61.9	Low	45 Å²	45	72.3 Å²	72.3	32%	0.315	36%	0.356	S	S	.	.	H	α-helix	trans	-79.9	-40.6	177	-50.7	0	0	0	0	111.4	L801 K802 G807 H808	L801-S804 WeakPolarHBondContact O-CA 3.29Å; L801-S804 WeakPolarHBondContact O-CB 3.5Å; L801-S804 PolarHBondContact O-N 3.48Å; K802-S804 VanDerWaalsContact C-N 3.27Å; K802-S804 PolarHBondContact O-N 3.41Å; S804-G807 CarbonylContact O-C 3.5Å; S804-G807 WeakPolarHBondContact O-CA 3.35Å; S804-G807 PolarHBondContact O-N 3.45Å; S804-H808 WeakPolarHBondContact O-CB 3.44Å; S804-H808 PolarHBondContact O-N 2.96Å
805	L	69.6	Low	61.2	Low	13 Å²	13	73.6 Å²	73.6	7%	0.068	36%	0.362	C	S	.	.	H	α-helix	trans	-58.6	-51.6	172.2	174.5	63.6	0	0	0	111.5	E791 C792 F799 L801 K802 G807 H808 Q809	E791-L805 WeakPolarHBondContact O-CD1 3.42Å; E791-L805 WeakPolarHBondContact O-CD2 3.48Å; C792-L805 HydrophobicContact CB-CD1 3.56Å; F799-L805 HydrophobicContact CB-CB 4.37Å; F799-L805 HydrophobicContact CD2-CB 4.13Å; F799-L805 HydrophobicContact CD2-CD1 3.98Å; F799-L805 HydrophobicContact CE2-CD1 4.34Å; F799-L805 HydrophobicContact CG-CB 4.45Å; L801-L805 PolarHBondContact O-N 3.09Å; L801-L805 VanDerWaalsContact O-N 3.08Å; K802-L805 PolarHBondContact O-N 3.12Å; L805-G807 PolarHBondContact O-N 3.25Å; L805-H808 CarbonylContact O-C 3.46Å; L805-H808 WeakPolarHBondContact O-CA 3.42Å; L805-H808 WeakPolarHBondContact O-CB 3.38Å; L805-H808 PolarHBondContact O-N 3.14Å; L805-Q809 HydrophobicContact CD1-CG 3.86Å; L805-Q809 HydrophobicContact CG-CG 4.21Å; L805-Q809 PolarHBondContact O-N 3.01Å
806	I	65.6	Low	60.4	Low	70 Å²	70	79.7 Å²	79.7	36%	0.359	38%	0.384	S	S	.	.	H	α-helix	trans	-61.4	-30.7	177.3	-67.9	167.8	0	0	0	111.3	K802 H808 R810	K802-I806 HydrophobicContact CD-CD1 4.48Å; K802-I806 HydrophobicContact CG-CD1 3.81Å; K802-I806 HydrophobicContact CG-CG1 4.26Å; K802-I806 WeakPolarHBondContact O-CB 3.26Å; K802-I806 VanDerWaalsContact O-CG1 3.3Å; K802-I806 WeakPolarHBondContact O-CG1 3.21Å; K802-I806 PolarHBondContact O-N 3.47Å; I806-H808 VanDerWaalsContact C-N 3.31Å; I806-R810 WeakPolarHBondContact O-CG 3.43Å; I806-R810 PolarHBondContact O-NE 3.5Å
807	G	60.6	Low	60.7	Low	9 Å²	9	79.3 Å²	79.3	9%	0.093	37%	0.374	C	S	.	.	H	α-helix	trans	-71.9	-22	172.1	0	0	0	0	0	114.6	K803 S804 L805 Y829	K803-G807 PolarHBondContact O-N 3.36Å; S804-G807 CarbonylContact O-C 3.5Å; S804-G807 WeakPolarHBondContact O-CA 3.35Å; S804-G807 PolarHBondContact O-N 3.45Å; L805-G807 PolarHBondContact O-N 3.25Å; G807-Y829 VanDerWaalsContact CA-OH 3.31Å; G807-Y829 WeakPolarHBondContact CA-OH 3.46Å
808	H	67.6	Low	60.7	Low	22 Å²	22	77.9 Å²	77.9	10%	0.102	37%	0.366	C	S	.	.	H	α-helix	trans	-94.3	-39.7	-179.4	179.2	60.8	0	0	0	112.8	C792 C795 F799 S804 L805 I806 R810 I811 H812	C792-H808 VanDerWaalsContact SG-CD2 3.55Å; C795-H808 PolarHBondContact SG-NE2 3.37Å; F799-H808 HydrophobicContact CE1-CB 4.24Å; F799-H808 HydrophobicContact CE2-CB 3.72Å; F799-H808 AromaticContact CE2-CD2 3.31Å; F799-H808 WeakPolarHBondContact CE2-CD2 3.28Å; F799-H808 AromaticContact CE2-CG 3.55Å; F799-H808 HydrophobicContact CZ-CB 3.51Å; F799-H808 AromaticContact CZ-CD2 3.51Å; F799-H808 AromaticContact CZ-CG 3.32Å; F799-H808 AromaticContact CZ-ND1 3.88Å; S804-H808 WeakPolarHBondContact O-CB 3.44Å; S804-H808 PolarHBondContact O-N 2.96Å; L805-H808 CarbonylContact O-C 3.46Å; L805-H808 WeakPolarHBondContact O-CA 3.42Å; L805-H808 WeakPolarHBondContact O-CB 3.38Å; L805-H808 PolarHBondContact O-N 3.14Å; I806-H808 VanDerWaalsContact C-N 3.31Å; H808-R810 PolarHBondContact O-N 3.09Å; H808-I811 WeakPolarHBondContact O-CB 3.41Å; H808-I811 WeakPolarHBondContact O-CG1 3.33Å; H808-I811 PolarHBondContact O-N 3.47Å; H808-H812 AromaticContact CD2-NE2 3.61Å; H808-H812 AromaticContact CE1-CE1 3.62Å; H808-H812 AromaticContact CE1-NE2 3.66Å; H808-H812 AromaticContact NE2-CE1 3.45Å; H808-H812 PolarHBondContact NE2-CE1 3.3Å; H808-H812 AromaticContact NE2-NE2 3.08Å; H808-H812 PolarHBondContact NE2-NE2 3.09Å
809	Q	62.3	Low	60.6	Low	49 Å²	49	81.1 Å²	81.1	23%	0.229	38%	0.375	C	S	.	.	H	α-helix	trans	-56.2	-33.6	175	-73.1	169.9	-48.4	0	0	111.6	L805 I811 H812 T813	L805-Q809 HydrophobicContact CD1-CG 3.86Å; L805-Q809 HydrophobicContact CG-CG 4.21Å; L805-Q809 PolarHBondContact O-N 3.01Å; Q809-I811 PolarHBondContact O-N 2.99Å; Q809-H812 PolarHBondContact O-N 2.85Å; Q809-T813 PolarHBondContact O-N 2.74Å; Q809-T813 VanDerWaalsContact O-N 3.15Å; Q809-T813 PolarHBondContact O-OG1 3.18Å
810	R	65.1	Low	60.4	Low	100 Å²	100	78.7 Å²	78.7	38%	0.377	36%	0.364	S	S	.	.	H	α-helix	trans	-59.6	-10.6	170.5	-68.9	173.2	-168.6	-167.4	-1.5	115.7	I806 H808 S828	I806-R810 WeakPolarHBondContact O-CG 3.43Å; I806-R810 PolarHBondContact O-NE 3.5Å; H808-R810 PolarHBondContact O-N 3.09Å; R810-S828 PolarHBondContact NH1-O 3.31Å
811	I	59	Low	60.9	Low	115 Å²	115	82.8 Å²	82.8	59%	0.59	39%	0.386	S	S	*	.	H	α-helix	trans	-84.3	-34.7	175.5	-56.6	-179	0	0	0	110	H808 Q809	H808-I811 WeakPolarHBondContact O-CB 3.41Å; H808-I811 WeakPolarHBondContact O-CG1 3.33Å; H808-I811 PolarHBondContact O-N 3.47Å; Q809-I811 PolarHBondContact O-N 2.99Å
812	H	56.8	Low	60.9	Low	59 Å²	59	85.7 Å²	85.7	27%	0.273	40%	0.402	S	S	.	.	H	α-helix	trans	-88.1	-48.4	-176.3	-46.2	-47.2	0	0	0	112.1	C792 E794 C795 H808 Q809 R814	C792-H812 VanDerWaalsContact SG-CD2 3.52Å; C792-H812 PolarHBondContact SG-NE2 3.08Å; E794-H812 HydrophobicContact CB-CB 4.43Å; E794-H812 WeakPolarHBondContact OE2-CB 3.46Å; E794-H812 IonicContact OE2-CG 3.84Å; C795-H812 PolarHBondContact SG-NE2 2.9Å; H808-H812 AromaticContact CD2-NE2 3.61Å; H808-H812 AromaticContact CE1-CE1 3.62Å; H808-H812 AromaticContact CE1-NE2 3.66Å; H808-H812 AromaticContact NE2-CE1 3.45Å; H808-H812 PolarHBondContact NE2-CE1 3.3Å; H808-H812 AromaticContact NE2-NE2 3.08Å; H808-H812 PolarHBondContact NE2-NE2 3.09Å; Q809-H812 PolarHBondContact O-N 2.85Å; H812-R814 PolarHBondContact O-N 3.36Å
813	T	53	Low	61.3	Low	64 Å²	64	82.5 Å²	82.5	39%	0.393	39%	0.394	S	S	.	.	S	Bend	trans	-63.8	-9.4	-172.1	62.4	0	0	0	0	115	Q809 E815	Q809-T813 PolarHBondContact O-N 2.74Å; Q809-T813 VanDerWaalsContact O-N 3.15Å; Q809-T813 PolarHBondContact O-OG1 3.18Å; T813-E815 PolarHBondContact O-N 3.1Å
814	R	51.3	Low	61.4	Low	229 Å²	229	78.5 Å²	78.5	86%	0.864	39%	0.388	S	S	*	.			trans	55.9	2.6	-179.7	-133.1	179.3	-166.9	-162.3	5.4	115.8	H812 K816	H812-R814 PolarHBondContact O-N 3.36Å; R814-K816 PolarHBondContact O-N 3.43Å
815	E	45.9	Very low	61.2	Low	135 Å²	135	82.4 Å²	82.4	63%	0.631	40%	0.399	S	S	*	.			trans	-62.6	102.8	176	-72.9	-161	129.1	0	0	111.1	T813 S817	T813-E815 PolarHBondContact O-N 3.1Å; E815-S817 PolarHBondContact O-N 3.07Å
816	K	48.1	Very low	60.7	Low	175 Å²	175	85.4 Å²	85.4	76%	0.761	42%	0.417	S	S	*	.			trans	-54	120.8	178.5	-59.7	161.5	-173.5	161.8	0	110	R814 V826	R814-K816 PolarHBondContact O-N 3.43Å; K816-V826 HydrophobicContact CB-CG1 4.49Å
817	S	64.4	Low	60.7	Low	36 Å²	36	84.5 Å²	84.5	25%	0.252	41%	0.411	S	S	.	.			trans	-132.9	116.6	162.3	45.8	0	0	0	0	109.1	E815	E815-S817 PolarHBondContact O-N 3.07Å
818	Y	59.8	Low	60.4	Low	93 Å²	93	85.9 Å²	85.9	37%	0.365	42%	0.419	S	S	.	.			trans	72.7	70.2	-175.3	-41.6	-67.8	0	0	0	114.2	F827 R830	Y818-F827 PolarHBondContact O-N 3.06Å; Y818-R830 HydrophobicContact CD1-CB 3.85Å; Y818-R830 HydrophobicContact CD1-CG 3.77Å; Y818-R830 HydrophobicContact CD2-CB 4.04Å; Y818-R830 VanDerWaalsContact CD2-N 3.34Å; Y818-R830 HydrophobicContact CE1-CB 3.67Å; Y818-R830 HydrophobicContact CE1-CG 3.69Å; Y818-R830 HydrophobicContact CE2-CB 3.88Å; Y818-R830 HydrophobicContact CG-CB 4.04Å; Y818-R830 HydrophobicContact CG-CG 4.37Å
819	K	56.2	Low	59.9	Low	117 Å²	117	89.2 Å²	89.2	51%	0.509	43%	0.432	S	S	.	.	B	Isolated β-bridge	trans	-70	140.7	158.8	-176.3	-165.6	172.1	-168.8	0	109.2	K825 V826 L833	K819-K825 CarbonylContact C-O 3.32Å; K819-V826 HydrophobicContact CB-CG2 4.36Å; K819-V826 HydrophobicContact CG-CG2 4.44Å; K819-L833 WeakPolarHBondContact O-CD2 3.32Å
820	C	67.3	Low	59.7	Low	0 Å²	0	94.5 Å²	94.5	0%	0	45%	0.449	C	S	.	.			trans	-83.3	126.2	165.3	-160.3	0	0	0	0	109.8	D822 G824 K825 F827 L833 H836 H840	C820-D822 VanDerWaalsContact C-N 3.34Å; C820-D822 PolarHBondContact SG-OD2 3.36Å; C820-D822 VanDerWaalsContact SG-OD2 3.34Å; C820-G824 VanDerWaalsContact O-CA 3.22Å; C820-G824 WeakPolarHBondContact O-CA 3.39Å; C820-G824 PolarHBondContact O-N 3.14Å; C820-K825 WeakPolarHBondContact CB-O 3.24Å; C820-K825 PolarHBondContact N-O 2.63Å; C820-F827 HydrophobicContact CB-CE2 4.33Å; C820-L833 HydrophobicContact CB-CD1 3.49Å; C820-L833 VanDerWaalsContact CB-CD1 3.49Å; C820-H836 PolarHBondContact SG-CD2 3.08Å; C820-H840 VanDerWaalsContact SG-CD2 3.55Å; C820-H840 PolarHBondContact SG-NE2 3.37Å
821	N	67.9	Low	59.4	Low	131 Å²	131	93.2 Å²	93.2	70%	0.701	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-43.4	-178.3	-68.2	-6.3	0	0	0	110.5	C823	N821-C823 PolarHBondContact O-N 2.91Å
822	D	65.3	Low	59.9	Low	97 Å²	97	91.2 Å²	91.2	52%	0.519	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-20.7	-166.9	-25.4	-60.1	0	0	0	113.7	C820 H840	C820-D822 VanDerWaalsContact C-N 3.34Å; C820-D822 PolarHBondContact SG-OD2 3.36Å; C820-D822 VanDerWaalsContact SG-OD2 3.34Å; D822-H840 HydrophobicContact CB-CB 4.21Å; D822-H840 IonicContact OD2-CD2 3.18Å; D822-H840 PolarHBondContact OD2-CD2 3.06Å; D822-H840 IonicContact OD2-CG 3.14Å
823	C	71.3	Confident	60.5	Low	53 Å²	53	89.1 Å²	89.1	36%	0.358	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.7	16.8	177.5	86.9	0	0	0	0	115.2	N821 K825 H836 H840	N821-C823 PolarHBondContact O-N 2.91Å; C823-K825 PolarHBondContact O-N 3.01Å; C823-H836 PolarHBondContact SG-NE2 3.1Å; C823-H840 VanDerWaalsContact SG-CE1 3.5Å; C823-H840 PolarHBondContact SG-NE2 3.29Å; C823-H840 VanDerWaalsContact SG-NE2 3.42Å
824	G	63.7	Low	61.2	Low	37 Å²	37	89.6 Å²	89.6	38%	0.381	44%	0.437	S	S	.	.			trans	69.1	-12.8	174.4	0	0	0	0	0	117.7	C820 V826	C820-G824 VanDerWaalsContact O-CA 3.22Å; C820-G824 WeakPolarHBondContact O-CA 3.39Å; C820-G824 PolarHBondContact O-N 3.14Å; G824-V826 PolarHBondContact O-N 2.91Å
825	K	64.1	Low	61.8	Low	127 Å²	127	79.3 Å²	79.3	55%	0.552	40%	0.401	S	S	*	.			trans	-62.2	132.3	-174.7	-72.5	177.3	-176.2	170	0	111.8	K819 C820 C823 F827	K819-K825 CarbonylContact C-O 3.32Å; C820-K825 WeakPolarHBondContact CB-O 3.24Å; C820-K825 PolarHBondContact N-O 2.63Å; C823-K825 PolarHBondContact O-N 3.01Å; K825-F827 HydrophobicContact CB-CE2 3.82Å; K825-F827 HydrophobicContact CB-CZ 4.06Å; K825-F827 WeakPolarHBondContact O-CE2 3.4Å
826	V	59.3	Low	63.1	Low	75 Å²	75	73.7 Å²	73.7	46%	0.455	37%	0.374	S	S	.	.	B	Isolated β-bridge	trans	-100.3	138.1	179.6	-175.1	0	0	0	0	109.6	K816 K819 G824	K816-V826 HydrophobicContact CB-CG1 4.49Å; K819-V826 HydrophobicContact CB-CG2 4.36Å; K819-V826 HydrophobicContact CG-CG2 4.44Å; G824-V826 PolarHBondContact O-N 2.91Å
827	F	66.4	Low	64.1	Low	51 Å²	51	68.4 Å²	68.4	22%	0.224	35%	0.352	C	S	.	.			trans	-113.2	170.5	178.7	-64.9	-89.3	0	0	0	110.4	Y818 C820 K825 N832 L833 H836	Y818-F827 PolarHBondContact O-N 3.06Å; C820-F827 HydrophobicContact CB-CE2 4.33Å; K825-F827 HydrophobicContact CB-CE2 3.82Å; K825-F827 HydrophobicContact CB-CZ 4.06Å; K825-F827 WeakPolarHBondContact O-CE2 3.4Å; F827-N832 HydrophobicContact CB-CB 4.32Å; F827-N832 HydrophobicContact CD1-CB 3.95Å; F827-N832 HydrophobicContact CG-CB 4.41Å; F827-L833 HydrophobicContact CB-CB 4.45Å; F827-L833 HydrophobicContact CD2-CB 4.09Å; F827-L833 HydrophobicContact CD2-CD1 3.95Å; F827-L833 HydrophobicContact CE2-CD1 4.17Å; F827-L833 HydrophobicContact CG-CB 4.38Å; F827-H836 HydrophobicContact CE1-CB 3.95Å; F827-H836 HydrophobicContact CE2-CB 4.03Å; F827-H836 AromaticContact CE2-CD2 3.18Å; F827-H836 WeakPolarHBondContact CE2-CD2 3.33Å; F827-H836 AromaticContact CE2-CG 3.68Å; F827-H836 AromaticContact CE2-NE2 3.89Å; F827-H836 HydrophobicContact CZ-CB 3.54Å; F827-H836 AromaticContact CZ-CD2 3.24Å; F827-H836 WeakPolarHBondContact CZ-CD2 3.41Å; F827-H836 AromaticContact CZ-CG 3.24Å; F827-H836 AromaticContact CZ-ND1 3.89Å; F827-H836 AromaticContact CZ-NE2 3.86Å
828	S	54.6	Low	64.6	Low	39 Å²	39	69 Å²	69	27%	0.273	35%	0.349	S	S	.	.	S	Bend	trans	-99.7	-6.8	174.7	48.1	0	0	0	0	113.6	R810	R810-S828 PolarHBondContact NH1-O 3.31Å
829	Y	56.8	Low	64.9	Low	92 Å²	92	70 Å²	70	36%	0.361	36%	0.36	S	S	.	.	S	Bend	trans	-148.3	138.8	-176.9	-60.4	-87.3	0	0	0	111.7	G807 S831 N832 L833	G807-Y829 VanDerWaalsContact CA-OH 3.31Å; G807-Y829 WeakPolarHBondContact CA-OH 3.46Å; Y829-S831 VanDerWaalsContact C-N 3.26Å; Y829-S831 PolarHBondContact O-N 3.39Å; Y829-N832 WeakPolarHBondContact O-CB 3.23Å; Y829-N832 PolarHBondContact O-N 3.46Å; Y829-L833 PolarHBondContact O-N 2.7Å
830	R	58.5	Low	65.5	Low	159 Å²	159	68.1 Å²	68.1	60%	0.6	35%	0.352	S	S	*	.	H	α-helix	trans	-58.8	-34.4	177.9	-165.3	175.9	177.4	125.8	3.9	113.3	Y818 N832 L833 I834	Y818-R830 HydrophobicContact CD1-CB 3.85Å; Y818-R830 HydrophobicContact CD1-CG 3.77Å; Y818-R830 HydrophobicContact CD2-CB 4.04Å; Y818-R830 VanDerWaalsContact CD2-N 3.34Å; Y818-R830 HydrophobicContact CE1-CB 3.67Å; Y818-R830 HydrophobicContact CE1-CG 3.69Å; Y818-R830 HydrophobicContact CE2-CB 3.88Å; Y818-R830 HydrophobicContact CG-CB 4.04Å; Y818-R830 HydrophobicContact CG-CG 4.37Å; R830-N832 PolarHBondContact O-N 3Å; R830-L833 PolarHBondContact O-N 3.14Å; R830-I834 HydrophobicContact CG-CD1 3.96Å; R830-I834 HydrophobicContact CG-CG1 4.42Å; R830-I834 WeakPolarHBondContact O-CG1 3.43Å; R830-I834 PolarHBondContact O-N 2.77Å
831	S	58.4	Low	65.4	Low	73 Å²	73	72 Å²	72	51%	0.51	38%	0.376	S	S	.	.	H	α-helix	trans	-57.4	-36.4	173.6	51.1	0	0	0	0	112.7	Y829 A835	Y829-S831 VanDerWaalsContact C-N 3.26Å; Y829-S831 PolarHBondContact O-N 3.39Å; S831-A835 VanDerWaalsContact O-CB 3.28Å; S831-A835 WeakPolarHBondContact O-CB 3.46Å; S831-A835 PolarHBondContact O-N 3.03Å
832	N	68.3	Low	65.3	Low	73 Å²	73	67.9 Å²	67.9	39%	0.39	36%	0.364	S	S	.	.	H	α-helix	trans	-82.7	-33.2	-175.5	-58.3	10.5	0	0	0	110.3	F827 Y829 R830 H836	F827-N832 HydrophobicContact CB-CB 4.32Å; F827-N832 HydrophobicContact CD1-CB 3.95Å; F827-N832 HydrophobicContact CG-CB 4.41Å; Y829-N832 WeakPolarHBondContact O-CB 3.23Å; Y829-N832 PolarHBondContact O-N 3.46Å; R830-N832 PolarHBondContact O-N 3Å; N832-H836 WeakPolarHBondContact O-CB 3.25Å; N832-H836 PolarHBondContact O-N 2.68Å
833	L	70.9	Confident	65.2	Low	16 Å²	16	67.9 Å²	67.9	8%	0.084	36%	0.361	C	S	.	.	H	α-helix	trans	-62.2	-52.6	166.9	174.4	61.6	0	0	0	110.9	K819 C820 F827 Y829 R830 A835 H836 Q837	K819-L833 WeakPolarHBondContact O-CD2 3.32Å; C820-L833 HydrophobicContact CB-CD1 3.49Å; C820-L833 VanDerWaalsContact CB-CD1 3.49Å; F827-L833 HydrophobicContact CB-CB 4.45Å; F827-L833 HydrophobicContact CD2-CB 4.09Å; F827-L833 HydrophobicContact CD2-CD1 3.95Å; F827-L833 HydrophobicContact CE2-CD1 4.17Å; F827-L833 HydrophobicContact CG-CB 4.38Å; Y829-L833 PolarHBondContact O-N 2.7Å; R830-L833 PolarHBondContact O-N 3.14Å; L833-A835 VanDerWaalsContact C-N 3.29Å; L833-A835 PolarHBondContact O-N 3.19Å; L833-H836 CarbonylContact O-C 3.56Å; L833-H836 WeakPolarHBondContact O-CA 3.47Å; L833-H836 WeakPolarHBondContact O-CB 3.33Å; L833-H836 PolarHBondContact O-N 2.79Å; L833-Q837 HydrophobicContact CD1-CG 3.86Å; L833-Q837 HydrophobicContact CG-CG 4.18Å; L833-Q837 WeakPolarHBondContact O-CG 3.43Å; L833-Q837 PolarHBondContact O-N 3.46Å
834	I	66.9	Low	65.2	Low	74 Å²	74	71.4 Å²	71.4	38%	0.379	37%	0.371	S	S	.	.	H	α-helix	trans	-58.7	-42.2	-179	-68.5	166.6	0	0	0	111	R830 H836 Q837	R830-I834 HydrophobicContact CG-CD1 3.96Å; R830-I834 HydrophobicContact CG-CG1 4.42Å; R830-I834 WeakPolarHBondContact O-CG1 3.43Å; R830-I834 PolarHBondContact O-N 2.77Å; I834-H836 PolarHBondContact O-N 2.95Å; I834-Q837 PolarHBondContact O-N 3.32Å
835	A	63.2	Low	65.5	Low	13 Å²	13	72.9 Å²	72.9	11%	0.107	37%	0.373	C	S	.	.	H	α-helix	trans	-73	-15.4	176.8	0	0	0	0	0	114	S831 L833 Y857	S831-A835 VanDerWaalsContact O-CB 3.28Å; S831-A835 WeakPolarHBondContact O-CB 3.46Å; S831-A835 PolarHBondContact O-N 3.03Å; L833-A835 VanDerWaalsContact C-N 3.29Å; L833-A835 PolarHBondContact O-N 3.19Å; A835-Y857 HydrophobicContact CB-CE1 3.64Å; A835-Y857 WeakPolarHBondContact CB-OH 3.4Å; A835-Y857 PolarHBondContact O-OH 3.02Å
836	H	72.9	Confident	65.7	Low	16 Å²	16	70.4 Å²	70.4	7%	0.074	36%	0.361	C	S	.	.	H	α-helix	trans	-87.6	-35.2	170.2	167.5	60.2	0	0	0	112.7	C820 C823 F827 N832 L833 I834 R838 I839 H840	C820-H836 PolarHBondContact SG-CD2 3.08Å; C823-H836 PolarHBondContact SG-NE2 3.1Å; F827-H836 HydrophobicContact CE1-CB 3.95Å; F827-H836 HydrophobicContact CE2-CB 4.03Å; F827-H836 AromaticContact CE2-CD2 3.18Å; F827-H836 WeakPolarHBondContact CE2-CD2 3.33Å; F827-H836 AromaticContact CE2-CG 3.68Å; F827-H836 AromaticContact CE2-NE2 3.89Å; F827-H836 HydrophobicContact CZ-CB 3.54Å; F827-H836 AromaticContact CZ-CD2 3.24Å; F827-H836 WeakPolarHBondContact CZ-CD2 3.41Å; F827-H836 AromaticContact CZ-CG 3.24Å; F827-H836 AromaticContact CZ-ND1 3.89Å; F827-H836 AromaticContact CZ-NE2 3.86Å; N832-H836 WeakPolarHBondContact O-CB 3.25Å; N832-H836 PolarHBondContact O-N 2.68Å; L833-H836 CarbonylContact O-C 3.56Å; L833-H836 WeakPolarHBondContact O-CA 3.47Å; L833-H836 WeakPolarHBondContact O-CB 3.33Å; L833-H836 PolarHBondContact O-N 2.79Å; I834-H836 PolarHBondContact O-N 2.95Å; H836-R838 PolarHBondContact O-N 2.93Å; H836-I839 WeakPolarHBondContact O-CB 3.04Å; H836-I839 WeakPolarHBondContact O-CG1 3.37Å; H836-I839 PolarHBondContact O-N 3.25Å; H836-H840 AromaticContact CD2-NE2 3.9Å; H836-H840 AromaticContact CE1-CE1 3.66Å; H836-H840 AromaticContact CE1-NE2 3.3Å; H836-H840 PolarHBondContact CE1-NE2 3.04Å; H836-H840 VanDerWaalsContact CE1-NE2 3.3Å; H836-H840 AromaticContact NE2-CE1 3.83Å; H836-H840 AromaticContact NE2-NE2 3.06Å; H836-H840 PolarHBondContact NE2-NE2 3.4Å
837	Q	68.9	Low	66.1	Low	65 Å²	65	69.3 Å²	69.3	30%	0.304	36%	0.36	S	S	.	.	H	α-helix	trans	-60	-31.3	176.7	-73	175.5	-72.3	0	0	112	L833 I834 I839 H840 T841	L833-Q837 HydrophobicContact CD1-CG 3.86Å; L833-Q837 HydrophobicContact CG-CG 4.18Å; L833-Q837 WeakPolarHBondContact O-CG 3.43Å; L833-Q837 PolarHBondContact O-N 3.46Å; I834-Q837 PolarHBondContact O-N 3.32Å; Q837-I839 PolarHBondContact O-N 3.41Å; Q837-H840 WeakPolarHBondContact O-CA 3.5Å; Q837-H840 PolarHBondContact O-N 3.1Å; Q837-T841 PolarHBondContact O-N 3.42Å; Q837-T841 PolarHBondContact O-OG1 3.14Å
838	R	75.8	Confident	66.3	Low	47 Å²	47	66.9 Å²	66.9	18%	0.177	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-13.1	168.9	-65	178.4	-178	171.2	0.4	115.3	H836 G842 E843 T856	H836-R838 PolarHBondContact O-N 2.93Å; R838-G842 CarbonylContact O-C 3.58Å; R838-G842 PolarHBondContact O-N 3.1Å; R838-E843 HydrophobicContact CB-CB 4.38Å; R838-E843 HydrophobicContact CG-CB 4.12Å; R838-T856 HydrophobicContact CB-CG2 4.38Å; R838-T856 PolarHBondContact NH1-O 3.46Å; R838-T856 VanDerWaalsContact NH1-O 3.08Å
839	I	67	Low	66.9	Low	116 Å²	116	72.5 Å²	72.5	60%	0.595	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-29.3	172.4	-55.2	-179.2	0	0	0	110.4	H836 Q837	H836-I839 WeakPolarHBondContact O-CB 3.04Å; H836-I839 WeakPolarHBondContact O-CG1 3.37Å; H836-I839 PolarHBondContact O-N 3.25Å; Q837-I839 PolarHBondContact O-N 3.41Å
840	H	68.9	Low	67.4	Low	76 Å²	76	73.3 Å²	73.3	35%	0.352	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-45.2	179	-50.7	-48.5	0	0	0	111.7	C820 D822 C823 H836 Q837 G842	C820-H840 VanDerWaalsContact SG-CD2 3.55Å; C820-H840 PolarHBondContact SG-NE2 3.37Å; D822-H840 HydrophobicContact CB-CB 4.21Å; D822-H840 IonicContact OD2-CD2 3.18Å; D822-H840 PolarHBondContact OD2-CD2 3.06Å; D822-H840 IonicContact OD2-CG 3.14Å; C823-H840 VanDerWaalsContact SG-CE1 3.5Å; C823-H840 PolarHBondContact SG-NE2 3.29Å; C823-H840 VanDerWaalsContact SG-NE2 3.42Å; H836-H840 AromaticContact CD2-NE2 3.9Å; H836-H840 AromaticContact CE1-CE1 3.66Å; H836-H840 AromaticContact CE1-NE2 3.3Å; H836-H840 PolarHBondContact CE1-NE2 3.04Å; H836-H840 VanDerWaalsContact CE1-NE2 3.3Å; H836-H840 AromaticContact NE2-CE1 3.83Å; H836-H840 AromaticContact NE2-NE2 3.06Å; H836-H840 PolarHBondContact NE2-NE2 3.4Å; Q837-H840 WeakPolarHBondContact O-CA 3.5Å; Q837-H840 PolarHBondContact O-N 3.1Å; H840-G842 PolarHBondContact O-N 3.3Å
841	T	63.5	Low	68	Low	83 Å²	83	67.9 Å²	67.9	51%	0.509	37%	0.369	S	S	.	.	S	Bend	trans	-73.8	-9.2	175.1	65.2	0	0	0	0	113.2	Q837 E843	Q837-T841 PolarHBondContact O-N 3.42Å; Q837-T841 PolarHBondContact O-OG1 3.14Å; T841-E843 WeakPolarHBondContact CB-OE1 3.5Å; T841-E843 PolarHBondContact O-N 3.23Å; T841-E843 VanDerWaalsContact OG1-CD 3.27Å; T841-E843 WeakPolarHBondContact OG1-CG 3.4Å; T841-E843 PolarHBondContact OG1-OE1 3.43Å
842	G	66	Low	68.2	Low	43 Å²	43	67.4 Å²	67.4	44%	0.443	38%	0.376	S	S	.	.			trans	67.4	-0.9	-177.8	0	0	0	0	0	115.1	R838 H840 K844	R838-G842 CarbonylContact O-C 3.58Å; R838-G842 PolarHBondContact O-N 3.1Å; H840-G842 PolarHBondContact O-N 3.3Å; G842-K844 VanDerWaalsContact O-CG 3.3Å; G842-K844 WeakPolarHBondContact O-CG 3.4Å; G842-K844 PolarHBondContact O-N 3.49Å
843	E	63.3	Low	68.3	Low	98 Å²	98	69.7 Å²	69.7	46%	0.458	38%	0.382	S	S	.	.			trans	-53.3	131.9	-176.9	-81.9	167.8	-117.1	0	0	113.2	R838 T841 P845 T856	R838-E843 HydrophobicContact CB-CB 4.38Å; R838-E843 HydrophobicContact CG-CB 4.12Å; T841-E843 WeakPolarHBondContact CB-OE1 3.5Å; T841-E843 PolarHBondContact O-N 3.23Å; T841-E843 VanDerWaalsContact OG1-CD 3.27Å; T841-E843 WeakPolarHBondContact OG1-CG 3.4Å; T841-E843 PolarHBondContact OG1-OE1 3.43Å; E843-P845 HydrophobicContact CB-CG 4.46Å; E843-T856 WeakPolarHBondContact O-CG2 3.29Å
844	K	70.8	Confident	68.1	Low	127 Å²	127	70.1 Å²	70.1	55%	0.552	39%	0.391	S	S	*	.			trans	-127.7	73.5	176.3	-51	-173.4	-161.7	159.8	0	111	G842 Y846 G854 F855 T856	G842-K844 VanDerWaalsContact O-CG 3.3Å; G842-K844 WeakPolarHBondContact O-CG 3.4Å; G842-K844 PolarHBondContact O-N 3.49Å; K844-Y846 PolarHBondContact O-N 3.21Å; K844-G854 VanDerWaalsContact CD-O 3.23Å; K844-G854 WeakPolarHBondContact CD-O 3.06Å; K844-F855 CarbonylContact C-O 3.58Å; K844-F855 VanDerWaalsContact C-O 3.22Å; K844-F855 WeakPolarHBondContact CA-O 3.46Å; K844-T856 HydrophobicContact CG-CG2 4.38Å
845	P	69.9	Low	68.4	Low	67 Å²	67	68.9 Å²	68.9	44%	0.435	38%	0.382	S	S	.	.			trans	-67.2	-3.1	-168.1	-22	35.5	0	0	0	115.7	E843	E843-P845 HydrophobicContact CB-CG 4.46Å
846	Y	69.9	Low	68.4	Low	75 Å²	75	70 Å²	70	29%	0.294	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	81.5	-179.4	-52.3	-71.9	0	0	0	108.9	K844 F855 Y857 N858	K844-Y846 PolarHBondContact O-N 3.21Å; Y846-F855 WeakPolarHBondContact CD2-O 3.5Å; Y846-F855 PolarHBondContact N-O 3.16Å; Y846-F855 PolarHBondContact O-N 2.69Å; Y846-Y857 VanDerWaalsContact CD2-C 3.4Å; Y846-N858 HydrophobicContact CD1-CB 3.81Å; Y846-N858 HydrophobicContact CD2-CB 4.38Å; Y846-N858 VanDerWaalsContact CD2-N 3.29Å; Y846-N858 HydrophobicContact CE1-CB 3.79Å; Y846-N858 HydrophobicContact CE2-CB 4.33Å; Y846-N858 HydrophobicContact CG-CB 4.12Å
847	A	67.6	Low	68.1	Low	52 Å²	52	74.1 Å²	74.1	43%	0.43	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	145.8	173.7	0	0	0	0	0	111.4	L861	A847-L861 WeakPolarHBondContact O-CD2 3.31Å
848	C	69.1	Low	67.7	Low	1 Å²	1	74.7 Å²	74.7	1%	0.007	41%	0.409	C	S	.	.			trans	-89	117	168.6	176.4	0	0	0	0	109.9	E850 C851 G852 K853 F855 L861 H868	C848-E850 PolarHBondContact O-N 3.01Å; C848-C851 PolarHBondContact O-N 3.05Å; C848-C851 VanDerWaalsContact SG-SG 3.62Å; C848-G852 WeakPolarHBondContact O-CA 3.19Å; C848-G852 PolarHBondContact O-N 3Å; C848-K853 PolarHBondContact N-O 3.4Å; C848-F855 HydrophobicContact CB-CE2 4.46Å; C848-L861 HydrophobicContact CB-CD1 3.56Å; C848-H868 PolarHBondContact SG-CD2 2.96Å; C848-H868 PolarHBondContact SG-NE2 3.27Å
849	N	68.5	Low	67.3	Low	156 Å²	156	82 Å²	82	83%	0.834	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-27.3	-177.9	-60.7	7.3	0	0	0	112.9
850	E	66.2	Low	67.6	Low	109 Å²	109	79.7 Å²	79.7	51%	0.509	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-15.8	-174.5	-60.7	146.6	120.5	0	0	113.5	C848 H868	C848-E850 PolarHBondContact O-N 3.01Å; E850-H868 WeakPolarHBondContact OE1-CB 3.37Å; E850-H868 IonicContact OE2-CD2 3.85Å; E850-H868 PolarHBondContact OE2-CD2 3.42Å; E850-H868 VanDerWaalsContact OE2-CD2 3.31Å; E850-H868 IonicContact OE2-CG 3.31Å
851	C	70.8	Confident	67.7	Low	46 Å²	46	76.7 Å²	76.7	31%	0.311	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.6	9.1	-175.6	77.2	0	0	0	0	115.8	C848 K853 H864 H868	C848-C851 PolarHBondContact O-N 3.05Å; C848-C851 VanDerWaalsContact SG-SG 3.62Å; C851-K853 PolarHBondContact O-N 2.98Å; C851-H864 PolarHBondContact SG-NE2 3.14Å; C851-H868 PolarHBondContact SG-NE2 3.32Å
852	G	64.1	Low	67.8	Low	63 Å²	63	76.3 Å²	76.3	65%	0.649	41%	0.406	S	S	*	.			trans	67.7	-5.4	179.2	0	0	0	0	0	116.1	C848 G854	C848-G852 WeakPolarHBondContact O-CA 3.19Å; C848-G852 PolarHBondContact O-N 3Å; G852-G854 PolarHBondContact O-N 2.68Å; G852-G854 VanDerWaalsContact O-N 3.12Å
853	K	69.5	Low	67.7	Low	121 Å²	121	77.2 Å²	77.2	53%	0.526	40%	0.399	S	S	.	.			trans	-68.7	114.2	-175.3	-71.4	171.7	-173.2	155.4	0	111	C848 C851 F855	C848-K853 PolarHBondContact N-O 3.4Å; C851-K853 PolarHBondContact O-N 2.98Å; K853-F855 HydrophobicContact CB-CE2 3.86Å; K853-F855 HydrophobicContact CB-CZ 4.16Å; K853-F855 VanDerWaalsContact O-CD2 3.26Å; K853-F855 WeakPolarHBondContact O-CD2 3.45Å; K853-F855 WeakPolarHBondContact O-CE2 3.08Å
854	G	67.4	Low	68.1	Low	25 Å²	25	73.6 Å²	73.6	26%	0.258	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	140.9	172.1	0	0	0	0	0	113.3	K844 G852	K844-G854 VanDerWaalsContact CD-O 3.23Å; K844-G854 WeakPolarHBondContact CD-O 3.06Å; G852-G854 PolarHBondContact O-N 2.68Å; G852-G854 VanDerWaalsContact O-N 3.12Å
855	F	73.8	Confident	67.8	Low	47 Å²	47	70.5 Å²	70.5	21%	0.206	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	148.1	171.2	-62.3	-90.4	0	0	0	111.9	K844 Y846 C848 K853 N860 L861 H864	K844-F855 CarbonylContact C-O 3.58Å; K844-F855 VanDerWaalsContact C-O 3.22Å; K844-F855 WeakPolarHBondContact CA-O 3.46Å; Y846-F855 WeakPolarHBondContact CD2-O 3.5Å; Y846-F855 PolarHBondContact N-O 3.16Å; Y846-F855 PolarHBondContact O-N 2.69Å; C848-F855 HydrophobicContact CB-CE2 4.46Å; K853-F855 HydrophobicContact CB-CE2 3.86Å; K853-F855 HydrophobicContact CB-CZ 4.16Å; K853-F855 VanDerWaalsContact O-CD2 3.26Å; K853-F855 WeakPolarHBondContact O-CD2 3.45Å; K853-F855 WeakPolarHBondContact O-CE2 3.08Å; F855-N860 HydrophobicContact CB-CB 4.26Å; F855-N860 HydrophobicContact CD1-CB 3.85Å; F855-N860 HydrophobicContact CG-CB 4.32Å; F855-L861 HydrophobicContact CB-CB 4.29Å; F855-L861 HydrophobicContact CD2-CB 4.09Å; F855-L861 HydrophobicContact CD2-CD1 4.01Å; F855-L861 HydrophobicContact CE2-CD1 4.35Å; F855-L861 HydrophobicContact CG-CB 4.36Å; F855-H864 HydrophobicContact CE1-CB 4.07Å; F855-H864 HydrophobicContact CE2-CB 3.79Å; F855-H864 AromaticContact CE2-CD2 3.29Å; F855-H864 WeakPolarHBondContact CE2-CD2 3.08Å; F855-H864 AromaticContact CE2-CG 3.64Å; F855-H864 HydrophobicContact CZ-CB 3.48Å; F855-H864 VanDerWaalsContact CZ-CB 3.48Å; F855-H864 AromaticContact CZ-CD2 3.35Å; F855-H864 WeakPolarHBondContact CZ-CD2 3.35Å; F855-H864 AromaticContact CZ-CG 3.29Å; F855-H864 AromaticContact CZ-ND1 3.98Å
856	T	62.3	Low	67.8	Low	38 Å²	38	70.3 Å²	70.3	23%	0.233	36%	0.36	C	S	.	.	S	Bend	trans	-77.6	-19.6	178.3	44.6	0	0	0	0	113.6	R838 E843 K844	R838-T856 HydrophobicContact CB-CG2 4.38Å; R838-T856 PolarHBondContact NH1-O 3.46Å; R838-T856 VanDerWaalsContact NH1-O 3.08Å; E843-T856 WeakPolarHBondContact O-CG2 3.29Å; K844-T856 HydrophobicContact CG-CG2 4.38Å
857	Y	66.5	Low	67.5	Low	102 Å²	102	71.8 Å²	71.8	40%	0.4	37%	0.372	S	S	.	.	S	Bend	trans	-136.2	135.4	-178.2	-64.2	-93.6	0	0	0	111.6	A835 Y846 R859 N860 L861	A835-Y857 HydrophobicContact CB-CE1 3.64Å; A835-Y857 WeakPolarHBondContact CB-OH 3.4Å; A835-Y857 PolarHBondContact O-OH 3.02Å; Y846-Y857 VanDerWaalsContact CD2-C 3.4Å; Y857-R859 VanDerWaalsContact C-N 3.29Å; Y857-R859 PolarHBondContact O-N 3.06Å; Y857-N860 WeakPolarHBondContact O-CB 3.23Å; Y857-N860 PolarHBondContact O-N 3.21Å; Y857-L861 PolarHBondContact O-N 3.03Å
858	N	61.2	Low	67.3	Low	77 Å²	77	72.9 Å²	72.9	41%	0.412	37%	0.368	S	S	.	.	H	α-helix	trans	-59.7	-34.2	-179.2	-166.5	34	0	0	0	113.8	Y846 N860 L861 I862	Y846-N858 HydrophobicContact CD1-CB 3.81Å; Y846-N858 HydrophobicContact CD2-CB 4.38Å; Y846-N858 VanDerWaalsContact CD2-N 3.29Å; Y846-N858 HydrophobicContact CE1-CB 3.79Å; Y846-N858 HydrophobicContact CE2-CB 4.33Å; Y846-N858 HydrophobicContact CG-CB 4.12Å; N858-N860 PolarHBondContact O-N 2.85Å; N858-L861 PolarHBondContact O-N 2.8Å; N858-I862 WeakPolarHBondContact O-CG1 3.07Å; N858-I862 PolarHBondContact O-N 2.92Å
859	R	66.3	Low	66.9	Low	201 Å²	201	75.8 Å²	75.8	76%	0.758	39%	0.388	S	S	*	.	H	α-helix	trans	-57.6	-37	173.8	174.1	177.7	-78.9	-168.5	-4.4	111.8	Y857 I862 E863	Y857-R859 VanDerWaalsContact C-N 3.29Å; Y857-R859 PolarHBondContact O-N 3.06Å; R859-I862 PolarHBondContact O-N 2.91Å; R859-E863 WeakPolarHBondContact O-CB 3.49Å; R859-E863 PolarHBondContact O-N 3.06Å
860	N	73.1	Confident	66.3	Low	66 Å²	66	70.8 Å²	70.8	35%	0.353	37%	0.373	S	S	.	.	H	α-helix	trans	-76.8	-32.2	-177.1	-57.1	7.1	0	0	0	110.8	F855 Y857 N858 H864	F855-N860 HydrophobicContact CB-CB 4.26Å; F855-N860 HydrophobicContact CD1-CB 3.85Å; F855-N860 HydrophobicContact CG-CB 4.32Å; Y857-N860 WeakPolarHBondContact O-CB 3.23Å; Y857-N860 PolarHBondContact O-N 3.21Å; N858-N860 PolarHBondContact O-N 2.85Å; N860-H864 VanDerWaalsContact O-CB 3.31Å; N860-H864 WeakPolarHBondContact O-CB 3.37Å; N860-H864 PolarHBondContact O-N 3.47Å
861	L	71.1	Confident	65.8	Low	14 Å²	14	71 Å²	71	7%	0.073	37%	0.374	C	S	.	.	H	α-helix	trans	-62.6	-48.5	167.9	172.6	60.7	0	0	0	110.6	A847 C848 F855 Y857 N858 E863 H864 Q865	A847-L861 WeakPolarHBondContact O-CD2 3.31Å; C848-L861 HydrophobicContact CB-CD1 3.56Å; F855-L861 HydrophobicContact CB-CB 4.29Å; F855-L861 HydrophobicContact CD2-CB 4.09Å; F855-L861 HydrophobicContact CD2-CD1 4.01Å; F855-L861 HydrophobicContact CE2-CD1 4.35Å; F855-L861 HydrophobicContact CG-CB 4.36Å; Y857-L861 PolarHBondContact O-N 3.03Å; N858-L861 PolarHBondContact O-N 2.8Å; L861-E863 VanDerWaalsContact C-N 3.34Å; L861-E863 PolarHBondContact O-N 3.02Å; L861-H864 CarbonylContact O-C 3.56Å; L861-H864 WeakPolarHBondContact O-CA 3.37Å; L861-H864 WeakPolarHBondContact O-CB 3.31Å; L861-H864 PolarHBondContact O-N 3.42Å; L861-Q865 HydrophobicContact CD1-CG 3.88Å; L861-Q865 HydrophobicContact CG-CG 4.3Å; L861-Q865 WeakPolarHBondContact O-CG 3.36Å; L861-Q865 PolarHBondContact O-N 3.15Å
862	I	66.4	Low	65	Low	75 Å²	75	77.2 Å²	77.2	39%	0.385	40%	0.396	S	S	.	.	H	α-helix	trans	-63.7	-37.2	178.7	-64.8	164.2	0	0	0	111.8	N858 R859 H864 R866	N858-I862 WeakPolarHBondContact O-CG1 3.07Å; N858-I862 PolarHBondContact O-N 2.92Å; R859-I862 PolarHBondContact O-N 2.91Å; I862-H864 VanDerWaalsContact C-N 3.27Å; I862-H864 PolarHBondContact O-N 3.13Å; I862-R866 WeakPolarHBondContact O-CG 3.15Å
863	E	64.6	Low	64.8	Low	62 Å²	62	77 Å²	77	29%	0.29	38%	0.382	S	S	.	.	H	α-helix	trans	-67.5	-27.3	171.9	-172.5	170.5	146.8	0	0	112.2	R859 L861 S885	R859-E863 WeakPolarHBondContact O-CB 3.49Å; R859-E863 PolarHBondContact O-N 3.06Å; L861-E863 VanDerWaalsContact C-N 3.34Å; L861-E863 PolarHBondContact O-N 3.02Å; E863-S885 VanDerWaalsContact OE1-CB 3.27Å; E863-S885 WeakPolarHBondContact OE1-CB 3.37Å; E863-S885 PolarHBondContact OE1-OG 3.29Å; E863-S885 WeakPolarHBondContact OE2-CB 3.46Å; E863-S885 PolarHBondContact OE2-OG 3.28Å
864	H	69.9	Low	64.3	Low	22 Å²	22	75.1 Å²	75.1	10%	0.102	37%	0.372	C	S	.	.	H	α-helix	trans	-81.2	-39.9	176.4	-176.4	51.3	0	0	0	113.6	C851 F855 N860 L861 I862 R866 I867 H868	C851-H864 PolarHBondContact SG-NE2 3.14Å; F855-H864 HydrophobicContact CE1-CB 4.07Å; F855-H864 HydrophobicContact CE2-CB 3.79Å; F855-H864 AromaticContact CE2-CD2 3.29Å; F855-H864 WeakPolarHBondContact CE2-CD2 3.08Å; F855-H864 AromaticContact CE2-CG 3.64Å; F855-H864 HydrophobicContact CZ-CB 3.48Å; F855-H864 VanDerWaalsContact CZ-CB 3.48Å; F855-H864 AromaticContact CZ-CD2 3.35Å; F855-H864 WeakPolarHBondContact CZ-CD2 3.35Å; F855-H864 AromaticContact CZ-CG 3.29Å; F855-H864 AromaticContact CZ-ND1 3.98Å; N860-H864 VanDerWaalsContact O-CB 3.31Å; N860-H864 WeakPolarHBondContact O-CB 3.37Å; N860-H864 PolarHBondContact O-N 3.47Å; L861-H864 CarbonylContact O-C 3.56Å; L861-H864 WeakPolarHBondContact O-CA 3.37Å; L861-H864 WeakPolarHBondContact O-CB 3.31Å; L861-H864 PolarHBondContact O-N 3.42Å; I862-H864 VanDerWaalsContact C-N 3.27Å; I862-H864 PolarHBondContact O-N 3.13Å; H864-R866 PolarHBondContact O-N 2.91Å; H864-I867 WeakPolarHBondContact O-CB 3.29Å; H864-I867 WeakPolarHBondContact O-CG1 3.44Å; H864-I867 PolarHBondContact O-N 3.36Å; H864-H868 AromaticContact CD2-NE2 3.95Å; H864-H868 AromaticContact CE1-NE2 3.93Å; H864-H868 AromaticContact NE2-NE2 3.41Å; H864-H868 PolarHBondContact NE2-NE2 2.79Å
865	Q	65.8	Low	63.8	Low	62 Å²	62	78.2 Å²	78.2	29%	0.29	38%	0.38	S	S	.	.	H	α-helix	trans	-60.3	-31	178.5	-72.6	174.5	-68.8	0	0	111.9	L861 I867 H868 S869	L861-Q865 HydrophobicContact CD1-CG 3.88Å; L861-Q865 HydrophobicContact CG-CG 4.3Å; L861-Q865 WeakPolarHBondContact O-CG 3.36Å; L861-Q865 PolarHBondContact O-N 3.15Å; Q865-I867 PolarHBondContact O-N 3.02Å; Q865-I867 VanDerWaalsContact O-N 3.08Å; Q865-H868 PolarHBondContact O-N 3.35Å; Q865-S869 PolarHBondContact O-N 3.38Å; Q865-S869 PolarHBondContact O-OG 2.87Å
866	R	69.4	Low	63.3	Low	62 Å²	62	76 Å²	76	23%	0.234	37%	0.37	C	S	.	.	H	α-helix	trans	-61.1	-12.8	170.6	-67.4	169.7	-176.5	-145.6	-9.2	115.1	I862 H864 S869 T873	I862-R866 WeakPolarHBondContact O-CG 3.15Å; H864-R866 PolarHBondContact O-N 2.91Å; R866-S869 WeakPolarHBondContact CA-OG 3.39Å; R866-T873 PolarHBondContact NH1-OG1 3.29Å; R866-T873 VanDerWaalsContact NH1-OG1 3.1Å
867	I	63.3	Low	63.3	Low	107 Å²	107	81.5 Å²	81.5	55%	0.549	40%	0.397	S	S	.	.	H	α-helix	trans	-83.1	-27.2	172.9	-52.6	-177.4	0	0	0	110.5	H864 Q865 T884	H864-I867 WeakPolarHBondContact O-CB 3.29Å; H864-I867 WeakPolarHBondContact O-CG1 3.44Å; H864-I867 PolarHBondContact O-N 3.36Å; Q865-I867 PolarHBondContact O-N 3.02Å; Q865-I867 VanDerWaalsContact O-N 3.08Å; I867-T884 HydrophobicContact CG1-CG2 4.3Å
868	H	64.2	Low	63.3	Low	75 Å²	75	81.9 Å²	81.9	35%	0.347	41%	0.405	S	S	.	.	H	α-helix	trans	-90.3	-46.1	175.9	-54.4	-54.8	0	0	0	111.8	C848 E850 C851 H864 Q865 G870	C848-H868 PolarHBondContact SG-CD2 2.96Å; C848-H868 PolarHBondContact SG-NE2 3.27Å; E850-H868 WeakPolarHBondContact OE1-CB 3.37Å; E850-H868 IonicContact OE2-CD2 3.85Å; E850-H868 PolarHBondContact OE2-CD2 3.42Å; E850-H868 VanDerWaalsContact OE2-CD2 3.31Å; E850-H868 IonicContact OE2-CG 3.31Å; C851-H868 PolarHBondContact SG-NE2 3.32Å; H864-H868 AromaticContact CD2-NE2 3.95Å; H864-H868 AromaticContact CE1-NE2 3.93Å; H864-H868 AromaticContact NE2-NE2 3.41Å; H864-H868 PolarHBondContact NE2-NE2 2.79Å; Q865-H868 PolarHBondContact O-N 3.35Å; H868-G870 PolarHBondContact O-N 3.04Å
869	S	59.7	Low	63.8	Low	62 Å²	62	81 Å²	81	43%	0.434	40%	0.404	S	S	.	.	S	Bend	trans	-70.2	-12.1	178.6	69.7	0	0	0	0	114.2	Q865 R866 E871	Q865-S869 PolarHBondContact O-N 3.38Å; Q865-S869 PolarHBondContact O-OG 2.87Å; R866-S869 WeakPolarHBondContact CA-OG 3.39Å; S869-E871 PolarHBondContact O-N 3.15Å; S869-E871 VanDerWaalsContact O-N 3.13Å; S869-E871 WeakPolarHBondContact OG-CG 3.34Å; S869-E871 PolarHBondContact OG-OE2 3.19Å
870	G	57.8	Low	63.5	Low	50 Å²	50	81 Å²	81	52%	0.515	40%	0.404	S	S	.	.			trans	66.7	7.7	-178.7	0	0	0	0	0	115.2	H868 K872	H868-G870 PolarHBondContact O-N 3.04Å; G870-K872 PolarHBondContact O-N 3.07Å
871	E	54.8	Low	62.9	Low	114 Å²	114	83.9 Å²	83.9	53%	0.533	41%	0.414	S	S	.	.			trans	-63.3	98	-170.8	-77.3	178.5	118	0	0	114	S869 T873	S869-E871 PolarHBondContact O-N 3.15Å; S869-E871 VanDerWaalsContact O-N 3.13Å; S869-E871 WeakPolarHBondContact OG-CG 3.34Å; S869-E871 PolarHBondContact OG-OE2 3.19Å; E871-T873 HydrophobicContact CB-CG2 4.33Å; E871-T873 PolarHBondContact O-N 3.35Å; E871-T873 PolarHBondContact O-OG1 3.21Å
872	K	54.3	Low	62.2	Low	177 Å²	177	85.6 Å²	85.6	77%	0.77	43%	0.425	S	S	*	.			trans	-66.9	89	176.5	-73.6	178.6	-179.3	173.2	0	111.6	G870 V882	G870-K872 PolarHBondContact O-N 3.07Å; K872-V882 HydrophobicContact CB-CG1 3.75Å; K872-V882 HydrophobicContact CB-CG2 4.42Å; K872-V882 HydrophobicContact CD-CG2 4.37Å; K872-V882 HydrophobicContact CG-CB 4.37Å; K872-V882 HydrophobicContact CG-CG1 3.96Å; K872-V882 HydrophobicContact CG-CG2 4.34Å
873	T	58.6	Low	62.2	Low	58 Å²	58	84 Å²	84	36%	0.356	42%	0.417	S	S	.	.			trans	-109.2	-16.4	-170.3	43.3	0	0	0	0	116.7	R866 E871	R866-T873 PolarHBondContact NH1-OG1 3.29Å; R866-T873 VanDerWaalsContact NH1-OG1 3.1Å; E871-T873 HydrophobicContact CB-CG2 4.33Å; E871-T873 PolarHBondContact O-N 3.35Å; E871-T873 PolarHBondContact O-OG1 3.21Å
874	Y	59.5	Low	62	Low	82 Å²	82	83.3 Å²	83.3	32%	0.322	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	91.5	177.2	-58.7	-69.3	0	0	0	111.6	V882 L883 S886	Y874-V882 WeakPolarHBondContact O-CA 3.13Å; Y874-L883 WeakPolarHBondContact CB-O 3.4Å; Y874-L883 PolarHBondContact N-O 3.23Å; Y874-L883 PolarHBondContact O-N 3.31Å; Y874-S886 VanDerWaalsContact CD2-N 3.28Å; Y874-S886 VanDerWaalsContact CE2-N 3.35Å
875	E	56.7	Low	61.6	Low	89 Å²	89	83.1 Å²	83.1	42%	0.416	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	140.5	174.4	-172.4	174.4	165.1	0	0	112	R880 V882 L889	E875-R880 WeakPolarHBondContact OE1-CA 3.48Å; E875-R880 VanDerWaalsContact OE1-CB 3.23Å; E875-R880 WeakPolarHBondContact OE1-CB 3.34Å; E875-R880 WeakPolarHBondContact OE1-CG 3.44Å; E875-V882 HydrophobicContact CB-CG2 4.22Å; E875-V882 HydrophobicContact CG-CG2 4.24Å; E875-L889 WeakPolarHBondContact O-CD2 3.4Å
876	C	64.6	Low	61.4	Low	0 Å²	0	83 Å²	83	0%	0	42%	0.424	C	S	.	.			trans	-85.5	105.9	167	-168.4	0	0	0	0	110.8	I878 C879 R880 K881 L889 H896	C876-I878 PolarHBondContact O-N 3.48Å; C876-C879 PolarHBondContact O-N 3.5Å; C876-C879 VanDerWaalsContact O-N 3.08Å; C876-R880 VanDerWaalsContact O-CA 3.29Å; C876-R880 WeakPolarHBondContact O-CA 3.42Å; C876-R880 PolarHBondContact O-N 2.99Å; C876-K881 PolarHBondContact N-O 3.31Å; C876-L889 HydrophobicContact CB-CD1 3.56Å; C876-H896 PolarHBondContact SG-CD2 2.79Å; C876-H896 PolarHBondContact SG-NE2 3.23Å; C876-H896 VanDerWaalsContact SG-NE2 3.41Å
877	L	60.8	Low	61.2	Low	154 Å²	154	89.2 Å²	89.2	81%	0.806	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-22.7	-178	-60.1	176.5	0	0	0	114.9
878	I	67.3	Low	61.5	Low	111 Å²	111	87.6 Å²	87.6	57%	0.569	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-32.6	-177.8	-58.9	171	0	0	0	112.5	C876 H896	C876-I878 PolarHBondContact O-N 3.48Å; I878-H896 HydrophobicContact CB-CB 4.47Å; I878-H896 HydrophobicContact CD1-CB 3.63Å; I878-H896 HydrophobicContact CG2-CB 4.04Å
879	C	71.8	Confident	61.9	Low	58 Å²	58	84.9 Å²	84.9	39%	0.392	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.5	13	-175.4	73.7	0	0	0	0	114.8	C876 K881 H892 H896	C876-C879 PolarHBondContact O-N 3.5Å; C876-C879 VanDerWaalsContact O-N 3.08Å; C879-K881 PolarHBondContact O-N 3.29Å; C879-K881 VanDerWaalsContact SG-CB 3.55Å; C879-H892 PolarHBondContact SG-NE2 3.02Å; C879-H896 PolarHBondContact SG-CE1 2.58Å; C879-H896 PolarHBondContact SG-NE2 3.18Å
880	R	60.8	Low	62.2	Low	200 Å²	200	87 Å²	87	76%	0.755	43%	0.433	S	S	*	.			trans	52.1	14.4	-178.3	-54.4	-162.8	176.9	142.5	0.4	116	E875 C876 V882	E875-R880 WeakPolarHBondContact OE1-CA 3.48Å; E875-R880 VanDerWaalsContact OE1-CB 3.23Å; E875-R880 WeakPolarHBondContact OE1-CB 3.34Å; E875-R880 WeakPolarHBondContact OE1-CG 3.44Å; C876-R880 VanDerWaalsContact O-CA 3.29Å; C876-R880 WeakPolarHBondContact O-CA 3.42Å; C876-R880 PolarHBondContact O-N 2.99Å; R880-V882 PolarHBondContact O-N 2.98Å
881	K	58.6	Low	62.8	Low	127 Å²	127	86.4 Å²	86.4	55%	0.552	42%	0.418	S	S	*	.			trans	-74.5	112.8	179	-171	164.1	-168.7	154.6	0	110.3	C876 C879	C876-K881 PolarHBondContact N-O 3.31Å; C879-K881 PolarHBondContact O-N 3.29Å; C879-K881 VanDerWaalsContact SG-CB 3.55Å
882	V	57.6	Low	63.7	Low	51 Å²	51	82.2 Å²	82.2	31%	0.309	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	140	177.8	-169.9	0	0	0	0	111.4	K872 Y874 E875 R880	K872-V882 HydrophobicContact CB-CG1 3.75Å; K872-V882 HydrophobicContact CB-CG2 4.42Å; K872-V882 HydrophobicContact CD-CG2 4.37Å; K872-V882 HydrophobicContact CG-CB 4.37Å; K872-V882 HydrophobicContact CG-CG1 3.96Å; K872-V882 HydrophobicContact CG-CG2 4.34Å; Y874-V882 WeakPolarHBondContact O-CA 3.13Å; E875-V882 HydrophobicContact CB-CG2 4.22Å; E875-V882 HydrophobicContact CG-CG2 4.24Å; R880-V882 PolarHBondContact O-N 2.98Å
883	L	67	Low	64.4	Low	41 Å²	41	77.3 Å²	77.3	22%	0.215	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	148.6	-178.9	-66.3	166.1	0	0	0	110.4	Y874 S885 L889 H892	Y874-L883 WeakPolarHBondContact CB-O 3.4Å; Y874-L883 PolarHBondContact N-O 3.23Å; Y874-L883 PolarHBondContact O-N 3.31Å; L883-S885 VanDerWaalsContact C-N 3.27Å; L883-S885 PolarHBondContact O-N 3.05Å; L883-L889 HydrophobicContact CD1-CB 4.24Å; L883-L889 HydrophobicContact CD1-CD1 4.31Å; L883-H892 HydrophobicContact CD1-CB 3.58Å
884	T	59.3	Low	65.3	Low	48 Å²	48	76.7 Å²	76.7	29%	0.294	37%	0.37	S	S	.	.	S	Bend	trans	-73.8	-14	-175	52.3	0	0	0	0	114.6	I867	I867-T884 HydrophobicContact CG1-CG2 4.3Å
885	S	61.9	Low	65.8	Low	17 Å²	17	78.5 Å²	78.5	12%	0.119	38%	0.384	C	S	.	.			trans	-147.7	132.1	-169.9	-168.9	0	0	0	0	112.4	E863 L883 R887 N888 L889	E863-S885 VanDerWaalsContact OE1-CB 3.27Å; E863-S885 WeakPolarHBondContact OE1-CB 3.37Å; E863-S885 PolarHBondContact OE1-OG 3.29Å; E863-S885 WeakPolarHBondContact OE2-CB 3.46Å; E863-S885 PolarHBondContact OE2-OG 3.28Å; L883-S885 VanDerWaalsContact C-N 3.27Å; L883-S885 PolarHBondContact O-N 3.05Å; S885-R887 PolarHBondContact O-N 3Å; S885-R887 VanDerWaalsContact O-N 3.16Å; S885-N888 WeakPolarHBondContact O-CA 3.43Å; S885-N888 WeakPolarHBondContact O-CB 3.28Å; S885-N888 PolarHBondContact O-N 2.87Å; S885-L889 PolarHBondContact O-N 2.78Å
886	S	61.3	Low	66.5	Low	61 Å²	61	77.6 Å²	77.6	43%	0.427	38%	0.38	S	S	.	.	H	α-helix	trans	-55.2	-32.5	179	165.9	0	0	0	0	113.2	Y874 N888 L889 M890	Y874-S886 VanDerWaalsContact CD2-N 3.28Å; Y874-S886 VanDerWaalsContact CE2-N 3.35Å; S886-N888 VanDerWaalsContact C-N 3.34Å; S886-L889 PolarHBondContact O-N 3.03Å; S886-M890 PolarHBondContact O-N 3.38Å
887	R	65.5	Low	66.5	Low	192 Å²	192	81.3 Å²	81.3	73%	0.725	40%	0.402	S	S	*	.	H	α-helix	trans	-67.7	-35.9	175	-174.3	174.1	-174.2	149.3	6.9	112.1	S885 V891	S885-R887 PolarHBondContact O-N 3Å; S885-R887 VanDerWaalsContact O-N 3.16Å; R887-V891 WeakPolarHBondContact O-CG2 3.44Å; R887-V891 PolarHBondContact O-N 3.29Å; R887-V891 VanDerWaalsContact O-N 3.13Å
888	N	69.4	Low	66.9	Low	72 Å²	72	76.2 Å²	76.2	39%	0.385	39%	0.387	S	S	.	.	H	α-helix	trans	-72.5	-36	176.2	-61.1	-23.3	0	0	0	110.1	S885 S886 V891 H892	S885-N888 WeakPolarHBondContact O-CA 3.43Å; S885-N888 WeakPolarHBondContact O-CB 3.28Å; S885-N888 PolarHBondContact O-N 2.87Å; S886-N888 VanDerWaalsContact C-N 3.34Å; N888-V891 PolarHBondContact O-N 2.92Å; N888-H892 VanDerWaalsContact O-CB 3.25Å; N888-H892 WeakPolarHBondContact O-CB 3.37Å; N888-H892 PolarHBondContact O-N 3.06Å
889	L	71.6	Confident	66.8	Low	19 Å²	19	75.1 Å²	75.1	10%	0.099	38%	0.379	C	S	.	.	H	α-helix	trans	-61.8	-49.9	171.3	177.1	59.1	0	0	0	112.2	E875 C876 L883 S885 S886 V891 H892 Q893	E875-L889 WeakPolarHBondContact O-CD2 3.4Å; C876-L889 HydrophobicContact CB-CD1 3.56Å; L883-L889 HydrophobicContact CD1-CB 4.24Å; L883-L889 HydrophobicContact CD1-CD1 4.31Å; S885-L889 PolarHBondContact O-N 2.78Å; S886-L889 PolarHBondContact O-N 3.03Å; L889-V891 VanDerWaalsContact C-N 3.3Å; L889-V891 PolarHBondContact O-N 2.85Å; L889-H892 CarbonylContact O-C 3.51Å; L889-H892 WeakPolarHBondContact O-CA 3.31Å; L889-H892 WeakPolarHBondContact O-CB 3.49Å; L889-H892 PolarHBondContact O-N 3.33Å; L889-Q893 HydrophobicContact CD1-CG 3.95Å; L889-Q893 HydrophobicContact CG-CG 4.32Å; L889-Q893 WeakPolarHBondContact O-CG 3.18Å; L889-Q893 PolarHBondContact O-N 2.73Å
890	M	67.4	Low	67	Low	107 Å²	107	78.1 Å²	78.1	53%	0.527	39%	0.386	S	S	.	.	H	α-helix	trans	-55.5	-43.7	175.8	179	-170.4	-73.2	0	0	112.3	S886 H892 Q893	S886-M890 PolarHBondContact O-N 3.38Å; M890-H892 VanDerWaalsContact C-N 3.31Å; M890-H892 PolarHBondContact O-N 3.41Å; M890-Q893 PolarHBondContact O-N 2.99Å
891	V	69.6	Low	67.6	Low	36 Å²	36	71.8 Å²	71.8	22%	0.218	37%	0.371	C	S	.	.	H	α-helix	trans	-71.8	-26.1	178	170.9	0	0	0	0	112.3	R887 N888 L889 Q913	R887-V891 WeakPolarHBondContact O-CG2 3.44Å; R887-V891 PolarHBondContact O-N 3.29Å; R887-V891 VanDerWaalsContact O-N 3.13Å; N888-V891 PolarHBondContact O-N 2.92Å; L889-V891 VanDerWaalsContact C-N 3.3Å; L889-V891 PolarHBondContact O-N 2.85Å; V891-Q913 HydrophobicContact CG1-CG 3.75Å
892	H	74.2	Confident	68.4	Low	26 Å²	26	69.6 Å²	69.6	12%	0.12	36%	0.36	C	S	.	.	H	α-helix	trans	-77.8	-37.4	173.1	174.1	39.6	0	0	0	112.6	C879 L883 N888 L889 M890 R894 I895 H896	C879-H892 PolarHBondContact SG-NE2 3.02Å; L883-H892 HydrophobicContact CD1-CB 3.58Å; N888-H892 VanDerWaalsContact O-CB 3.25Å; N888-H892 WeakPolarHBondContact O-CB 3.37Å; N888-H892 PolarHBondContact O-N 3.06Å; L889-H892 CarbonylContact O-C 3.51Å; L889-H892 WeakPolarHBondContact O-CA 3.31Å; L889-H892 WeakPolarHBondContact O-CB 3.49Å; L889-H892 PolarHBondContact O-N 3.33Å; M890-H892 VanDerWaalsContact C-N 3.31Å; M890-H892 PolarHBondContact O-N 3.41Å; H892-R894 PolarHBondContact O-N 2.69Å; H892-I895 VanDerWaalsContact O-CB 3.23Å; H892-I895 WeakPolarHBondContact O-CB 3.42Å; H892-I895 WeakPolarHBondContact O-CG1 3.34Å; H892-I895 PolarHBondContact O-N 3.24Å; H892-H896 AromaticContact CE1-CE1 3.82Å; H892-H896 AromaticContact CE1-NE2 3.33Å; H892-H896 PolarHBondContact CE1-NE2 3.19Å; H892-H896 VanDerWaalsContact CE1-NE2 3.33Å; H892-H896 AromaticContact NE2-NE2 3.41Å; H892-H896 PolarHBondContact NE2-NE2 3.1Å
893	Q	68.3	Low	69.2	Low	74 Å²	74	73.1 Å²	73.1	35%	0.346	37%	0.371	S	S	.	.	H	α-helix	trans	-58.4	-32.9	176.8	-75.6	168.6	-59	0	0	111.9	L889 M890 I895 H896 T897	L889-Q893 HydrophobicContact CD1-CG 3.95Å; L889-Q893 HydrophobicContact CG-CG 4.32Å; L889-Q893 WeakPolarHBondContact O-CG 3.18Å; L889-Q893 PolarHBondContact O-N 2.73Å; M890-Q893 PolarHBondContact O-N 2.99Å; Q893-I895 PolarHBondContact O-N 2.66Å; Q893-I895 VanDerWaalsContact O-N 3.13Å; Q893-H896 WeakPolarHBondContact O-CA 3.2Å; Q893-H896 WeakPolarHBondContact O-CB 3.45Å; Q893-H896 PolarHBondContact O-N 3.41Å; Q893-T897 PolarHBondContact O-N 3.25Å; Q893-T897 PolarHBondContact O-OG1 2.82Å
894	R	78	Confident	69.8	Low	45 Å²	45	71.1 Å²	71.1	17%	0.17	36%	0.36	C	S	.	.	H	α-helix	trans	-61.5	-14.3	171.4	-64.1	-168.6	173.3	157.5	4	115.8	H892 T897 G898 E899 S912	H892-R894 PolarHBondContact O-N 2.69Å; R894-T897 WeakPolarHBondContact CA-OG1 3.36Å; R894-G898 CarbonylContact O-C 3.59Å; R894-G898 PolarHBondContact O-N 2.78Å; R894-E899 HydrophobicContact CB-CB 4Å; R894-E899 HydrophobicContact CG-CB 3.76Å; R894-E899 IonicContact NE-OE2 3.18Å; R894-E899 PolarHBondContact NE-OE2 2.63Å; R894-E899 PolarHBondContact O-N 3.42Å; R894-S912 PolarHBondContact NH1-O 3.37Å
895	I	70	Confident	70.6	Confident	121 Å²	121	76.4 Å²	76.4	62%	0.621	39%	0.387	S	S	*	.	H	α-helix	trans	-76.2	-32.6	171.3	-54.5	-178.7	0	0	0	109.7	H892 Q893	H892-I895 VanDerWaalsContact O-CB 3.23Å; H892-I895 WeakPolarHBondContact O-CB 3.42Å; H892-I895 WeakPolarHBondContact O-CG1 3.34Å; H892-I895 PolarHBondContact O-N 3.24Å; Q893-I895 PolarHBondContact O-N 2.66Å; Q893-I895 VanDerWaalsContact O-N 3.13Å
896	H	70.6	Confident	71	Confident	70 Å²	70	80.7 Å²	80.7	32%	0.324	41%	0.405	S	S	.	.	H	α-helix	trans	-87.3	-40	178.6	-52.8	-54.6	0	0	0	112.7	C876 I878 C879 H892 Q893 G898	C876-H896 PolarHBondContact SG-CD2 2.79Å; C876-H896 PolarHBondContact SG-NE2 3.23Å; C876-H896 VanDerWaalsContact SG-NE2 3.41Å; I878-H896 HydrophobicContact CB-CB 4.47Å; I878-H896 HydrophobicContact CD1-CB 3.63Å; I878-H896 HydrophobicContact CG2-CB 4.04Å; C879-H896 PolarHBondContact SG-CE1 2.58Å; C879-H896 PolarHBondContact SG-NE2 3.18Å; H892-H896 AromaticContact CE1-CE1 3.82Å; H892-H896 AromaticContact CE1-NE2 3.33Å; H892-H896 PolarHBondContact CE1-NE2 3.19Å; H892-H896 VanDerWaalsContact CE1-NE2 3.33Å; H892-H896 AromaticContact NE2-NE2 3.41Å; H892-H896 PolarHBondContact NE2-NE2 3.1Å; Q893-H896 WeakPolarHBondContact O-CA 3.2Å; Q893-H896 WeakPolarHBondContact O-CB 3.45Å; Q893-H896 PolarHBondContact O-N 3.41Å; H896-G898 PolarHBondContact O-N 3.36Å
897	T	65.4	Low	71.8	Confident	78 Å²	78	80.1 Å²	80.1	48%	0.479	40%	0.4	S	S	.	.	S	Bend	trans	-80.2	-2.4	176.9	63.5	0	0	0	0	113.5	Q893 R894 E899	Q893-T897 PolarHBondContact O-N 3.25Å; Q893-T897 PolarHBondContact O-OG1 2.82Å; R894-T897 WeakPolarHBondContact CA-OG1 3.36Å; T897-E899 PolarHBondContact O-N 3.16Å; T897-E899 WeakPolarHBondContact OG1-CG 3.43Å; T897-E899 PolarHBondContact OG1-OE1 3.1Å
898	G	69.1	Low	72.2	Confident	47 Å²	47	73.7 Å²	73.7	49%	0.485	39%	0.394	S	S	.	.			trans	67.4	-3.1	-177.2	0	0	0	0	0	115.5	R894 H896 K900	R894-G898 CarbonylContact O-C 3.59Å; R894-G898 PolarHBondContact O-N 2.78Å; H896-G898 PolarHBondContact O-N 3.36Å; G898-K900 WeakPolarHBondContact O-CG 3.39Å; G898-K900 PolarHBondContact O-N 2.8Å
899	E	65.5	Low	72.5	Confident	87 Å²	87	76.1 Å²	76.1	41%	0.407	40%	0.401	S	S	.	.			trans	-52.7	120.3	-175.4	-86.5	171.4	-115.2	0	0	113.5	R894 T897 S912	R894-E899 HydrophobicContact CB-CB 4Å; R894-E899 HydrophobicContact CG-CB 3.76Å; R894-E899 IonicContact NE-OE2 3.18Å; R894-E899 PolarHBondContact NE-OE2 2.63Å; R894-E899 PolarHBondContact O-N 3.42Å; T897-E899 PolarHBondContact O-N 3.16Å; T897-E899 WeakPolarHBondContact OG1-CG 3.43Å; T897-E899 PolarHBondContact OG1-OE1 3.1Å; E899-S912 WeakPolarHBondContact O-CB 3.43Å
900	K	75.6	Confident	72.8	Confident	121 Å²	121	77.9 Å²	77.9	53%	0.526	41%	0.41	S	S	.	.			trans	-125	73.7	174.4	-66.3	158.9	-180	174.8	0	111.7	G898 Y902 D910 F911	G898-K900 WeakPolarHBondContact O-CG 3.39Å; G898-K900 PolarHBondContact O-N 2.8Å; K900-Y902 PolarHBondContact O-N 3.38Å; K900-D910 HydrophobicContact CB-CB 3.52Å; K900-D910 HydrophobicContact CD-CB 3.92Å; K900-D910 HydrophobicContact CG-CB 4.32Å; K900-F911 CarbonylContact C-O 3.25Å; K900-F911 WeakPolarHBondContact CA-O 3.33Å
901	P	74.8	Confident	73.3	Confident	67 Å²	67	74.9 Å²	74.9	44%	0.435	39%	0.394	S	S	.	.			trans	-72.6	0.7	-169.9	-19.8	35.4	0	0	0	115.7
902	Y	74.9	Confident	73.6	Confident	82 Å²	82	74.6 Å²	74.6	32%	0.322	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	88.9	-176.3	-55.2	-73	0	0	0	109.5	K900 F911 Q913 N914	K900-Y902 PolarHBondContact O-N 3.38Å; Y902-F911 WeakPolarHBondContact CB-O 3.09Å; Y902-F911 WeakPolarHBondContact CD2-O 3.39Å; Y902-F911 PolarHBondContact N-O 2.89Å; Y902-F911 VanDerWaalsContact N-O 3.1Å; Y902-F911 PolarHBondContact O-N 3.29Å; Y902-Q913 VanDerWaalsContact CD2-C 3.45Å; Y902-N914 HydrophobicContact CD1-CB 3.81Å; Y902-N914 HydrophobicContact CD2-CB 4.33Å; Y902-N914 HydrophobicContact CE1-CB 3.8Å; Y902-N914 HydrophobicContact CE2-CB 4.29Å; Y902-N914 HydrophobicContact CG-CB 4.09Å
903	K	74.4	Confident	73.6	Confident	124 Å²	124	77 Å²	77	54%	0.539	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	146.7	177.9	-50.5	-163	145.5	-83.4	0	111.2	D910 L917	K903-D910 WeakPolarHBondContact CB-OD1 3.28Å; K903-D910 WeakPolarHBondContact CG-OD1 3.47Å; K903-D910 IonicContact NZ-OD1 3.96Å; K903-D910 PolarHBondContact NZ-OD1 3.37Å; K903-D910 IonicContact NZ-OD2 3.36Å; K903-D910 PolarHBondContact NZ-OD2 3.25Å; K903-L917 WeakPolarHBondContact O-CD2 3.34Å
904	C	80	Confident	74	Confident	0 Å²	0	77.2 Å²	77.2	0%	0	41%	0.409	C	S	.	.			trans	-99.1	106.4	172.5	-165.6	0	0	0	0	110.5	E906 C907 G908 K909 F911 L917 H920	C904-E906 PolarHBondContact O-N 2.86Å; C904-E906 VanDerWaalsContact O-N 3.12Å; C904-C907 PolarHBondContact O-N 3.22Å; C904-C907 VanDerWaalsContact O-N 3.17Å; C904-G908 WeakPolarHBondContact O-CA 3.4Å; C904-G908 PolarHBondContact O-N 2.87Å; C904-K909 HydrophobicContact CB-CB 4.49Å; C904-K909 VanDerWaalsContact CB-O 3.25Å; C904-K909 WeakPolarHBondContact CB-O 3.45Å; C904-K909 PolarHBondContact N-O 3.4Å; C904-F911 HydrophobicContact CB-CE2 4.3Å; C904-L917 HydrophobicContact CB-CD1 3.49Å; C904-L917 VanDerWaalsContact CB-CD1 3.49Å; C904-H920 VanDerWaalsContact SG-CD2 3.57Å
905	N	74.3	Confident	73.8	Confident	159 Å²	159	83 Å²	83	85%	0.85	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-31	-175.3	-62.2	8.1	0	0	0	113.3
906	E	71.9	Confident	74.3	Confident	106 Å²	106	80.9 Å²	80.9	50%	0.495	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-16.5	-176.4	-63.9	155.4	128.2	0	0	114.2	C904 H924	C904-E906 PolarHBondContact O-N 2.86Å; C904-E906 VanDerWaalsContact O-N 3.12Å; E906-H924 IonicContact OE2-CD2 3.18Å; E906-H924 PolarHBondContact OE2-CD2 3.25Å; E906-H924 VanDerWaalsContact OE2-CD2 3.31Å
907	C	76.8	Confident	74.8	Confident	49 Å²	49	78.1 Å²	78.1	33%	0.331	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.4	16.3	-177	79.1	0	0	0	0	115.8	C904 K909 H920 H924	C904-C907 PolarHBondContact O-N 3.22Å; C904-C907 VanDerWaalsContact O-N 3.17Å; C907-K909 PolarHBondContact O-N 3.4Å; C907-H920 PolarHBondContact SG-NE2 3.21Å; C907-H924 VanDerWaalsContact SG-CE1 3.57Å; C907-H924 PolarHBondContact SG-NE2 3.33Å; C907-H924 VanDerWaalsContact SG-NE2 3.36Å
908	G	74.4	Confident	75.2	Confident	57 Å²	57	77.4 Å²	77.4	59%	0.588	41%	0.408	S	S	*	.			trans	65.5	4.3	177.2	0	0	0	0	0	116.9	C904	C904-G908 WeakPolarHBondContact O-CA 3.4Å; C904-G908 PolarHBondContact O-N 2.87Å
909	K	76.7	Confident	75.4	Confident	123 Å²	123	77.7 Å²	77.7	54%	0.535	40%	0.4	S	S	.	.			trans	-79.2	125.8	-175.3	-73.1	175.8	-175.9	167.7	0	111.5	C904 C907 F911	C904-K909 HydrophobicContact CB-CB 4.49Å; C904-K909 VanDerWaalsContact CB-O 3.25Å; C904-K909 WeakPolarHBondContact CB-O 3.45Å; C904-K909 PolarHBondContact N-O 3.4Å; C907-K909 PolarHBondContact O-N 3.4Å; K909-F911 HydrophobicContact CB-CE2 3.84Å; K909-F911 HydrophobicContact CB-CZ 4.09Å; K909-F911 WeakPolarHBondContact O-CD2 3.45Å; K909-F911 VanDerWaalsContact O-CE2 3.22Å; K909-F911 WeakPolarHBondContact O-CE2 3.47Å
910	D	77	Confident	76	Confident	56 Å²	56	74.4 Å²	74.4	30%	0.299	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	137	-175.7	-64	-17.1	0	0	0	112.8	K900 K903	K900-D910 HydrophobicContact CB-CB 3.52Å; K900-D910 HydrophobicContact CD-CB 3.92Å; K900-D910 HydrophobicContact CG-CB 4.32Å; K903-D910 WeakPolarHBondContact CB-OD1 3.28Å; K903-D910 WeakPolarHBondContact CG-OD1 3.47Å; K903-D910 IonicContact NZ-OD1 3.96Å; K903-D910 PolarHBondContact NZ-OD1 3.37Å; K903-D910 IonicContact NZ-OD2 3.36Å; K903-D910 PolarHBondContact NZ-OD2 3.25Å
911	F	78.9	Confident	76	Confident	44 Å²	44	71.8 Å²	71.8	19%	0.193	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	142.9	-178.5	-59.9	-90.9	0	0	0	112.7	K900 Y902 C904 K909 Q913 N916 L917 H920	K900-F911 CarbonylContact C-O 3.25Å; K900-F911 WeakPolarHBondContact CA-O 3.33Å; Y902-F911 WeakPolarHBondContact CB-O 3.09Å; Y902-F911 WeakPolarHBondContact CD2-O 3.39Å; Y902-F911 PolarHBondContact N-O 2.89Å; Y902-F911 VanDerWaalsContact N-O 3.1Å; Y902-F911 PolarHBondContact O-N 3.29Å; C904-F911 HydrophobicContact CB-CE2 4.3Å; K909-F911 HydrophobicContact CB-CE2 3.84Å; K909-F911 HydrophobicContact CB-CZ 4.09Å; K909-F911 WeakPolarHBondContact O-CD2 3.45Å; K909-F911 VanDerWaalsContact O-CE2 3.22Å; K909-F911 WeakPolarHBondContact O-CE2 3.47Å; F911-Q913 VanDerWaalsContact C-N 3.31Å; F911-Q913 PolarHBondContact O-N 3.22Å; F911-N916 HydrophobicContact CB-CB 4.36Å; F911-N916 HydrophobicContact CD1-CB 3.81Å; F911-N916 HydrophobicContact CG-CB 4.35Å; F911-L917 HydrophobicContact CB-CB 4.36Å; F911-L917 HydrophobicContact CD2-CB 4.04Å; F911-L917 HydrophobicContact CD2-CD1 3.95Å; F911-L917 HydrophobicContact CE2-CD1 4.17Å; F911-L917 HydrophobicContact CG-CB 4.33Å; F911-H920 HydrophobicContact CE1-CB 4.15Å; F911-H920 HydrophobicContact CE2-CB 4.08Å; F911-H920 AromaticContact CE2-CD2 3.3Å; F911-H920 WeakPolarHBondContact CE2-CD2 3.33Å; F911-H920 AromaticContact CE2-CG 3.83Å; F911-H920 HydrophobicContact CZ-CB 3.62Å; F911-H920 AromaticContact CZ-CD2 3.3Å; F911-H920 WeakPolarHBondContact CZ-CD2 3.34Å; F911-H920 AromaticContact CZ-CG 3.4Å
912	S	73.9	Confident	76.2	Confident	31 Å²	31	71 Å²	71	22%	0.217	36%	0.363	C	S	.	.	S	Bend	trans	-75.9	-15.3	176.1	57.3	0	0	0	0	114.2	R894 E899	R894-S912 PolarHBondContact NH1-O 3.37Å; E899-S912 WeakPolarHBondContact O-CB 3.43Å
913	Q	76	Confident	75.8	Confident	75 Å²	75	73.3 Å²	73.3	35%	0.35	38%	0.379	S	S	.	.	S	Bend	trans	-139.1	131.3	179.6	-59.6	-176.2	32.1	0	0	112	V891 Y902 F911 K915 N916 L917	V891-Q913 HydrophobicContact CG1-CG 3.75Å; Y902-Q913 VanDerWaalsContact CD2-C 3.45Å; F911-Q913 VanDerWaalsContact C-N 3.31Å; F911-Q913 PolarHBondContact O-N 3.22Å; Q913-K915 PolarHBondContact O-N 2.97Å; Q913-K915 VanDerWaalsContact O-N 3.13Å; Q913-N916 WeakPolarHBondContact O-CB 3.32Å; Q913-N916 PolarHBondContact O-N 2.67Å; Q913-L917 PolarHBondContact O-N 3.31Å
914	N	75.4	Confident	75.7	Confident	80 Å²	80	71.1 Å²	71.1	43%	0.428	37%	0.37	S	S	.	.	H	α-helix	trans	-56.2	-31.8	178.7	-167.2	28.3	0	0	0	113.8	Y902 N916 L917 V918	Y902-N914 HydrophobicContact CD1-CB 3.81Å; Y902-N914 HydrophobicContact CD2-CB 4.33Å; Y902-N914 HydrophobicContact CE1-CB 3.8Å; Y902-N914 HydrophobicContact CE2-CB 4.29Å; Y902-N914 HydrophobicContact CG-CB 4.09Å; N914-N916 PolarHBondContact O-N 3.44Å; N914-L917 PolarHBondContact O-N 3.4Å; N914-V918 WeakPolarHBondContact O-CG2 3.12Å; N914-V918 PolarHBondContact O-N 3.32Å
915	K	74.4	Confident	75.2	Confident	166 Å²	166	74.9 Å²	74.9	72%	0.722	39%	0.393	S	S	*	.	H	α-helix	trans	-60.8	-29.6	175.8	-67.8	-173.7	177.7	179.4	0	113	Q913 V919	Q913-K915 PolarHBondContact O-N 2.97Å; Q913-K915 VanDerWaalsContact O-N 3.13Å; K915-V919 VanDerWaalsContact O-CG2 3.31Å; K915-V919 WeakPolarHBondContact O-CG2 3.3Å; K915-V919 PolarHBondContact O-N 2.99Å
916	N	79.4	Confident	75	Confident	76 Å²	76	69.3 Å²	69.3	41%	0.406	37%	0.373	S	S	.	.	H	α-helix	trans	-81	-39.2	178.4	-61.2	-10.2	0	0	0	110.3	F911 Q913 N914 V919 H920	F911-N916 HydrophobicContact CB-CB 4.36Å; F911-N916 HydrophobicContact CD1-CB 3.81Å; F911-N916 HydrophobicContact CG-CB 4.35Å; Q913-N916 WeakPolarHBondContact O-CB 3.32Å; Q913-N916 PolarHBondContact O-N 2.67Å; N914-N916 PolarHBondContact O-N 3.44Å; N916-V919 PolarHBondContact O-N 3.24Å; N916-H920 VanDerWaalsContact O-CB 3.31Å; N916-H920 WeakPolarHBondContact O-CB 3.34Å; N916-H920 PolarHBondContact O-N 3.38Å
917	L	81	Confident	74.8	Confident	13 Å²	13	69 Å²	69	7%	0.068	37%	0.372	C	S	.	.	H	α-helix	trans	-57.5	-51.5	171.3	175	60.9	0	0	0	111.3	K903 C904 F911 Q913 N914 V919 H920 Q921	K903-L917 WeakPolarHBondContact O-CD2 3.34Å; C904-L917 HydrophobicContact CB-CD1 3.49Å; C904-L917 VanDerWaalsContact CB-CD1 3.49Å; F911-L917 HydrophobicContact CB-CB 4.36Å; F911-L917 HydrophobicContact CD2-CB 4.04Å; F911-L917 HydrophobicContact CD2-CD1 3.95Å; F911-L917 HydrophobicContact CE2-CD1 4.17Å; F911-L917 HydrophobicContact CG-CB 4.33Å; Q913-L917 PolarHBondContact O-N 3.31Å; N914-L917 PolarHBondContact O-N 3.4Å; L917-V919 VanDerWaalsContact C-N 3.28Å; L917-V919 PolarHBondContact O-N 3.12Å; L917-H920 CarbonylContact O-C 3.53Å; L917-H920 WeakPolarHBondContact O-CA 3.38Å; L917-H920 WeakPolarHBondContact O-CB 3.47Å; L917-H920 PolarHBondContact O-N 2.69Å; L917-Q921 HydrophobicContact CD1-CG 3.94Å; L917-Q921 HydrophobicContact CG-CG 4.32Å; L917-Q921 WeakPolarHBondContact O-CG 3.37Å; L917-Q921 PolarHBondContact O-N 3.38Å
918	V	75	Confident	74.6	Confident	63 Å²	63	72.6 Å²	72.6	38%	0.382	38%	0.382	S	S	.	.	H	α-helix	trans	-63.5	-30.9	-179.6	174.1	0	0	0	0	112.8	N914 R922	N914-V918 WeakPolarHBondContact O-CG2 3.12Å; N914-V918 PolarHBondContact O-N 3.32Å; V918-R922 WeakPolarHBondContact O-CG 3.34Å
919	V	73.8	Confident	74.6	Confident	52 Å²	52	73.2 Å²	73.2	32%	0.315	38%	0.375	S	S	.	.	H	α-helix	trans	-77.3	-25.5	172.7	171.3	0	0	0	0	112	K915 N916 L917	K915-V919 VanDerWaalsContact O-CG2 3.31Å; K915-V919 WeakPolarHBondContact O-CG2 3.3Å; K915-V919 PolarHBondContact O-N 2.99Å; N916-V919 PolarHBondContact O-N 3.24Å; L917-V919 VanDerWaalsContact C-N 3.28Å; L917-V919 PolarHBondContact O-N 3.12Å
920	H	77.3	Confident	74.5	Confident	18 Å²	18	71.2 Å²	71.2	8%	0.083	37%	0.365	C	S	.	.	H	α-helix	trans	-79.1	-39.7	175.3	172.7	52	0	0	0	113.1	C904 C907 F911 N916 L917 R922 M923 H924	C904-H920 VanDerWaalsContact SG-CD2 3.57Å; C907-H920 PolarHBondContact SG-NE2 3.21Å; F911-H920 HydrophobicContact CE1-CB 4.15Å; F911-H920 HydrophobicContact CE2-CB 4.08Å; F911-H920 AromaticContact CE2-CD2 3.3Å; F911-H920 WeakPolarHBondContact CE2-CD2 3.33Å; F911-H920 AromaticContact CE2-CG 3.83Å; F911-H920 HydrophobicContact CZ-CB 3.62Å; F911-H920 AromaticContact CZ-CD2 3.3Å; F911-H920 WeakPolarHBondContact CZ-CD2 3.34Å; F911-H920 AromaticContact CZ-CG 3.4Å; N916-H920 VanDerWaalsContact O-CB 3.31Å; N916-H920 WeakPolarHBondContact O-CB 3.34Å; N916-H920 PolarHBondContact O-N 3.38Å; L917-H920 CarbonylContact O-C 3.53Å; L917-H920 WeakPolarHBondContact O-CA 3.38Å; L917-H920 WeakPolarHBondContact O-CB 3.47Å; L917-H920 PolarHBondContact O-N 2.69Å; H920-R922 PolarHBondContact O-N 2.88Å; H920-M923 WeakPolarHBondContact O-CA 3.31Å; H920-M923 WeakPolarHBondContact O-CB 3.49Å; H920-M923 WeakPolarHBondContact O-CG 3.42Å; H920-M923 PolarHBondContact O-N 2.84Å; H920-H924 AromaticContact CD2-NE2 3.91Å; H920-H924 AromaticContact CE1-CE1 3.65Å; H920-H924 AromaticContact CE1-NE2 3.42Å; H920-H924 PolarHBondContact CE1-NE2 3.07Å; H920-H924 AromaticContact NE2-CE1 3.77Å; H920-H924 AromaticContact NE2-NE2 3.16Å; H920-H924 PolarHBondContact NE2-NE2 3.37Å; H920-H924 VanDerWaalsContact NE2-NE2 3.16Å
921	Q	74.9	Confident	74.4	Confident	66 Å²	66	73.2 Å²	73.2	31%	0.308	37%	0.372	S	S	.	.	H	α-helix	trans	-58	-32.2	175.9	-70.8	174.5	-67.8	0	0	112.2	L917 M923 H924 T925	L917-Q921 HydrophobicContact CD1-CG 3.94Å; L917-Q921 HydrophobicContact CG-CG 4.32Å; L917-Q921 WeakPolarHBondContact O-CG 3.37Å; L917-Q921 PolarHBondContact O-N 3.38Å; Q921-M923 PolarHBondContact O-N 3.1Å; Q921-M923 VanDerWaalsContact O-N 3.1Å; Q921-H924 WeakPolarHBondContact O-CB 3.48Å; Q921-H924 PolarHBondContact O-N 2.93Å; Q921-T925 PolarHBondContact O-N 2.8Å
922	R	78.9	Confident	74.3	Confident	50 Å²	50	71.2 Å²	71.2	19%	0.189	36%	0.364	C	S	.	.	H	α-helix	trans	-62.8	-10.8	170.7	-67.8	174.4	175.7	-155.9	-12.6	115.1	V918 H920 G926 E927 T940	V918-R922 WeakPolarHBondContact O-CG 3.34Å; H920-R922 PolarHBondContact O-N 2.88Å; R922-G926 CarbonylContact O-C 3.13Å; R922-G926 PolarHBondContact O-N 3.38Å; R922-E927 HydrophobicContact CB-CB 4.26Å; R922-E927 HydrophobicContact CG-CB 4.01Å; R922-E927 IonicContact NE-OE2 3.96Å; R922-E927 PolarHBondContact O-N 3.37Å; R922-T940 HydrophobicContact CB-CG2 4.26Å; R922-T940 PolarHBondContact NH1-O 3.2Å
923	M	68.1	Low	74.2	Confident	132 Å²	132	78 Å²	78	65%	0.65	39%	0.392	S	S	*	.	H	α-helix	trans	-82.5	-28.9	170.2	-56.6	178.5	61.6	0	0	111.6	H920 Q921	H920-M923 WeakPolarHBondContact O-CA 3.31Å; H920-M923 WeakPolarHBondContact O-CB 3.49Å; H920-M923 WeakPolarHBondContact O-CG 3.42Å; H920-M923 PolarHBondContact O-N 2.84Å; Q921-M923 PolarHBondContact O-N 3.1Å; Q921-M923 VanDerWaalsContact O-N 3.1Å
924	H	72.6	Confident	73.9	Confident	77 Å²	77	81.7 Å²	81.7	36%	0.356	41%	0.407	S	S	.	.	H	α-helix	trans	-83.5	-45.6	175.9	-53	-48.1	0	0	0	110.8	E906 C907 H920 Q921 G926	E906-H924 IonicContact OE2-CD2 3.18Å; E906-H924 PolarHBondContact OE2-CD2 3.25Å; E906-H924 VanDerWaalsContact OE2-CD2 3.31Å; C907-H924 VanDerWaalsContact SG-CE1 3.57Å; C907-H924 PolarHBondContact SG-NE2 3.33Å; C907-H924 VanDerWaalsContact SG-NE2 3.36Å; H920-H924 AromaticContact CD2-NE2 3.91Å; H920-H924 AromaticContact CE1-CE1 3.65Å; H920-H924 AromaticContact CE1-NE2 3.42Å; H920-H924 PolarHBondContact CE1-NE2 3.07Å; H920-H924 AromaticContact NE2-CE1 3.77Å; H920-H924 AromaticContact NE2-NE2 3.16Å; H920-H924 PolarHBondContact NE2-NE2 3.37Å; H920-H924 VanDerWaalsContact NE2-NE2 3.16Å; Q921-H924 WeakPolarHBondContact O-CB 3.48Å; Q921-H924 PolarHBondContact O-N 2.93Å; H924-G926 PolarHBondContact O-N 3.49Å
925	T	69.6	Low	74	Confident	79 Å²	79	80.1 Å²	80.1	49%	0.485	40%	0.402	S	S	.	.	S	Bend	trans	-77.5	-4.4	176.9	68.2	0	0	0	0	114.1	Q921 E927	Q921-T925 PolarHBondContact O-N 2.8Å; T925-E927 PolarHBondContact O-N 3.44Å
926	G	69.3	Low	73.9	Confident	42 Å²	42	81.9 Å²	81.9	43%	0.433	40%	0.404	S	S	.	.			trans	68	-5.8	-177.4	0	0	0	0	0	116	R922 H924 K928	R922-G926 CarbonylContact O-C 3.13Å; R922-G926 PolarHBondContact O-N 3.38Å; H924-G926 PolarHBondContact O-N 3.49Å; G926-K928 PolarHBondContact O-N 2.82Å
927	E	67.2	Low	73.6	Confident	100 Å²	100	84.5 Å²	84.5	47%	0.467	41%	0.412	S	S	.	.			trans	-53.6	123.9	-175.7	-83.3	-175	-162.3	0	0	113.4	R922 T925 P929	R922-E927 HydrophobicContact CB-CB 4.26Å; R922-E927 HydrophobicContact CG-CB 4.01Å; R922-E927 IonicContact NE-OE2 3.96Å; R922-E927 PolarHBondContact O-N 3.37Å; T925-E927 PolarHBondContact O-N 3.44Å; E927-P929 HydrophobicContact CB-CG 4.31Å; E927-P929 WeakPolarHBondContact O-CD 3.23Å
928	K	73.6	Confident	73.2	Confident	124 Å²	124	85.9 Å²	85.9	54%	0.539	42%	0.423	S	S	.	.			trans	-124.1	68.9	176.6	-72.2	157.3	-178.2	169.5	0	112	G926 Y930 S938 F939 T940	G926-K928 PolarHBondContact O-N 2.82Å; K928-Y930 PolarHBondContact O-N 3.23Å; K928-S938 WeakPolarHBondContact CD-O 3.2Å; K928-S938 WeakPolarHBondContact O-CB 3.31Å; K928-F939 CarbonylContact C-O 3.2Å; K928-F939 VanDerWaalsContact C-O 3.25Å; K928-F939 WeakPolarHBondContact CA-O 3.44Å; K928-T940 HydrophobicContact CG-CG2 4.14Å
929	P	74.1	Confident	73.3	Confident	70 Å²	70	85.1 Å²	85.1	46%	0.455	41%	0.414	S	S	.	.			trans	-75.3	17.8	-168	-18.3	35.9	0	0	0	115.8	E927	E927-P929 HydrophobicContact CB-CG 4.31Å; E927-P929 WeakPolarHBondContact O-CD 3.23Å
930	Y	74.4	Confident	73.2	Confident	82 Å²	82	84.1 Å²	84.1	32%	0.322	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	82.1	-178.1	-58.9	-71.9	0	0	0	109.4	K928 F939 S941 K942	K928-Y930 PolarHBondContact O-N 3.23Å; Y930-F939 WeakPolarHBondContact CB-O 3.24Å; Y930-F939 WeakPolarHBondContact CD2-O 3.49Å; Y930-F939 PolarHBondContact N-O 3.22Å; Y930-F939 PolarHBondContact O-N 3.04Å; Y930-S941 VanDerWaalsContact CD2-C 3.43Å; Y930-K942 HydrophobicContact CD1-CB 3.87Å; Y930-K942 HydrophobicContact CD1-CG 4.39Å; Y930-K942 VanDerWaalsContact CD2-N 3.31Å; Y930-K942 HydrophobicContact CE1-CB 3.71Å; Y930-K942 HydrophobicContact CE1-CD 4.35Å; Y930-K942 HydrophobicContact CE1-CG 4.4Å; Y930-K942 HydrophobicContact CE2-CB 4.36Å; Y930-K942 HydrophobicContact CG-CB 4.27Å
931	E	74.6	Confident	73.1	Confident	97 Å²	97	84.5 Å²	84.5	45%	0.453	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	148.9	175.9	-172.7	167.7	156.2	0	0	112.2	R936 S938 L945	E931-R936 HydrophobicContact CG-CB 4.5Å; E931-R936 WeakPolarHBondContact OE1-CA 3.43Å; E931-R936 WeakPolarHBondContact OE1-CB 3.34Å; E931-R936 WeakPolarHBondContact OE1-CG 3.38Å; E931-S938 WeakPolarHBondContact CB-OG 3.32Å; E931-S938 WeakPolarHBondContact CG-OG 3.32Å; E931-L945 WeakPolarHBondContact O-CD2 3.33Å
932	C	76.6	Confident	73	Confident	2 Å²	2	87.7 Å²	87.7	1%	0.014	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	103.8	171.1	-174.9	0	0	0	0	111.1	K934 C935 R936 K937 F939 L945 H948 H952	C932-K934 PolarHBondContact O-N 3.04Å; C932-C935 PolarHBondContact O-N 2.8Å; C932-R936 WeakPolarHBondContact O-CA 3.32Å; C932-R936 PolarHBondContact O-N 3.37Å; C932-K937 WeakPolarHBondContact CB-O 3.45Å; C932-K937 PolarHBondContact N-O 3.26Å; C932-F939 HydrophobicContact CB-CE2 4.47Å; C932-L945 HydrophobicContact CB-CD1 3.49Å; C932-L945 VanDerWaalsContact CB-CD1 3.49Å; C932-H948 VanDerWaalsContact SG-CD2 3.56Å; C932-H952 VanDerWaalsContact SG-CD2 3.53Å
933	E	72.8	Confident	72.7	Confident	174 Å²	174	95.1 Å²	95.1	81%	0.813	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.9	-41.2	179	-65.2	155	-179.4	0	0	113.9	C935	E933-C935 PolarHBondContact O-N 3.14Å
934	K	69.8	Low	73	Confident	152 Å²	152	92.8 Å²	92.8	66%	0.661	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-18.4	-178.8	-73.9	-166.7	171.3	-166.6	0	116.3	C932 H952	C932-K934 PolarHBondContact O-N 3.04Å; K934-H952 HydrophobicContact CD-CB 3.77Å
935	C	77.4	Confident	73.2	Confident	48 Å²	48	89.8 Å²	89.8	32%	0.324	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.4	15.6	-179.3	81	0	0	0	0	115.5	C932 E933 K937 H948 H952	C932-C935 PolarHBondContact O-N 2.8Å; E933-C935 PolarHBondContact O-N 3.14Å; C935-K937 PolarHBondContact O-N 3.43Å; C935-H948 PolarHBondContact SG-NE2 2.93Å; C935-H952 VanDerWaalsContact SG-CE1 3.55Å; C935-H952 PolarHBondContact SG-NE2 3.38Å
936	R	71.3	Confident	73.4	Confident	203 Å²	203	88.7 Å²	88.7	77%	0.766	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	24.6	178.4	-53.6	-160.6	-177.9	155.3	1.3	116.3	E931 C932	E931-R936 HydrophobicContact CG-CB 4.5Å; E931-R936 WeakPolarHBondContact OE1-CA 3.43Å; E931-R936 WeakPolarHBondContact OE1-CB 3.34Å; E931-R936 WeakPolarHBondContact OE1-CG 3.38Å; C932-R936 WeakPolarHBondContact O-CA 3.32Å; C932-R936 PolarHBondContact O-N 3.37Å
937	K	72.7	Confident	73.3	Confident	130 Å²	130	87.7 Å²	87.7	57%	0.565	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	123.5	173.2	-73.6	-176.9	179.5	-179.4	0	109.3	C932 C935 F939	C932-K937 WeakPolarHBondContact CB-O 3.45Å; C932-K937 PolarHBondContact N-O 3.26Å; C935-K937 PolarHBondContact O-N 3.43Å; K937-F939 HydrophobicContact CB-CE2 4.09Å; K937-F939 HydrophobicContact CB-CZ 4.2Å; K937-F939 WeakPolarHBondContact O-CD2 3.37Å; K937-F939 WeakPolarHBondContact O-CE2 3.32Å
938	S	74.1	Confident	73.7	Confident	42 Å²	42	84 Å²	84	29%	0.294	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	138.4	-171	-53.3	0	0	0	0	112.7	K928 E931	K928-S938 WeakPolarHBondContact CD-O 3.2Å; K928-S938 WeakPolarHBondContact O-CB 3.31Å; E931-S938 WeakPolarHBondContact CB-OG 3.32Å; E931-S938 WeakPolarHBondContact CG-OG 3.32Å
939	F	77	Confident	73.6	Confident	47 Å²	47	81.2 Å²	81.2	21%	0.206	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	149.3	-171.1	-60.1	-87.6	0	0	0	112.2	K928 Y930 C932 K937 S941 N944 L945 H948	K928-F939 CarbonylContact C-O 3.2Å; K928-F939 VanDerWaalsContact C-O 3.25Å; K928-F939 WeakPolarHBondContact CA-O 3.44Å; Y930-F939 WeakPolarHBondContact CB-O 3.24Å; Y930-F939 WeakPolarHBondContact CD2-O 3.49Å; Y930-F939 PolarHBondContact N-O 3.22Å; Y930-F939 PolarHBondContact O-N 3.04Å; C932-F939 HydrophobicContact CB-CE2 4.47Å; K937-F939 HydrophobicContact CB-CE2 4.09Å; K937-F939 HydrophobicContact CB-CZ 4.2Å; K937-F939 WeakPolarHBondContact O-CD2 3.37Å; K937-F939 WeakPolarHBondContact O-CE2 3.32Å; F939-S941 VanDerWaalsContact C-N 3.26Å; F939-S941 PolarHBondContact O-N 3.21Å; F939-N944 HydrophobicContact CB-CB 4.2Å; F939-N944 HydrophobicContact CD1-CB 3.93Å; F939-N944 HydrophobicContact CG-CB 4.28Å; F939-L945 HydrophobicContact CB-CB 4.46Å; F939-L945 HydrophobicContact CD2-CB 4.04Å; F939-L945 HydrophobicContact CD2-CD1 4.02Å; F939-L945 HydrophobicContact CE2-CD1 4.24Å; F939-L945 HydrophobicContact CG-CB 4.47Å; F939-H948 HydrophobicContact CE1-CB 4.18Å; F939-H948 HydrophobicContact CE2-CB 3.85Å; F939-H948 AromaticContact CE2-CD2 3.41Å; F939-H948 VanDerWaalsContact CE2-CD2 3.41Å; F939-H948 WeakPolarHBondContact CE2-CD2 3.41Å; F939-H948 AromaticContact CE2-CG 3.63Å; F939-H948 HydrophobicContact CZ-CB 3.52Å; F939-H948 AromaticContact CZ-CD2 3.59Å; F939-H948 AromaticContact CZ-CG 3.34Å; F939-H948 AromaticContact CZ-ND1 3.81Å
940	T	71.3	Confident	73.8	Confident	32 Å²	32	80.3 Å²	80.3	20%	0.196	37%	0.372	C	S	.	.	S	Bend	trans	-70.5	-20	176.7	57.1	0	0	0	0	113.3	R922 K928	R922-T940 HydrophobicContact CB-CG2 4.26Å; R922-T940 PolarHBondContact NH1-O 3.2Å; K928-T940 HydrophobicContact CG-CG2 4.14Å
941	S	74.6	Confident	73.5	Confident	25 Å²	25	80.7 Å²	80.7	18%	0.175	38%	0.379	C	S	.	.	S	Bend	trans	-142.6	135.2	-173.3	177.2	0	0	0	0	113.4	Y930 F939 R943 N944 L945	Y930-S941 VanDerWaalsContact CD2-C 3.43Å; F939-S941 VanDerWaalsContact C-N 3.26Å; F939-S941 PolarHBondContact O-N 3.21Å; S941-R943 PolarHBondContact O-N 2.95Å; S941-R943 VanDerWaalsContact O-N 3.14Å; S941-N944 WeakPolarHBondContact O-CB 3.31Å; S941-N944 PolarHBondContact O-N 3.3Å; S941-L945 PolarHBondContact O-N 2.82Å
942	K	73.1	Confident	73.4	Confident	133 Å²	133	79 Å²	79	58%	0.578	37%	0.371	S	S	*	.	H	α-helix	trans	-56.9	-28.2	178	-171.5	163.2	-177.4	164.5	0	113.7	Y930 N944 L945 V946	Y930-K942 HydrophobicContact CD1-CB 3.87Å; Y930-K942 HydrophobicContact CD1-CG 4.39Å; Y930-K942 VanDerWaalsContact CD2-N 3.31Å; Y930-K942 HydrophobicContact CE1-CB 3.71Å; Y930-K942 HydrophobicContact CE1-CD 4.35Å; Y930-K942 HydrophobicContact CE1-CG 4.4Å; Y930-K942 HydrophobicContact CE2-CB 4.36Å; Y930-K942 HydrophobicContact CG-CB 4.27Å; K942-N944 VanDerWaalsContact C-N 3.3Å; K942-N944 PolarHBondContact O-N 2.89Å; K942-L945 PolarHBondContact O-N 2.81Å; K942-V946 HydrophobicContact CG-CG2 4.38Å; K942-V946 WeakPolarHBondContact O-CG2 3.48Å; K942-V946 PolarHBondContact O-N 3.33Å
943	R	71.8	Confident	72.8	Confident	206 Å²	206	82.3 Å²	82.3	78%	0.777	39%	0.391	S	S	*	.	H	α-helix	trans	-64.2	-38	174.6	-176.5	-176.8	-68.4	140.8	-2.9	111.6	S941 G947	S941-R943 PolarHBondContact O-N 2.95Å; S941-R943 VanDerWaalsContact O-N 3.14Å; R943-G947 PolarHBondContact O-N 3.41Å
944	N	74.4	Confident	72.4	Confident	83 Å²	83	75.7 Å²	75.7	44%	0.444	37%	0.369	S	S	.	.	H	α-helix	trans	-74.8	-39.9	-178.5	-60.1	7.9	0	0	0	109.7	F939 S941 K942 G947 H948	F939-N944 HydrophobicContact CB-CB 4.2Å; F939-N944 HydrophobicContact CD1-CB 3.93Å; F939-N944 HydrophobicContact CG-CB 4.28Å; S941-N944 WeakPolarHBondContact O-CB 3.31Å; S941-N944 PolarHBondContact O-N 3.3Å; K942-N944 VanDerWaalsContact C-N 3.3Å; K942-N944 PolarHBondContact O-N 2.89Å; N944-G947 PolarHBondContact O-N 3.35Å; N944-H948 WeakPolarHBondContact O-CB 3.5Å; N944-H948 PolarHBondContact O-N 3.18Å
945	L	78.3	Confident	72.2	Confident	15 Å²	15	72.9 Å²	72.9	8%	0.079	36%	0.358	C	S	.	.	H	α-helix	trans	-56.9	-50.6	170	174.3	60.1	0	0	0	111.8	E931 C932 F939 S941 K942 G947 H948 Q949	E931-L945 WeakPolarHBondContact O-CD2 3.33Å; C932-L945 HydrophobicContact CB-CD1 3.49Å; C932-L945 VanDerWaalsContact CB-CD1 3.49Å; F939-L945 HydrophobicContact CB-CB 4.46Å; F939-L945 HydrophobicContact CD2-CB 4.04Å; F939-L945 HydrophobicContact CD2-CD1 4.02Å; F939-L945 HydrophobicContact CE2-CD1 4.24Å; F939-L945 HydrophobicContact CG-CB 4.47Å; S941-L945 PolarHBondContact O-N 2.82Å; K942-L945 PolarHBondContact O-N 2.81Å; L945-G947 VanDerWaalsContact C-N 3.32Å; L945-G947 PolarHBondContact O-N 3.43Å; L945-H948 CarbonylContact O-C 3.54Å; L945-H948 WeakPolarHBondContact O-CA 3.35Å; L945-H948 WeakPolarHBondContact O-CB 3.34Å; L945-H948 PolarHBondContact O-N 3.05Å; L945-Q949 HydrophobicContact CD1-CG 4.01Å; L945-Q949 HydrophobicContact CG-CG 4.36Å; L945-Q949 WeakPolarHBondContact O-CG 3.43Å; L945-Q949 PolarHBondContact O-N 3.16Å
946	V	72.6	Confident	71.8	Confident	56 Å²	56	75.9 Å²	75.9	34%	0.339	37%	0.366	S	S	.	.	H	α-helix	trans	-63.9	-36.3	178.6	172.1	0	0	0	0	112	K942 H948 Q949	K942-V946 HydrophobicContact CG-CG2 4.38Å; K942-V946 WeakPolarHBondContact O-CG2 3.48Å; K942-V946 PolarHBondContact O-N 3.33Å; V946-H948 VanDerWaalsContact C-N 3.29Å; V946-H948 PolarHBondContact O-N 2.87Å; V946-Q949 PolarHBondContact O-N 3.14Å
947	G	67.1	Low	71.7	Confident	20 Å²	20	69.3 Å²	69.3	21%	0.206	35%	0.35	C	S	.	.	H	α-helix	trans	-65.3	-30.7	172.3	0	0	0	0	0	113.6	R943 N944 L945	R943-G947 PolarHBondContact O-N 3.41Å; N944-G947 PolarHBondContact O-N 3.35Å; L945-G947 VanDerWaalsContact C-N 3.32Å; L945-G947 PolarHBondContact O-N 3.43Å
948	H	76.1	Confident	71.5	Confident	23 Å²	23	65.4 Å²	65.4	11%	0.106	33%	0.332	C	S	.	.	H	α-helix	trans	-81.1	-36.2	175.5	169.9	72.3	0	0	0	112.9	C932 C935 F939 N944 L945 V946 R950 I951 H952	C932-H948 VanDerWaalsContact SG-CD2 3.56Å; C935-H948 PolarHBondContact SG-NE2 2.93Å; F939-H948 HydrophobicContact CE1-CB 4.18Å; F939-H948 HydrophobicContact CE2-CB 3.85Å; F939-H948 AromaticContact CE2-CD2 3.41Å; F939-H948 VanDerWaalsContact CE2-CD2 3.41Å; F939-H948 WeakPolarHBondContact CE2-CD2 3.41Å; F939-H948 AromaticContact CE2-CG 3.63Å; F939-H948 HydrophobicContact CZ-CB 3.52Å; F939-H948 AromaticContact CZ-CD2 3.59Å; F939-H948 AromaticContact CZ-CG 3.34Å; F939-H948 AromaticContact CZ-ND1 3.81Å; N944-H948 WeakPolarHBondContact O-CB 3.5Å; N944-H948 PolarHBondContact O-N 3.18Å; L945-H948 CarbonylContact O-C 3.54Å; L945-H948 WeakPolarHBondContact O-CA 3.35Å; L945-H948 WeakPolarHBondContact O-CB 3.34Å; L945-H948 PolarHBondContact O-N 3.05Å; V946-H948 VanDerWaalsContact C-N 3.29Å; V946-H948 PolarHBondContact O-N 2.87Å; H948-R950 PolarHBondContact O-N 3.26Å; H948-I951 WeakPolarHBondContact O-CB 3.48Å; H948-I951 WeakPolarHBondContact O-CG1 3.44Å; H948-I951 PolarHBondContact O-N 3.28Å; H948-H952 AromaticContact CD2-NE2 3.83Å; H948-H952 AromaticContact CE1-NE2 3.44Å; H948-H952 PolarHBondContact CE1-NE2 3.03Å; H948-H952 AromaticContact NE2-CD2 3.77Å; H948-H952 AromaticContact NE2-NE2 3Å; H948-H952 PolarHBondContact NE2-NE2 3.25Å
949	Q	72.4	Confident	71.1	Confident	66 Å²	66	64.9 Å²	64.9	31%	0.308	33%	0.333	S	S	.	.	H	α-helix	trans	-57.8	-32.5	175.9	-76.5	170.7	-46.3	0	0	112	L945 V946 I951 H952 T953	L945-Q949 HydrophobicContact CD1-CG 4.01Å; L945-Q949 HydrophobicContact CG-CG 4.36Å; L945-Q949 WeakPolarHBondContact O-CG 3.43Å; L945-Q949 PolarHBondContact O-N 3.16Å; V946-Q949 PolarHBondContact O-N 3.14Å; Q949-I951 PolarHBondContact O-N 3.2Å; Q949-H952 WeakPolarHBondContact O-CA 3.47Å; Q949-H952 WeakPolarHBondContact O-CB 3.43Å; Q949-H952 PolarHBondContact O-N 2.83Å; Q949-T953 PolarHBondContact O-N 2.95Å; Q949-T953 PolarHBondContact O-OG1 2.79Å
950	R	76.5	Confident	70.9	Confident	50 Å²	50	63.2 Å²	63.2	19%	0.189	33%	0.327	C	S	.	.	H	α-helix	trans	-66.3	-11.2	172.1	-67.6	175.7	176.5	-179.8	-1.2	115.4	H948 G954 E955 Y958 R968	H948-R950 PolarHBondContact O-N 3.26Å; R950-G954 CarbonylContact O-C 3.47Å; R950-G954 PolarHBondContact O-N 2.9Å; R950-E955 HydrophobicContact CB-CB 4.31Å; R950-E955 HydrophobicContact CG-CB 4.09Å; R950-E955 IonicContact NE-OE2 3.35Å; R950-Y958 VanDerWaalsContact NH1-CE2 3.26Å; R950-Y958 PolarHBondContact NH1-OH 3.44Å; R950-Y958 VanDerWaalsContact NH1-OH 3.09Å; R950-R968 PolarHBondContact O-NE 2.83Å
951	I	69.9	Low	70.8	Confident	90 Å²	90	68.9 Å²	68.9	46%	0.462	36%	0.356	S	S	.	.	H	α-helix	trans	-75.1	-40.7	168	-55	177.8	0	0	0	108.9	H948 Q949	H948-I951 WeakPolarHBondContact O-CB 3.48Å; H948-I951 WeakPolarHBondContact O-CG1 3.44Å; H948-I951 PolarHBondContact O-N 3.28Å; Q949-I951 PolarHBondContact O-N 3.2Å
952	H	71.9	Confident	70.4	Confident	63 Å²	63	72.2 Å²	72.2	29%	0.292	37%	0.372	S	S	.	.	H	α-helix	trans	-80.7	-25.6	-179.9	-58.4	-61.3	0	0	0	115	C932 K934 C935 H948 Q949	C932-H952 VanDerWaalsContact SG-CD2 3.53Å; K934-H952 HydrophobicContact CD-CB 3.77Å; C935-H952 VanDerWaalsContact SG-CE1 3.55Å; C935-H952 PolarHBondContact SG-NE2 3.38Å; H948-H952 AromaticContact CD2-NE2 3.83Å; H948-H952 AromaticContact CE1-NE2 3.44Å; H948-H952 PolarHBondContact CE1-NE2 3.03Å; H948-H952 AromaticContact NE2-CD2 3.77Å; H948-H952 AromaticContact NE2-NE2 3Å; H948-H952 PolarHBondContact NE2-NE2 3.25Å; Q949-H952 WeakPolarHBondContact O-CA 3.47Å; Q949-H952 WeakPolarHBondContact O-CB 3.43Å; Q949-H952 PolarHBondContact O-N 2.83Å
953	T	63.8	Low	70.4	Confident	71 Å²	71	67.7 Å²	67.7	44%	0.436	36%	0.357	S	S	.	.	S	Bend	trans	-95	-0.6	174.2	60.9	0	0	0	0	113	Q949 E955	Q949-T953 PolarHBondContact O-N 2.95Å; Q949-T953 PolarHBondContact O-OG1 2.79Å; T953-E955 VanDerWaalsContact CB-OE1 3.25Å; T953-E955 WeakPolarHBondContact CB-OE1 3.23Å; T953-E955 PolarHBondContact O-N 3.45Å; T953-E955 VanDerWaalsContact OG1-CD 3.22Å; T953-E955 WeakPolarHBondContact OG1-CG 3.32Å; T953-E955 PolarHBondContact OG1-OE1 2.96Å
954	G	64.3	Low	70.1	Confident	34 Å²	34	63.7 Å²	63.7	35%	0.351	36%	0.36	S	S	.	.			trans	75.3	-34.2	-178.1	0	0	0	0	0	114.7	R950 R968	R950-G954 CarbonylContact O-C 3.47Å; R950-G954 PolarHBondContact O-N 2.9Å; G954-R968 PolarHBondContact O-NE 2.88Å; G954-R968 PolarHBondContact O-NH2 3.35Å
955	E	65.1	Low	69.7	Low	93 Å²	93	66 Å²	66	44%	0.435	37%	0.366	S	S	.	.			trans	-26.5	125.6	-176.7	-80.3	171.5	-118.2	0	0	115.7	R950 T953 P957 R968	R950-E955 HydrophobicContact CB-CB 4.31Å; R950-E955 HydrophobicContact CG-CB 4.09Å; R950-E955 IonicContact NE-OE2 3.35Å; T953-E955 VanDerWaalsContact CB-OE1 3.25Å; T953-E955 WeakPolarHBondContact CB-OE1 3.23Å; T953-E955 PolarHBondContact O-N 3.45Å; T953-E955 VanDerWaalsContact OG1-CD 3.22Å; T953-E955 WeakPolarHBondContact OG1-CG 3.32Å; T953-E955 PolarHBondContact OG1-OE1 2.96Å; E955-P957 HydrophobicContact CB-CG 4.14Å; E955-P957 WeakPolarHBondContact O-CD 3.49Å; E955-R968 WeakPolarHBondContact O-CG 3.48Å
956	K	68.6	Low	69.3	Low	112 Å²	112	68.6 Å²	68.6	49%	0.487	38%	0.382	S	S	.	.			trans	-122.9	69.5	174	-62	173.9	177.8	-177.9	0	111	Y958 V966 F967 R968	K956-Y958 PolarHBondContact O-N 3.04Å; K956-V966 HydrophobicContact CB-CB 3.79Å; K956-V966 HydrophobicContact CB-CG2 4.03Å; K956-V966 HydrophobicContact CD-CB 4.25Å; K956-V966 HydrophobicContact CD-CG2 3.64Å; K956-V966 WeakPolarHBondContact CD-O 3.32Å; K956-F967 CarbonylContact C-O 3.51Å; K956-F967 WeakPolarHBondContact CA-O 3.47Å; K956-R968 HydrophobicContact CG-CG 3.89Å
957	P	70.2	Confident	69.4	Low	64 Å²	64	67.9 Å²	67.9	42%	0.416	38%	0.375	S	S	.	.			trans	-76.5	15.5	-165.2	-16.1	34.3	0	0	0	115.5	E955	E955-P957 HydrophobicContact CB-CG 4.14Å; E955-P957 WeakPolarHBondContact O-CD 3.49Å
958	Y	68.9	Low	69.2	Low	49 Å²	49	71.5 Å²	71.5	19%	0.192	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	82.9	-176.3	-55.5	-61.3	0	0	0	108.5	R950 K956 F967 R970	R950-Y958 VanDerWaalsContact NH1-CE2 3.26Å; R950-Y958 PolarHBondContact NH1-OH 3.44Å; R950-Y958 VanDerWaalsContact NH1-OH 3.09Å; K956-Y958 PolarHBondContact O-N 3.04Å; Y958-F967 WeakPolarHBondContact CD2-O 3.27Å; Y958-F967 PolarHBondContact N-O 3Å; Y958-F967 PolarHBondContact O-N 2.86Å; Y958-R970 HydrophobicContact CD1-CB 4.22Å; Y958-R970 HydrophobicContact CD2-CB 4.3Å; Y958-R970 VanDerWaalsContact CD2-N 3.26Å; Y958-R970 HydrophobicContact CE1-CB 4.13Å; Y958-R970 HydrophobicContact CE2-CB 4.17Å; Y958-R970 VanDerWaalsContact CE2-N 3.33Å; Y958-R970 HydrophobicContact CG-CB 4.32Å
959	G	64.9	Low	68.7	Low	31 Å²	31	75 Å²	75	32%	0.32	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	147.5	166.4	0	0	0	0	0	111.2	L973	G959-L973 VanDerWaalsContact O-CD2 3.26Å; G959-L973 WeakPolarHBondContact O-CD2 3.33Å
960	C	73	Confident	68.5	Low	12 Å²	12	79.6 Å²	79.6	8%	0.081	41%	0.413	C	S	.	.			trans	-77.7	144.9	156.3	172.3	0	0	0	0	108.2	D962 C963 K965 L973 H980	C960-D962 PolarHBondContact SG-N 2.94Å; C960-D962 VanDerWaalsContact SG-N 3.37Å; C960-D962 PolarHBondContact SG-OD2 3.05Å; C960-C963 CarbonylContact C-O 3.48Å; C960-C963 VanDerWaalsContact CB-O 3.3Å; C960-C963 WeakPolarHBondContact CB-O 3.37Å; C960-C963 VanDerWaalsContact O-O 3.06Å; C960-C963 PolarHBondContact SG-N 3.08Å; C960-K965 PolarHBondContact N-O 3.21Å; C960-L973 HydrophobicContact CB-CD1 3.69Å; C960-H980 VanDerWaalsContact SG-CD2 3.52Å; C960-H980 PolarHBondContact SG-NE2 3.24Å
961	N	69.4	Low	68.1	Low	150 Å²	150	85 Å²	85	80%	0.802	44%	0.438	S	S	*	.	S	Bend	trans	-83.7	-26.3	176	-67.4	4.1	0	0	0	110.6
962	D	66.2	Low	68.3	Low	95 Å²	95	84.8 Å²	84.8	51%	0.508	44%	0.438	S	S	.	.	S	Bend	trans	-90.9	-19.4	-166.5	-28.9	-80.8	0	0	0	110.8	C960 H980	C960-D962 PolarHBondContact SG-N 2.94Å; C960-D962 VanDerWaalsContact SG-N 3.37Å; C960-D962 PolarHBondContact SG-OD2 3.05Å; D962-H980 HydrophobicContact CB-CB 4.15Å
963	C	72.9	Confident	68.5	Low	39 Å²	39	82.5 Å²	82.5	26%	0.264	43%	0.428	S	S	.	.	S	Bend	trans	-156	160.8	160.8	73.8	0	0	0	0	111.1	C960 K965 H976 H980	C960-C963 CarbonylContact C-O 3.48Å; C960-C963 VanDerWaalsContact CB-O 3.3Å; C960-C963 WeakPolarHBondContact CB-O 3.37Å; C960-C963 VanDerWaalsContact O-O 3.06Å; C960-C963 PolarHBondContact SG-N 3.08Å; C963-K965 PolarHBondContact O-N 2.82Å; C963-H976 PolarHBondContact SG-NE2 2.9Å; C963-H980 VanDerWaalsContact SG-CE1 3.52Å; C963-H980 PolarHBondContact SG-NE2 3.43Å; C963-H980 VanDerWaalsContact SG-NE2 3.44Å
964	S	66.1	Low	68.9	Low	121 Å²	121	82.5 Å²	82.5	85%	0.846	43%	0.428	S	S	*	.	S	Bend	trans	-66.2	13	-175	-40.2	0	0	0	0	116.3	V966	S964-V966 PolarHBondContact O-N 3.44Å
965	K	65.8	Low	69.2	Low	131 Å²	131	85.6 Å²	85.6	57%	0.57	44%	0.44	S	S	*	.			trans	-75.5	123	178.9	-71.5	174	-179.4	165.1	0	110.4	C960 C963 F967	C960-K965 PolarHBondContact N-O 3.21Å; C963-K965 PolarHBondContact O-N 2.82Å; K965-F967 HydrophobicContact CB-CE2 3.7Å; K965-F967 HydrophobicContact CB-CZ 3.86Å; K965-F967 VanDerWaalsContact O-CE2 3.26Å; K965-F967 WeakPolarHBondContact O-CE2 3.45Å
966	V	69.6	Low	69.7	Low	70 Å²	70	82 Å²	82	42%	0.424	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	138.7	-178.1	-78.1	0	0	0	0	112	K956 S964	K956-V966 HydrophobicContact CB-CB 3.79Å; K956-V966 HydrophobicContact CB-CG2 4.03Å; K956-V966 HydrophobicContact CD-CB 4.25Å; K956-V966 HydrophobicContact CD-CG2 3.64Å; K956-V966 WeakPolarHBondContact CD-O 3.32Å; S964-V966 PolarHBondContact O-N 3.44Å
967	F	73.6	Confident	69.7	Low	42 Å²	42	79.7 Å²	79.7	18%	0.184	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	145	-170.2	-61.3	-91.3	0	0	0	113.3	K956 Y958 K965 N972 L973 H976	K956-F967 CarbonylContact C-O 3.51Å; K956-F967 WeakPolarHBondContact CA-O 3.47Å; Y958-F967 WeakPolarHBondContact CD2-O 3.27Å; Y958-F967 PolarHBondContact N-O 3Å; Y958-F967 PolarHBondContact O-N 2.86Å; K965-F967 HydrophobicContact CB-CE2 3.7Å; K965-F967 HydrophobicContact CB-CZ 3.86Å; K965-F967 VanDerWaalsContact O-CE2 3.26Å; K965-F967 WeakPolarHBondContact O-CE2 3.45Å; F967-N972 HydrophobicContact CB-CB 4.37Å; F967-N972 HydrophobicContact CD1-CB 3.86Å; F967-N972 HydrophobicContact CG-CB 4.42Å; F967-L973 HydrophobicContact CB-CB 4.26Å; F967-L973 HydrophobicContact CD2-CB 4.13Å; F967-L973 HydrophobicContact CD2-CD1 3.92Å; F967-L973 HydrophobicContact CE2-CD1 4.23Å; F967-L973 HydrophobicContact CG-CB 4.32Å; F967-H976 HydrophobicContact CE1-CB 4.03Å; F967-H976 HydrophobicContact CE2-CB 3.99Å; F967-H976 AromaticContact CE2-CD2 3.21Å; F967-H976 WeakPolarHBondContact CE2-CD2 3.31Å; F967-H976 AromaticContact CE2-CG 3.74Å; F967-H976 HydrophobicContact CZ-CB 3.54Å; F967-H976 AromaticContact CZ-CD2 3.28Å; F967-H976 WeakPolarHBondContact CZ-CD2 3.32Å; F967-H976 AromaticContact CZ-CG 3.34Å
968	R	64	Low	69.8	Low	95 Å²	95	83.9 Å²	83.9	36%	0.358	43%	0.425	S	S	.	.	S	Bend	trans	-73.2	-27.5	177.4	-63	-166.7	165.1	148.2	-4.4	113.7	R950 G954 E955 K956	R950-R968 PolarHBondContact O-NE 2.83Å; G954-R968 PolarHBondContact O-NE 2.88Å; G954-R968 PolarHBondContact O-NH2 3.35Å; E955-R968 WeakPolarHBondContact O-CG 3.48Å; K956-R968 HydrophobicContact CG-CG 3.89Å
969	Q	64.6	Low	69.7	Low	97 Å²	97	86.7 Å²	86.7	45%	0.453	44%	0.443	S	S	.	.	S	Bend	trans	-130.4	139.6	-177.9	-59.8	-168.6	32.5	0	0	111.7	K971 N972 L973	Q969-K971 VanDerWaalsContact C-N 3.26Å; Q969-K971 PolarHBondContact O-N 3.49Å; Q969-N972 PolarHBondContact O-N 3.36Å; Q969-N972 VanDerWaalsContact O-N 3.11Å; Q969-L973 PolarHBondContact O-N 3.11Å
970	R	68.7	Low	69.9	Low	162 Å²	162	88.9 Å²	88.9	61%	0.611	45%	0.445	S	S	*	.	H	α-helix	trans	-60.5	-32.4	178.9	-178.4	174.8	-72.6	148.8	-5.5	113	Y958 N972 L973 T974	Y958-R970 HydrophobicContact CD1-CB 4.22Å; Y958-R970 HydrophobicContact CD2-CB 4.3Å; Y958-R970 VanDerWaalsContact CD2-N 3.26Å; Y958-R970 HydrophobicContact CE1-CB 4.13Å; Y958-R970 HydrophobicContact CE2-CB 4.17Å; Y958-R970 VanDerWaalsContact CE2-N 3.33Å; Y958-R970 HydrophobicContact CG-CB 4.32Å; R970-N972 VanDerWaalsContact C-N 3.31Å; R970-N972 PolarHBondContact O-N 3.14Å; R970-L973 PolarHBondContact O-N 3.08Å; R970-T974 PolarHBondContact O-N 3.42Å; R970-T974 PolarHBondContact O-OG1 3.45Å; R970-T974 VanDerWaalsContact O-OG1 3.07Å
971	K	68.7	Low	69.2	Low	164 Å²	164	92.9 Å²	92.9	71%	0.713	47%	0.469	S	S	*	.	H	α-helix	trans	-56	-46.6	174.3	-76.8	-168.6	172.1	-166.7	0	111.6	Q969 T974 V975	Q969-K971 VanDerWaalsContact C-N 3.26Å; Q969-K971 PolarHBondContact O-N 3.49Å; K971-T974 PolarHBondContact O-N 2.92Å; K971-V975 WeakPolarHBondContact O-CG2 3.47Å; K971-V975 PolarHBondContact O-N 3.15Å
972	N	74	Confident	68.1	Low	86 Å²	86	92.4 Å²	92.4	46%	0.46	47%	0.466	S	S	.	.	H	α-helix	trans	-68	-37.4	-179	-57.2	46	0	0	0	111	F967 Q969 R970 H976	F967-N972 HydrophobicContact CB-CB 4.37Å; F967-N972 HydrophobicContact CD1-CB 3.86Å; F967-N972 HydrophobicContact CG-CB 4.42Å; Q969-N972 PolarHBondContact O-N 3.36Å; Q969-N972 VanDerWaalsContact O-N 3.11Å; R970-N972 VanDerWaalsContact C-N 3.31Å; R970-N972 PolarHBondContact O-N 3.14Å; N972-H976 VanDerWaalsContact O-CB 3.31Å; N972-H976 WeakPolarHBondContact O-CB 3.48Å; N972-H976 PolarHBondContact O-N 3.43Å
973	L	76.3	Confident	66.8	Low	15 Å²	15	96.6 Å²	96.6	8%	0.079	48%	0.483	C	S	.	.	H	α-helix	trans	-60.5	-48.7	169.2	174.4	63	0	0	0	111.2	G959 C960 F967 Q969 R970 V975 H976 Q977	G959-L973 VanDerWaalsContact O-CD2 3.26Å; G959-L973 WeakPolarHBondContact O-CD2 3.33Å; C960-L973 HydrophobicContact CB-CD1 3.69Å; F967-L973 HydrophobicContact CB-CB 4.26Å; F967-L973 HydrophobicContact CD2-CB 4.13Å; F967-L973 HydrophobicContact CD2-CD1 3.92Å; F967-L973 HydrophobicContact CE2-CD1 4.23Å; F967-L973 HydrophobicContact CG-CB 4.32Å; Q969-L973 PolarHBondContact O-N 3.11Å; R970-L973 PolarHBondContact O-N 3.08Å; L973-V975 VanDerWaalsContact C-N 3.33Å; L973-V975 PolarHBondContact O-N 2.89Å; L973-H976 CarbonylContact O-C 3.19Å; L973-H976 WeakPolarHBondContact O-CA 3.27Å; L973-H976 WeakPolarHBondContact O-CB 3.4Å; L973-H976 PolarHBondContact O-N 3.32Å; L973-Q977 HydrophobicContact CD1-CG 3.8Å; L973-Q977 HydrophobicContact CG-CG 4.14Å; L973-Q977 WeakPolarHBondContact O-CG 3.5Å; L973-Q977 PolarHBondContact O-N 3.16Å
974	T	71.3	Confident	64.8	Low	70 Å²	70	104 Å²	104	43%	0.429	51%	0.511	S	S	.	.	H	α-helix	trans	-64.8	-34.5	-179.5	-55.4	0	0	0	0	112.8	R970 K971 H976 K978	R970-T974 PolarHBondContact O-N 3.42Å; R970-T974 PolarHBondContact O-OG1 3.45Å; R970-T974 VanDerWaalsContact O-OG1 3.07Å; K971-T974 PolarHBondContact O-N 2.92Å; T974-H976 VanDerWaalsContact C-N 3.35Å; T974-K978 PolarHBondContact O-N 3.31Å
975	V	72.3	Confident	63.4	Low	100 Å²	100	103.9 Å²	103.9	61%	0.606	51%	0.507	S	S	*	.	H	α-helix	trans	-67.6	-36.4	171	170.7	0	0	0	0	111.1	K971 L973 K978	K971-V975 WeakPolarHBondContact O-CG2 3.47Å; K971-V975 PolarHBondContact O-N 3.15Å; L973-V975 VanDerWaalsContact C-N 3.33Å; L973-V975 PolarHBondContact O-N 2.89Å; V975-K978 WeakPolarHBondContact O-CB 3.36Å
976	H	74.3	Confident	61.6	Low	16 Å²	16	103.3 Å²	103.3	7%	0.074	52%	0.518	C	S	.	.	H	α-helix	trans	-74.4	-35.3	176.2	174.9	51.6	0	0	0	113.6	C963 F967 N972 L973 T974 K978 I979 H980	C963-H976 PolarHBondContact SG-NE2 2.9Å; F967-H976 HydrophobicContact CE1-CB 4.03Å; F967-H976 HydrophobicContact CE2-CB 3.99Å; F967-H976 AromaticContact CE2-CD2 3.21Å; F967-H976 WeakPolarHBondContact CE2-CD2 3.31Å; F967-H976 AromaticContact CE2-CG 3.74Å; F967-H976 HydrophobicContact CZ-CB 3.54Å; F967-H976 AromaticContact CZ-CD2 3.28Å; F967-H976 WeakPolarHBondContact CZ-CD2 3.32Å; F967-H976 AromaticContact CZ-CG 3.34Å; N972-H976 VanDerWaalsContact O-CB 3.31Å; N972-H976 WeakPolarHBondContact O-CB 3.48Å; N972-H976 PolarHBondContact O-N 3.43Å; L973-H976 CarbonylContact O-C 3.19Å; L973-H976 WeakPolarHBondContact O-CA 3.27Å; L973-H976 WeakPolarHBondContact O-CB 3.4Å; L973-H976 PolarHBondContact O-N 3.32Å; T974-H976 VanDerWaalsContact C-N 3.35Å; H976-K978 PolarHBondContact O-N 3.37Å; H976-I979 WeakPolarHBondContact O-CA 3.49Å; H976-I979 VanDerWaalsContact O-CB 3.26Å; H976-I979 WeakPolarHBondContact O-CB 3.27Å; H976-I979 WeakPolarHBondContact O-CG1 3.43Å; H976-I979 PolarHBondContact O-N 2.88Å; H976-H980 AromaticContact CD2-NE2 3.87Å; H976-H980 AromaticContact CE1-CD2 3.93Å; H976-H980 AromaticContact CE1-CE1 3.98Å; H976-H980 AromaticContact CE1-NE2 3.15Å; H976-H980 PolarHBondContact CE1-NE2 3.05Å; H976-H980 AromaticContact NE2-CD2 3.84Å; H976-H980 AromaticContact NE2-NE2 3.02Å; H976-H980 PolarHBondContact NE2-NE2 3.27Å
977	Q	70	Confident	59.5	Low	65 Å²	65	109 Å²	109	30%	0.304	54%	0.54	S	S	.	.	H	α-helix	trans	-63.1	-30.7	175	-74.1	180	-64.9	0	0	111.6	L973 I979 H980 T981	L973-Q977 HydrophobicContact CD1-CG 3.8Å; L973-Q977 HydrophobicContact CG-CG 4.14Å; L973-Q977 WeakPolarHBondContact O-CG 3.5Å; L973-Q977 PolarHBondContact O-N 3.16Å; Q977-I979 PolarHBondContact O-N 3.21Å; Q977-I979 VanDerWaalsContact O-N 3.17Å; Q977-H980 PolarHBondContact O-N 3.44Å; Q977-T981 PolarHBondContact O-N 3.13Å
978	K	71.6	Confident	57.2	Low	151 Å²	151	113.1 Å²	113.1	66%	0.657	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	-11.1	169.1	-75.8	-176.3	163.1	-128.8	0	115	T974 V975 H976 T981	T974-K978 PolarHBondContact O-N 3.31Å; V975-K978 WeakPolarHBondContact O-CB 3.36Å; H976-K978 PolarHBondContact O-N 3.37Å; K978-T981 WeakPolarHBondContact CA-OG1 3.38Å
979	I	67	Low	55.3	Low	108 Å²	108	115.9 Å²	115.9	55%	0.554	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	-9.6	174.7	-44.7	174.9	0	0	0	110.8	H976 Q977	H976-I979 WeakPolarHBondContact O-CA 3.49Å; H976-I979 VanDerWaalsContact O-CB 3.26Å; H976-I979 WeakPolarHBondContact O-CB 3.27Å; H976-I979 WeakPolarHBondContact O-CG1 3.43Å; H976-I979 PolarHBondContact O-N 2.88Å; Q977-I979 PolarHBondContact O-N 3.21Å; Q977-I979 VanDerWaalsContact O-N 3.17Å
980	H	69.3	Low	53.6	Low	78 Å²	78	116.6 Å²	116.6	36%	0.361	61%	0.605	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.7	-12.9	170.4	-60.9	-74.7	0	0	0	112.3	C960 D962 C963 H976 Q977	C960-H980 VanDerWaalsContact SG-CD2 3.52Å; C960-H980 PolarHBondContact SG-NE2 3.24Å; D962-H980 HydrophobicContact CB-CB 4.15Å; C963-H980 VanDerWaalsContact SG-CE1 3.52Å; C963-H980 PolarHBondContact SG-NE2 3.43Å; C963-H980 VanDerWaalsContact SG-NE2 3.44Å; H976-H980 AromaticContact CD2-NE2 3.87Å; H976-H980 AromaticContact CE1-CD2 3.93Å; H976-H980 AromaticContact CE1-CE1 3.98Å; H976-H980 AromaticContact CE1-NE2 3.15Å; H976-H980 PolarHBondContact CE1-NE2 3.05Å; H976-H980 AromaticContact NE2-CD2 3.84Å; H976-H980 AromaticContact NE2-NE2 3.02Å; H976-H980 PolarHBondContact NE2-NE2 3.27Å; Q977-H980 PolarHBondContact O-N 3.44Å
981	T	57	Low	51.7	Low	95 Å²	95	113.8 Å²	113.8	58%	0.583	61%	0.61	S	S	*	*			trans	-107.2	64.5	177	64.6	0	0	0	0	110.5	Q977 K978 E983	Q977-T981 PolarHBondContact O-N 3.13Å; K978-T981 WeakPolarHBondContact CA-OG1 3.38Å; T981-E983 PolarHBondContact O-N 2.97Å
982	D	46.4	Very low	49.8	Very low	140 Å²	140	112.6 Å²	112.6	75%	0.749	61%	0.607	S	S	*	*			trans	-74.5	71.8	171.7	-80.2	-22.6	0	0	0	110.8	K984	D982-K984 PolarHBondContact O-N 3.29Å
983	E	39.7	Very low	47.6	Very low	184 Å²	184	115.8 Å²	115.8	86%	0.86	62%	0.617	S	S	*	*			trans	-73.1	112.9	147.9	-76.3	-172.6	157.8	0	0	107.2	T981 P985	T981-E983 PolarHBondContact O-N 2.97Å; E983-P985 WeakPolarHBondContact O-CD 3.45Å
984	K	31.6	Very low	45.2	Very low	195 Å²	195	123.3 Å²	123.3	85%	0.848	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-51.9	127.9	-180	-73.8	-174.5	176.2	-175.4	0	111.3	D982	D982-K984 PolarHBondContact O-N 3.29Å
985	P	36.3	Very low	42.9	Very low	118 Å²	118	129.8 Å²	129.8	77%	0.766	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-57	141.9	145.4	-15.4	30.6	0	0	0	108.8	E983	E983-P985 WeakPolarHBondContact O-CD 3.45Å
986	C	26.4	Very low	40.6	Very low	118 Å²	118	130.2 Å²	130.2	80%	0.797	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-62.3	165.5	173	-61.2	0	0	0	0	111.7
987	E	26.5	Very low	38.2	Very low	190 Å²	190	137.6 Å²	137.6	89%	0.888	72%	0.715	S	S	*	*			trans	-45.2	136.8	-165.9	-68.8	132.5	156.9	0	0	115.6
988	C	25	Very low	36	Very low	128 Å²	128	140.1 Å²	140.1	87%	0.865	74%	0.735	S	S	*	*			trans	-91.4	135.7	154.2	-54.7	0	0	0	0	107.6
989	D	24.3	Very low	33.8	Very low	153 Å²	153	137.9 Å²	137.9	82%	0.818	74%	0.738	S	S	*	*			trans	-100	130.3	171	-142.1	-6	0	0	0	110.4
990	V	29.6	Very low	31.9	Very low	112 Å²	112	137.9 Å²	137.9	68%	0.679	75%	0.748	S	S	*	*			trans	29.5	128.3	170.8	-128.5	0	0	0	0	122
991	S	28.4	Very low	30	Very low	103 Å²	103	141.4 Å²	141.4	72%	0.72	77%	0.767	S	S	*	*			trans	62.3	152.4	138.7	59.7	0	0	0	0	121.2
992	E	28.7	Very low	28.7	Very low	140 Å²	140	144.9 Å²	144.9	65%	0.654	78%	0.777	S	S	*	*			cis	-165.4	150.9	-16.2	-111.8	-166.3	149.1	0	0	108
993	K	28.3	Very low	27.8	Very low	153 Å²	153	144.5 Å²	144.5	67%	0.665	77%	0.774	S	S	*	*			trans	61.3	156.8	156.4	-63.6	160.2	-173.9	148.9	0	116.2
994	E	24.8	Very low	27.2	Very low	172 Å²	172	142.3 Å²	142.3	80%	0.804	76%	0.764	S	S	*	*			cis	-144.9	164.4	-13.8	-126.6	161.3	-133.9	0	0	109
995	F	24.3	Very low	27.2	Very low	207 Å²	207	139.6 Å²	139.6	91%	0.908	75%	0.754	S	S	*	*			trans	-121.1	88.5	-167.5	-155.1	-77.1	0	0	0	113.1
996	C	23.7	Very low	26.8	Very low	108 Å²	108	143.6 Å²	143.6	73%	0.73	76%	0.76	S	S	*	*			trans	-164.8	158	164.1	-97.9	0	0	0	0	109
997	Q	22.9	Very low	26.9	Very low	172 Å²	172	143.5 Å²	143.5	80%	0.804	75%	0.75	S	S	*	*			cis	-145.7	177.4	5.4	-139.6	160.1	28.9	0	0	112.6
998	T	24.9	Very low	27	Very low	117 Å²	117	142.2 Å²	142.2	72%	0.718	74%	0.744	S	S	*	*			trans	-63.8	165	-175.6	52.4	0	0	0	0	117
999	S	24	Very low	27.1	Very low	105 Å²	105	140.6 Å²	140.6	73%	0.734	73%	0.73	S	S	*	*			trans	97.2	118.7	144.8	-58.1	0	0	0	0	120.8
1000	S	28.3	Very low	27.2	Very low	107 Å²	107	140.5 Å²	140.5	75%	0.748	73%	0.728	S	S	*	*				46.9	123.5	128.3	-66.4	0	0	0	0	123.7
1001	I	29.6	Very low	27.2	Very low	152 Å²	152	142.7 Å²	142.7	78%	0.779	73%	0.73	S	S	*	*			trans	89.4	95.7	134.4	-62.5	167.8	0	0	0	119.1
1002	H	28.8	Very low	27.1	Very low	169 Å²	169	146.2 Å²	146.2	78%	0.782	74%	0.736	S	S	*	*			trans	78.3	152.6	130.3	-120.9	-76	0	0	0	123.9
1003	L	27.4	Very low	27.2	Very low	132 Å²	132	146.7 Å²	146.7	69%	0.691	74%	0.742	S	S	*	*			trans	72.3	155.3	165.3	-110.3	57.9	0	0	0	115.6
1004	Q	27.3	Very low	27	Very low	138 Å²	138	143.3 Å²	143.3	65%	0.645	74%	0.737	S	S	*	*			cis	-154.6	155.1	2.6	-163.8	156.9	-14.2	0	0	114.2
1005	Q	31.4	Very low	27.1	Very low	137 Å²	137	146 Å²	146	64%	0.64	74%	0.74	S	S	*	*			trans	7.8	137.9	159.7	-60.7	162.5	-38.7	0	0	124.5	I1007	Q1005-I1007 HydrophobicContact CB-CD1 4.07Å; Q1005-I1007 HydrophobicContact CG-CD1 4.01Å
1006	K	27.6	Very low	27.3	Very low	203 Å²	203	142.5 Å²	142.5	88%	0.883	73%	0.731	S	S	*	*				175.8	123.1	125.3	-96.7	170.8	-179	-178.4	0	107.6
1007	I	29	Very low	27.6	Very low	115 Å²	115	144.1 Å²	144.1	59%	0.59	73%	0.727	S	S	*	*			cis	79	137.4	21.6	-34.7	173.7	0	0	0	114.6	Q1005	Q1005-I1007 HydrophobicContact CB-CD1 4.07Å; Q1005-I1007 HydrophobicContact CG-CD1 4.01Å
1008	H	29.6	Very low	27.7	Very low	164 Å²	164	142.5 Å²	142.5	76%	0.759	72%	0.724	S	S	*	*			trans	82.1	134.1	167	-79.8	-70.8	0	0	0	118.4
1009	T	26.4	Very low	27.8	Very low	93 Å²	93	142.8 Å²	142.8	57%	0.571	73%	0.726	S	S	*	*			cis	-161.2	-158.9	-16.2	-11.1	0	0	0	0	111.2
1010	I	27	Very low	28	Very low	152 Å²	152	144.6 Å²	144.6	78%	0.779	72%	0.723	S	S	*	*			trans	91.2	94.3	163.1	-55.6	175.5	0	0	0	110.7
1011	E	27.9	Very low	28	Very low	157 Å²	157	146.7 Å²	146.7	73%	0.734	72%	0.72	S	S	*	*			cis	55	103.8	48.8	-59	177.2	124.4	0	0	110.4
1012	E	28.3	Very low	28	Very low	178 Å²	178	144.2 Å²	144.2	83%	0.832	72%	0.716	S	S	*	*				177.2	169	82	-107.7	173.4	175.3	0	0	106.6
1013	L	30.1	Very low	28.1	Very low	149 Å²	149	145.5 Å²	145.5	78%	0.78	72%	0.72	S	S	*	*			cis	-148.5	179.1	19.9	-129.1	163.9	0	0	0	110.3
1014	S	24	Very low	28.4	Very low	82 Å²	82	145.6 Å²	145.6	57%	0.573	72%	0.72	S	S	*	*			trans	-103.3	138.7	-165.4	55.2	0	0	0	0	115.8
1015	W	26.9	Very low	28.7	Very low	229 Å²	229	146.7 Å²	146.7	87%	0.867	73%	0.725	S	S	*	*			trans	65.8	160.9	151.9	-59.1	32.5	0	0	0	114
1016	L	28.3	Very low	28.7	Very low	134 Å²	134	146.4 Å²	146.4	70%	0.702	73%	0.726	S	S	*	*			cis	-134	139.2	23.4	-81.8	163.4	0	0	0	109.4
1017	Q	29.6	Very low	29	Very low	142 Å²	142	143.2 Å²	143.2	66%	0.664	72%	0.715	S	S	*	*				66.4	112.1	88.3	-159.6	164.6	-17.9	0	0	114.9
1018	N	25.7	Very low	29.4	Very low	138 Å²	138	146 Å²	146	74%	0.738	72%	0.722	S	S	*	*			trans	24.3	135.9	131.1	-57.4	-20.4	0	0	0	117.7
1019	T	26.6	Very low	29.8	Very low	122 Å²	122	149.7 Å²	149.7	75%	0.748	75%	0.745	S	S	*	*			cis	-165.7	-170.2	20.2	6.6	0	0	0	0	107.6
1020	H	28.4	Very low	29.9	Very low	144 Å²	144	152.5 Å²	152.5	67%	0.667	75%	0.754	S	S	*	*			cis	-172.5	158	39.5	-148.1	-113.7	0	0	0	109.9
1021	E	29.2	Very low	30.1	Very low	151 Å²	151	152.5 Å²	152.5	71%	0.706	75%	0.752	S	S	*	*			trans	48.1	116	150.7	-80.7	176.6	154.6	0	0	126.3
1022	S	29.5	Very low	30.2	Very low	99 Å²	99	152.3 Å²	152.3	69%	0.692	75%	0.753	S	S	*	*				56	110.2	104.3	-52.2	0	0	0	0	123.2
1023	K	30.7	Very low	30.3	Very low	196 Å²	196	150.8 Å²	150.8	85%	0.852	75%	0.749	S	S	*	*			trans	-160.6	135.1	139.6	-109	161.5	-174.1	175.9	0	107.6
1024	I	33.3	Very low	30.4	Very low	135 Å²	135	150.9 Å²	150.9	69%	0.692	75%	0.747	S	S	*	*			cis	64.6	113	42.7	-54	-179.7	0	0	0	108.2
1025	E	32.6	Very low	30.8	Very low	161 Å²	161	155.5 Å²	155.5	75%	0.752	76%	0.758	S	S	*	*			cis	-154.2	140.6	33.1	-121.2	162.1	136.2	0	0	110.6
1026	I	32.6	Very low	31.1	Very low	131 Å²	131	150.2 Å²	150.2	67%	0.672	75%	0.751	S	S	*	*				85	129.7	98	-83.3	-170.3	0	0	0	119.3
1027	Q	33	Very low	31.3	Very low	136 Å²	136	151.5 Å²	151.5	64%	0.636	75%	0.754	S	S	*	*			trans	67.4	129.9	153.8	-85.5	173.5	53.3	0	0	123.9
1028	K	37.2	Very low	31.4	Very low	174 Å²	174	152.3 Å²	152.3	76%	0.757	76%	0.762	S	S	*	*			trans	68.9	142.5	147.2	-63.5	159.6	-180	160	0	115.9
1029	I	38.3	Very low	31.9	Very low	240 Å²	240	153.5 Å²	153.5	100%	1.231	76%	0.764	S	S	*	*			cis	-100.1	0	11.7	-67.7	169.4	0	0	0	111.7

Retrieved 1,029 of 1,029 residues in 258.8 ms (Link to these results)

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