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Mast/stem cell growth factor receptor Kit

Tyrosine-protein kinase that acts as a cell-surface receptor for the cytokine KITLG/SCF and plays an essential role in the regulation of cell survival and proliferation, hematopoiesis, stem cell maintenance, gametogenesis, mast cell development, migration and function, and in melanogenesis. In response to KITLG/SCF binding, KIT can activate several signaling pathways. Phosphorylates PIK3R1, PLCG1, SH2B2/APS and CBL. Activates the AKT1 signaling pathway by phosphorylation of PIK3R1, the regulatory subunit of phosphatidylinositol 3-kinase. Activated KIT also transmits signals via GRB2 and activation of RAS, RAF1 and the MAP kinases MAPK1/ERK2 and/or MAPK3/ERK1. Promotes activation of STAT family members STAT1, STAT3, STAT5A and STAT5B. Activation of PLCG1 leads to the production of the cellular signaling molecules diacylglycerol and inositol 1,4,5-trisphosphate. KIT signaling is modulated by protein phosphatases, and by rapid internalization and degradation of the receptor. Activated KIT promotes phosphorylation of the protein phosphatases PTPN6/SHP-1 and PTPRU, and of the transcription factors STAT1, STAT3, STAT5A and STAT5B. Promotes phosphorylation of PIK3R1, CBL, CRK (isoform Crk-II), LYN, MAPK1/ERK2 and/or MAPK3/ERK1, PLCG1, SRC and SHC1 (By similarity).

AlphaFold DB , UniProt , Accession P43481, Species BOVIN (Bos taurus, Bovine), Gene KIT, Length 977 aa.

						>KIT_BOVIN|P43481|KIT
MRGARGAWDFLFVLLLLLLVQTGSSQPSVSPGELSLPSIHPAKSELIVSVGDEIRLLCTDPGFVKWTFEILGQLSEKTNPEWITEKAEATNTGNYTCTNKGGLSSSIYVFVRDPEKLFLIDLPLYGKEENDTLVRCPLTDPEVTNYSLTGCEGKPLPKDLTFVADPKAGITIRNVKREYHRLCLHCSANQRGKSMLSKKFTLKVRAAIKAVPVVSVSKTSYLLREGEEFAVTCLIKDVSSSVDSMWIKENSQQTKAQTKKNSWHQGDFSYLRQERLTISSARVNDSGVFMCYANNTFGSANVTTTLEVVDKGFINIFPMMNTTVFVNDGENVDLVVEYEAYPKPVHRQWIYMNRTSTDKWDDYPKSENESNIRYVNELHLTRLKGTEGGTYTFHVSNSDVNSSVTFNVYVNTKPEILTHDRLVNGMLQCVAAGFPEPTIDWYFCPGTEQRCSVPVGPVDVQIQNSSVSPFGKLVVYSTIDDSTFKHNGTVECRAYNDVGKSSASFNFAFKGNSKEQIHAHTLFTPLLIGFVIAAGLMCIFVMILTYKYLQKPMYEVQWKVVEEINGNNYVYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAYGLIKSDAAMTVAVKMLKPSAHLTEREALMSELKVLSYLGNHMNIVNLLGACTIGGPTLVITEYCCYGDLLNFLRRKRDSFICSKQEDHAEVALYKNLLHSKESSCNDSTNEYMDMKPGVSYVVPTKADKRRSARIGSYIERDVTPAIMEDDELALDLEDLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGRITKICDFGLARDIKNDSNYVVKGNARLPVKWMAPESIFNCVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMLSPEHAPAEMYDIMKTCWDADPLKRPTFKQIVQLIEKQISESTNHIYSNLANCSPHRENPAVDHSVRINSVGSSASSTQPLLVHEDV
					

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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	38	Very low	37.3	Very low	244 Å²	244	168.5 Å²	168.5	100%	1.202	88%	0.877	S	S	*	*				0	87	0	-66.8	172.1	172	0	0	106.1
2	R	34	Very low	37.5	Very low	261 Å²	261	171.6 Å²	171.6	99%	0.985	88%	0.879	S	S	*	*				56.9	119.8	84.3	-95.2	-169.4	-177.1	-165.8	1.8	114.7
3	G	35.4	Very low	37.9	Very low	77 Å²	77	168.1 Å²	168.1	79%	0.794	87%	0.87	S	S	*	*			trans	105.8	101.3	151.6	0	0	0	0	0	114.1
4	A	38.1	Very low	38	Very low	94 Å²	94	168.5 Å²	168.5	78%	0.777	87%	0.873	S	S	*	*			cis	95.7	141.9	38.9	0	0	0	0	0	114.5
5	R	39.7	Very low	38.1	Very low	254 Å²	254	168.5 Å²	168.5	96%	0.958	87%	0.874	S	S	*	*			trans	90	135.3	160.3	-60.1	175	170.2	-178	-4.9	116.2
6	G	37.5	Very low	38.3	Very low	66 Å²	66	168.6 Å²	168.6	68%	0.68	88%	0.875	S	S	*	*			cis	169.6	128.1	3.7	0	0	0	0	0	107.1
7	A	35.9	Very low	38.3	Very low	94 Å²	94	168.8 Å²	168.8	78%	0.777	88%	0.877	S	S	*	*				80.6	101.4	95.6	0	0	0	0	0	114.9
8	W	37.7	Very low	38.4	Very low	260 Å²	260	168.6 Å²	168.6	99%	0.985	88%	0.876	S	S	*	*			trans	-144.1	75	152.7	-86.4	73.6	0	0	0	108.6
9	D	38.6	Very low	38.5	Very low	152 Å²	152	168.7 Å²	168.7	81%	0.813	88%	0.877	S	S	*	*			trans	-136.8	152.2	156.2	-87.9	-40.9	0	0	0	105.1
10	F	37.8	Very low	38.7	Very low	191 Å²	191	166.8 Å²	166.8	84%	0.838	87%	0.872	S	S	*	*			trans	99.3	76.8	-174.6	-66.7	-83.4	0	0	0	116.5
11	L	38	Very low	38.7	Very low	161 Å²	161	167 Å²	167	84%	0.843	87%	0.869	S	S	*	*	S	Bend	trans	-149.6	62	155.5	-141.7	144.2	0	0	0	110.8
12	F	39.5	Very low	38.8	Very low	205 Å²	205	162.4 Å²	162.4	90%	0.899	86%	0.855	S	S	*	*	S	Bend	trans	-160.5	8.1	161.4	-123.8	-84.3	0	0	0	116.9
13	V	42.2	Very low	38.9	Very low	126 Å²	126	153.6 Å²	153.6	76%	0.764	85%	0.845	S	S	*	*	S	Bend	trans	-123.1	15.1	-172.3	-172.5	0	0	0	0	114.2
14	L	39.5	Very low	38.9	Very low	174 Å²	174	155.8 Å²	155.8	91%	0.911	85%	0.848	S	S	*	*			trans	-140.1	62.1	-177.3	-131.6	110	0	0	0	113.6
15	L	40.5	Very low	38.9	Very low	168 Å²	168	156.9 Å²	156.9	88%	0.88	85%	0.85	S	S	*	*	S	Bend	trans	-134.9	8.7	171.1	-140.2	102.4	0	0	0	116.4
16	L	39.9	Very low	38.8	Very low	171 Å²	171	153.7 Å²	153.7	90%	0.895	85%	0.846	S	S	*	*	S	Bend	trans	-138.6	27.9	-173.8	-86.4	163.5	0	0	0	115.7
17	L	39.8	Very low	38.9	Very low	172 Å²	172	155.6 Å²	155.6	90%	0.901	85%	0.847	S	S	*	*			trans	-128.5	53.3	175.2	-83.9	167.2	0	0	0	112.9
18	L	40.2	Very low	38.8	Very low	164 Å²	164	156.9 Å²	156.9	86%	0.859	85%	0.85	S	S	*	*			trans	-154.5	112.6	161.7	-82.7	178.1	0	0	0	109.6
19	L	39	Very low	38.9	Very low	171 Å²	171	151 Å²	151	90%	0.895	84%	0.842	S	S	*	*			trans	152.9	75.5	160	-85.1	158.1	0	0	0	107.1
20	V	42.6	Very low	39	Very low	131 Å²	131	148.6 Å²	148.6	79%	0.794	84%	0.837	S	S	*	*				56.3	112.7	92	-175.8	0	0	0	0	113.6
21	Q	38.2	Very low	39	Very low	172 Å²	172	145.7 Å²	145.7	80%	0.804	84%	0.838	S	S	*	*			trans	-35.6	136.7	171.2	-64.3	163.4	-36.8	0	0	115.4
22	T	40.7	Very low	39.6	Very low	146 Å²	146	141.2 Å²	141.2	90%	0.896	83%	0.83	S	S	*	*				169	142	107.8	41.1	0	0	0	0	110.7
23	G	36.4	Very low	40.5	Very low	76 Å²	76	140.9 Å²	140.9	78%	0.784	83%	0.832	S	S	*	*			trans	98.6	84.1	144.5	0	0	0	0	0	119.2
24	S	34.8	Very low	41.6	Very low	124 Å²	124	140.5 Å²	140.5	87%	0.867	82%	0.824	S	S	*	*			trans	-4.7	118.7	147.7	170.3	0	0	0	0	119.2
25	S	38.4	Very low	43.6	Very low	116 Å²	116	135.7 Å²	135.7	81%	0.811	81%	0.806	S	S	*	*			trans	-168.9	123.7	130.3	42.6	0	0	0	0	111.5
26	Q	37.9	Very low	45.9	Very low	188 Å²	188	133 Å²	133	88%	0.879	79%	0.792	S	S	*	*			trans	-74	175.6	179.7	-138.6	-173.9	-14.4	0	0	111.5
27	P	38.5	Very low	48.4	Very low	106 Å²	106	125 Å²	125	69%	0.688	75%	0.749	S	S	*	*				-122.2	161.6	-80.6	39.3	-25.7	0	0	0	112.8
28	S	35.6	Very low	50.9	Low	121 Å²	121	119.3 Å²	119.3	85%	0.846	73%	0.725	S	S	*	*			trans	-147.3	96.2	154.6	50.2	0	0	0	0	110.3	S30	S28-S30 PolarHBondContact O-N 3.5Å
29	V	38.3	Very low	53.5	Low	135 Å²	135	112.3 Å²	112.3	82%	0.818	69%	0.688	S	S	*	*			trans	-69.7	118.4	173.7	172.7	0	0	0	0	108.6
30	S	40.3	Very low	56.2	Low	102 Å²	102	108.6 Å²	108.6	71%	0.713	67%	0.665	S	S	*	*			trans	-62.2	125.2	163.7	31	0	0	0	0	109.9	S28 G32	S28-S30 PolarHBondContact O-N 3.5Å; S30-G32 PolarHBondContact O-N 3.43Å
31	P	38.7	Very low	58.6	Low	131 Å²	131	104.5 Å²	104.5	85%	0.851	64%	0.642	S	S	*	*	S	Bend	trans	-78.2	112.9	178	30.3	-29.1	0	0	0	108.7
32	G	51.1	Low	61	Low	66 Å²	66	100.6 Å²	100.6	68%	0.68	64%	0.639	S	S	*	*			trans	165.4	-8.4	170.7	0	0	0	0	0	120.2	S30 L34	S30-G32 PolarHBondContact O-N 3.43Å; G32-L34 PolarHBondContact O-N 3Å
33	E	57.7	Low	63.4	Low	199 Å²	199	99.9 Å²	99.9	93%	0.93	62%	0.624	S	S	*	*			trans	-83.7	113.5	176.2	-84.3	-176.2	157.8	0	0	111.3
34	L	66.5	Low	66	Low	117 Å²	117	100.6 Å²	100.6	61%	0.613	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-71.6	124	170.9	-77.2	104.7	0	0	0	110.3	G32 L103	G32-L34 PolarHBondContact O-N 3Å; L34-L103 HydrophobicContact CB-CD1 3.57Å; L34-L103 HydrophobicContact CB-CG 4.46Å; L34-L103 WeakPolarHBondContact O-CD1 3.47Å
35	S	81.4	Confident	68.8	Low	74 Å²	74	98.4 Å²	98.4	52%	0.517	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-93.9	149.4	174	57.5	0	0	0	0	112.2	N99 L103	S35-N99 PolarHBondContact O-ND2 3.01Å; S35-L103 WeakPolarHBondContact O-CD1 3.28Å
36	L	88.6	Confident	71.5	Confident	111 Å²	111	94.3 Å²	94.3	58%	0.581	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-66.7	143.3	169.3	-74.7	153.3	0	0	0	110.4	L103 S104	L36-L103 HydrophobicContact CD2-CB 4.13Å; L36-S104 WeakPolarHBondContact CD2-O 3.5Å
37	P	91.8	Very high	74.3	Confident	2 Å²	2	88.3 Å²	88.3	1%	0.013	53%	0.534	C	S	.	.	P	Polyproline II helix	trans	-65.2	141.6	174.8	26.2	-32.5	0	0	0	111.2	D60 C97 S105	P37-D60 WeakPolarHBondContact CA-OD2 3.43Å; P37-D60 HydrophobicContact CB-CB 3.69Å; P37-C97 HydrophobicContact CG-CB 4.47Å; P37-C97 WeakPolarHBondContact CG-O 3.12Å; P37-S105 WeakPolarHBondContact O-CB 3.37Å; P37-S105 PolarHBondContact O-OG 2.79Å
38	S	93.3	Very high	77	Confident	54 Å²	54	83.8 Å²	83.8	38%	0.378	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	130.5	179.2	173.5	0	0	0	0	111.3	H40 C58 T59	S38-H40 PolarHBondContact OG-CE1 2.9Å; S38-C58 WeakPolarHBondContact O-CA 3.4Å; S38-T59 PolarHBondContact N-O 3.19Å; S38-T59 VanDerWaalsContact N-O 3.09Å; S38-T59 PolarHBondContact O-N 3.38Å
39	I	94.5	Very high	79.9	Confident	16 Å²	16	79.4 Å²	79.4	8%	0.082	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	137.5	178.1	-65.4	173	0	0	0	110.2	P41 A42 L57 W66 C97 S105 I107	I39-P41 CarbonylContact O-C 3.59Å; I39-A42 WeakPolarHBondContact O-CA 3.33Å; I39-L57 CarbonylContact C-O 3.33Å; I39-L57 WeakPolarHBondContact CA-O 3.44Å; I39-W66 HydrophobicContact CB-CH2 4.27Å; I39-W66 HydrophobicContact CD1-CH2 3.52Å; I39-W66 HydrophobicContact CD1-CZ3 3.74Å; I39-W66 HydrophobicContact CG1-CH2 3.58Å; I39-W66 HydrophobicContact CG1-CZ2 4.3Å; I39-W66 HydrophobicContact CG1-CZ3 4.29Å; I39-W66 HydrophobicContact CG2-CH2 3.75Å; I39-W66 HydrophobicContact CG2-CZ2 4.46Å; I39-C97 HydrophobicContact CD1-CB 4Å; I39-C97 HydrophobicContact CG1-CB 4.04Å; I39-S105 VanDerWaalsContact CD1-C 3.43Å; I39-S105 WeakPolarHBondContact CD1-O 3.24Å; I39-I107 HydrophobicContact CG2-CB 4.38Å; I39-I107 HydrophobicContact CG2-CG2 3.96Å
40	H	94.3	Very high	82.6	Confident	93 Å²	93	76 Å²	76	43%	0.431	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	130.1	171.7	-69.4	11.8	0	0	0	109.7	S38 L56 L57	S38-H40 PolarHBondContact OG-CE1 2.9Å; H40-L56 WeakPolarHBondContact O-CA 3.47Å; H40-L57 HydrophobicContact CB-CB 4.35Å; H40-L57 PolarHBondContact N-O 2.71Å; H40-L57 PolarHBondContact O-N 3.33Å
41	P	93.4	Very high	85.1	Confident	45 Å²	45	73.2 Å²	73.2	29%	0.292	44%	0.441	S	S	.	.	S	Bend	cis	-67.5	141.6	2.3	27.8	-34	0	0	0	113.3	I39 K43 L46 I107	I39-P41 CarbonylContact O-C 3.59Å; P41-K43 PolarHBondContact O-N 3.3Å; P41-L46 HydrophobicContact CG-CD1 4.21Å; P41-L46 HydrophobicContact CG-CD2 4.19Å; P41-I107 HydrophobicContact CG-CD1 4.22Å
42	A	89.9	Confident	87.8	Confident	91 Å²	91	70.8 Å²	70.8	75%	0.752	42%	0.421	S	S	*	.			trans	-77.7	63.4	-178.9	0	0	0	0	0	111.8	I39	I39-A42 WeakPolarHBondContact O-CA 3.33Å
43	K	90.6	Very high	89.9	Confident	131 Å²	131	72.4 Å²	72.4	57%	0.57	41%	0.411	S	S	*	.			trans	-123.4	150.3	175.5	-62.6	-178.5	179.1	-179.3	0	109	P41 E45 I107	P41-K43 PolarHBondContact O-N 3.3Å; K43-E45 VanDerWaalsContact C-N 3.29Å; K43-E45 WeakPolarHBondContact CB-O 3.24Å; K43-I107 HydrophobicContact CB-CD1 4.46Å; K43-I107 VanDerWaalsContact O-CD1 3.32Å; K43-I107 WeakPolarHBondContact O-CD1 3.22Å; K43-I107 WeakPolarHBondContact O-CG1 3.47Å
44	S	90.5	Very high	91.8	Very high	90 Å²	90	63 Å²	63	63%	0.629	37%	0.367	S	S	*	.	S	Bend	trans	-70.5	-31.2	170	50.6	0	0	0	0	112	Y108	S44-Y108 PolarHBondContact O-N 3.19Å
45	E	94.2	Very high	93.1	Very high	78 Å²	78	64 Å²	64	36%	0.364	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	140.2	-176.5	-64.1	173.3	-163.5	0	0	110.4	K43 Y108 F110 K167	K43-E45 VanDerWaalsContact C-N 3.29Å; K43-E45 WeakPolarHBondContact CB-O 3.24Å; E45-Y108 CarbonylContact C-O 3.5Å; E45-Y108 VanDerWaalsContact CA-O 3.26Å; E45-Y108 WeakPolarHBondContact CA-O 3.06Å; E45-F110 HydrophobicContact CG-CE2 4.39Å; E45-K167 WeakPolarHBondContact OE1-CE 2.99Å; E45-K167 IonicContact OE1-NZ 3.13Å; E45-K167 PolarHBondContact OE1-NZ 3.2Å
46	L	95.6	Very high	93.8	Very high	30 Å²	30	60.5 Å²	60.5	16%	0.157	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128.3	176.7	-179.9	66.8	0	0	0	109.3	P41 V48 L56 I107 Y108 V109 F110	P41-L46 HydrophobicContact CG-CD1 4.21Å; P41-L46 HydrophobicContact CG-CD2 4.19Å; L46-V48 HydrophobicContact CD2-CG2 3.87Å; L46-V48 HydrophobicContact CG-CG2 3.81Å; L46-L56 HydrophobicContact CD2-CD2 4.04Å; L46-I107 HydrophobicContact CB-CD1 3.95Å; L46-I107 HydrophobicContact CB-CG1 4.43Å; L46-Y108 PolarHBondContact N-O 3.34Å; L46-V109 HydrophobicContact CB-CG2 4.31Å; L46-V109 HydrophobicContact CD2-CG1 4.49Å; L46-V109 HydrophobicContact CD2-CG2 4.35Å; L46-V109 CarbonylContact O-C 3.46Å; L46-V109 VanDerWaalsContact O-CA 3.31Å; L46-V109 WeakPolarHBondContact O-CA 3.4Å; L46-F110 PolarHBondContact O-N 2.62Å
47	I	95.9	Very high	94.2	Very high	62 Å²	62	58.5 Å²	58.5	32%	0.318	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	125.3	175.1	-55.1	171.4	0	0	0	108.1	F110 R112 P141 E142	I47-F110 CarbonylContact C-O 3.59Å; I47-F110 WeakPolarHBondContact CA-O 3.45Å; I47-F110 HydrophobicContact CG1-CB 4.3Å; I47-R112 HydrophobicContact CG2-CG 4.33Å; I47-P141 HydrophobicContact CD1-CG 3.6Å; I47-P141 HydrophobicContact CG1-CG 3.91Å; I47-E142 HydrophobicContact CD1-CG 4.23Å
48	V	95.4	Very high	94.3	Very high	11 Å²	11	58.6 Å²	58.6	7%	0.067	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139.9	-177.3	-177.2	0	0	0	0	107.9	L46 D52 I54 A87 V109 F110 V111 R112	L46-V48 HydrophobicContact CD2-CG2 3.87Å; L46-V48 HydrophobicContact CG-CG2 3.81Å; V48-D52 HydrophobicContact CG1-CB 3.65Å; V48-I54 HydrophobicContact CB-CG1 4.43Å; V48-I54 HydrophobicContact CG1-CG1 4.09Å; V48-I54 HydrophobicContact CG2-CG1 4.23Å; V48-A87 HydrophobicContact CG1-CB 4.11Å; V48-V109 HydrophobicContact CG2-CG1 3.89Å; V48-F110 PolarHBondContact N-O 3.32Å; V48-V111 CarbonylContact O-C 3.6Å; V48-V111 VanDerWaalsContact O-CA 3.26Å; V48-V111 WeakPolarHBondContact O-CA 3.49Å; V48-R112 WeakPolarHBondContact O-CG 3.49Å; V48-R112 PolarHBondContact O-N 3.43Å
49	S	95.5	Very high	94.3	Very high	30 Å²	30	59.7 Å²	59.7	21%	0.21	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	148.7	175.9	-28.5	0	0	0	0	109.9	G51 D52 R112	S49-G51 PolarHBondContact O-N 3.16Å; S49-D52 WeakPolarHBondContact CA-OD2 3.41Å; S49-D52 WeakPolarHBondContact CB-OD2 3.21Å; S49-D52 PolarHBondContact N-OD2 2.68Å; S49-D52 VanDerWaalsContact O-CB 3.3Å; S49-D52 WeakPolarHBondContact O-CB 3.19Å; S49-D52 PolarHBondContact O-N 3.38Å; S49-D52 PolarHBondContact OG-OD2 2Å; S49-R112 PolarHBondContact OG-NE 3.3Å; S49-R112 PolarHBondContact OG-NH2 2.85Å
50	V	95.3	Very high	94.1	Very high	63 Å²	63	60 Å²	60	38%	0.382	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	132.6	172	66.6	0	0	0	0	110.8	A87 R112 D113	V50-A87 WeakPolarHBondContact CG2-O 3.36Å; V50-R112 PolarHBondContact N-O 2.87Å; V50-D113 HydrophobicContact CB-CB 4.21Å; V50-D113 HydrophobicContact CG1-CB 4.47Å
51	G	93.2	Very high	93.8	Very high	43 Å²	43	62.3 Å²	62.3	44%	0.443	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.4	-15.4	-175.9	0	0	0	0	0	115.7	S49 A87	S49-G51 PolarHBondContact O-N 3.16Å; G51-A87 PolarHBondContact N-O 2.86Å
52	D	95.7	Very high	93.6	Very high	81 Å²	81	60.8 Å²	60.8	43%	0.433	35%	0.35	S	S	.	.	S	Bend	trans	-76.5	165.1	175.1	-63.7	-25.4	0	0	0	111.3	V48 S49 A87	V48-D52 HydrophobicContact CG1-CB 3.65Å; S49-D52 WeakPolarHBondContact CA-OD2 3.41Å; S49-D52 WeakPolarHBondContact CB-OD2 3.21Å; S49-D52 PolarHBondContact N-OD2 2.68Å; S49-D52 VanDerWaalsContact O-CB 3.3Å; S49-D52 WeakPolarHBondContact O-CB 3.19Å; S49-D52 PolarHBondContact O-N 3.38Å; S49-D52 PolarHBondContact OG-OD2 2Å; D52-A87 WeakPolarHBondContact O-CB 3.27Å; D52-A87 PolarHBondContact O-N 2.92Å
53	E	95.8	Very high	93.7	Very high	99 Å²	99	57.9 Å²	57.9	46%	0.463	32%	0.321	S	S	.	.			trans	-80.3	135.6	176.9	-173.9	-175.3	148.8	0	0	111.7	R55 I83 T84	E53-R55 HydrophobicContact CG-CB 4.48Å; E53-R55 VanDerWaalsContact OE1-CD 3.3Å; E53-R55 WeakPolarHBondContact OE1-CD 3.38Å; E53-R55 IonicContact OE1-NE 3.65Å; E53-I83 HydrophobicContact CG-CG2 4.22Å; E53-T84 WeakPolarHBondContact CA-O 3.08Å
54	I	95.7	Very high	93.8	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	115.7	163.6	-57.7	164.5	0	0	0	107.9	V48 L56 I83 T84 A87 N91 V109 V111	V48-I54 HydrophobicContact CB-CG1 4.43Å; V48-I54 HydrophobicContact CG1-CG1 4.09Å; V48-I54 HydrophobicContact CG2-CG1 4.23Å; I54-L56 HydrophobicContact CG2-CD1 4.36Å; I54-L56 HydrophobicContact CG2-CD2 4.43Å; I54-L56 HydrophobicContact CG2-CG 4.04Å; I54-I83 CarbonylContact O-C 3.56Å; I54-I83 WeakPolarHBondContact O-CA 3.15Å; I54-T84 PolarHBondContact N-O 3.47Å; I54-T84 PolarHBondContact O-N 3.11Å; I54-A87 HydrophobicContact CD1-CB 3.74Å; I54-A87 HydrophobicContact CG1-CB 3.84Å; I54-N91 HydrophobicContact CD1-CB 3.83Å; I54-V109 HydrophobicContact CD1-CG1 4.14Å; I54-V109 HydrophobicContact CG1-CG1 4.3Å; I54-V109 HydrophobicContact CG2-CG1 4.44Å; I54-V109 HydrophobicContact CG2-CG2 4.46Å; I54-V111 HydrophobicContact CD1-CG2 3.82Å
55	R	95.7	Very high	94	Very high	140 Å²	140	53.2 Å²	53.2	53%	0.528	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	108.7	177.8	-161.3	175.3	-149.7	-118.5	-11.2	110.3	E53 E81 W82 I83	E53-R55 HydrophobicContact CG-CB 4.48Å; E53-R55 VanDerWaalsContact OE1-CD 3.3Å; E53-R55 WeakPolarHBondContact OE1-CD 3.38Å; E53-R55 IonicContact OE1-NE 3.65Å; R55-E81 IonicContact CZ-OE1 3.1Å; R55-E81 IonicContact NE-OE1 3.01Å; R55-E81 PolarHBondContact NE-OE1 3.42Å; R55-E81 IonicContact NH1-OE1 3.61Å; R55-E81 PolarHBondContact NH1-OE1 3.36Å; R55-E81 VanDerWaalsContact NH2-CD 3.34Å; R55-E81 IonicContact NH2-OE1 3.21Å; R55-E81 PolarHBondContact NH2-OE1 3.09Å; R55-E81 IonicContact NH2-OE2 3.33Å; R55-E81 PolarHBondContact NH2-OE2 3.49Å; R55-W82 WeakPolarHBondContact CA-O 3.31Å; R55-I83 HydrophobicContact CG-CG1 4.43Å
56	L	95.9	Very high	94.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	133.5	177.4	-50.6	174.9	0	0	0	109.5	H40 L46 I54 W66 E81 W82 Y95 I107 V109	H40-L56 WeakPolarHBondContact O-CA 3.47Å; L46-L56 HydrophobicContact CD2-CD2 4.04Å; I54-L56 HydrophobicContact CG2-CD1 4.36Å; I54-L56 HydrophobicContact CG2-CD2 4.43Å; I54-L56 HydrophobicContact CG2-CG 4.04Å; L56-W66 HydrophobicContact CB-CH2 4.1Å; L56-W66 HydrophobicContact CB-CZ2 3.96Å; L56-W66 HydrophobicContact CD1-CH2 4.45Å; L56-E81 CarbonylContact O-C 3.34Å; L56-E81 WeakPolarHBondContact O-CA 3.36Å; L56-W82 HydrophobicContact CB-CB 4.18Å; L56-W82 PolarHBondContact N-O 3.37Å; L56-W82 PolarHBondContact O-N 2.82Å; L56-Y95 HydrophobicContact CD1-CD1 3.69Å; L56-Y95 HydrophobicContact CD1-CD2 4.12Å; L56-Y95 HydrophobicContact CD1-CE1 4.41Å; L56-Y95 HydrophobicContact CD1-CG 3.5Å; L56-I107 HydrophobicContact CD1-CG2 3.8Å; L56-I107 HydrophobicContact CD2-CD1 4.31Å; L56-I107 HydrophobicContact CD2-CG2 4.09Å; L56-V109 HydrophobicContact CD1-CG2 4.2Å; L56-V109 HydrophobicContact CD2-CG2 4.47Å
57	L	96.1	Very high	94.1	Very high	68 Å²	68	49 Å²	49	36%	0.356	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128	177	177.7	67.5	0	0	0	109.8	I39 H40 E81	I39-L57 CarbonylContact C-O 3.33Å; I39-L57 WeakPolarHBondContact CA-O 3.44Å; H40-L57 HydrophobicContact CB-CB 4.35Å; H40-L57 PolarHBondContact N-O 2.71Å; H40-L57 PolarHBondContact O-N 3.33Å; L57-E81 HydrophobicContact CD1-CB 4.25Å
58	C	94.5	Very high	94	Very high	4 Å²	4	46.6 Å²	46.6	3%	0.027	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	125	169	-169	0	0	0	0	111	S38 F63 W66 P80 C97	S38-C58 WeakPolarHBondContact O-CA 3.4Å; C58-F63 HydrophobicContact CB-CD2 3.79Å; C58-F63 HydrophobicContact CB-CE2 3.83Å; C58-W66 HydrophobicContact CB-CH2 4.44Å; C58-W66 HydrophobicContact CB-CZ2 3.56Å; C58-P80 PolarHBondContact N-O 2.93Å; C58-C97 HydrophobicContact CB-CB 3.66Å; C58-C97 WeakPolarHBondContact CB-SG 3.23Å; C58-C97 WeakPolarHBondContact SG-CB 3.43Å; C58-C97 CovalentContact SG-SG 2Å; C58-C97 PolarHBondContact SG-SG 2.91Å
59	T	93.2	Very high	93.9	Very high	77 Å²	77	51 Å²	51	47%	0.472	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	101.7	178.6	-54.1	0	0	0	0	109	S38	S38-T59 PolarHBondContact N-O 3.19Å; S38-T59 VanDerWaalsContact N-O 3.09Å; S38-T59 PolarHBondContact O-N 3.38Å
60	D	90.7	Very high	93.6	Very high	24 Å²	24	50.1 Å²	50.1	13%	0.128	28%	0.275	C	S	.	.			trans	-153.4	132.7	173	-172.6	-77.1	0	0	0	109.2	P37 G62 F63 N99	P37-D60 WeakPolarHBondContact CA-OD2 3.43Å; P37-D60 HydrophobicContact CB-CB 3.69Å; D60-G62 PolarHBondContact O-N 3.41Å; D60-G62 VanDerWaalsContact OD1-C 3.23Å; D60-G62 WeakPolarHBondContact OD1-CA 3.39Å; D60-G62 PolarHBondContact OD1-N 2.82Å; D60-F63 PolarHBondContact O-N 2.73Å; D60-F63 PolarHBondContact OD1-N 2.98Å; D60-N99 HydrophobicContact CB-CB 4.35Å; D60-N99 VanDerWaalsContact CG-CB 3.49Å; D60-N99 VanDerWaalsContact OD1-CB 3.25Å; D60-N99 WeakPolarHBondContact OD1-CB 3.17Å; D60-N99 PolarHBondContact OD2-ND2 2.82Å
61	P	86.9	Confident	93.2	Very high	140 Å²	140	49.4 Å²	49.4	91%	0.909	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-27.1	179	-22.3	32.5	0	0	0	113.6
62	G	88.8	Confident	92.4	Very high	13 Å²	13	50.7 Å²	50.7	13%	0.134	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	27.7	175.8	0	0	0	0	0	113.2	D60 V64 N99 K100	D60-G62 PolarHBondContact O-N 3.41Å; D60-G62 VanDerWaalsContact OD1-C 3.23Å; D60-G62 WeakPolarHBondContact OD1-CA 3.39Å; D60-G62 PolarHBondContact OD1-N 2.82Å; G62-V64 PolarHBondContact O-N 2.82Å; G62-N99 CarbonylContact O-C 3.58Å; G62-N99 WeakPolarHBondContact O-CA 3.2Å; G62-N99 WeakPolarHBondContact O-CB 3.24Å; G62-K100 WeakPolarHBondContact O-CG 3.09Å; G62-K100 PolarHBondContact O-N 2.83Å
63	F	92.8	Very high	91.8	Very high	31 Å²	31	52.8 Å²	52.8	14%	0.136	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-48.8	135.9	174.9	174.5	-95.4	0	0	0	112.3	C58 D60 K65 W66 T78 N79 P80 C97	C58-F63 HydrophobicContact CB-CD2 3.79Å; C58-F63 HydrophobicContact CB-CE2 3.83Å; D60-F63 PolarHBondContact O-N 2.73Å; D60-F63 PolarHBondContact OD1-N 2.98Å; F63-K65 VanDerWaalsContact CZ-C 3.47Å; F63-K65 VanDerWaalsContact CZ-CA 3.48Å; F63-W66 AromaticContact CE2-CD1 3.86Å; F63-W66 HydrophobicContact CE2-CG 4.4Å; F63-W66 AromaticContact CZ-CD1 3.8Å; F63-W66 HydrophobicContact CZ-CG 4.47Å; F63-T78 WeakPolarHBondContact CE1-O 3.2Å; F63-N79 WeakPolarHBondContact CZ-O 3.42Å; F63-P80 HydrophobicContact CD1-CB 4.32Å; F63-P80 HydrophobicContact CD1-CG 3.79Å; F63-P80 HydrophobicContact CE1-CB 4.4Å; F63-P80 HydrophobicContact CE1-CG 4Å; F63-P80 HydrophobicContact CG-CB 4.47Å; F63-P80 HydrophobicContact CG-CG 4.31Å; F63-C97 WeakPolarHBondContact CD2-SG 3.47Å; F63-C97 VanDerWaalsContact CE2-SG 3.54Å
64	V	92.2	Very high	91.4	Very high	63 Å²	63	52.7 Å²	52.7	38%	0.382	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	-58.1	176.6	177	0	0	0	0	110.5	G62 T98 N99 K100	G62-V64 PolarHBondContact O-N 2.82Å; V64-T98 WeakPolarHBondContact CB-O 3.29Å; V64-T98 PolarHBondContact N-O 3.45Å; V64-N99 VanDerWaalsContact CG2-C 3.45Å; V64-K100 HydrophobicContact CG2-CB 4.21Å; V64-K100 HydrophobicContact CG2-CG 3.6Å
65	K	94.7	Very high	91.1	Very high	60 Å²	60	55.4 Å²	55.4	26%	0.261	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	157.3	-174.4	64.4	-178.8	-180	177.5	0	112.9	F63 E76 K77 T98	F63-K65 VanDerWaalsContact CZ-C 3.47Å; F63-K65 VanDerWaalsContact CZ-CA 3.48Å; K65-E76 WeakPolarHBondContact CD-OE2 3.12Å; K65-E76 IonicContact NZ-OE1 3.57Å; K65-E76 PolarHBondContact NZ-OE1 2.82Å; K65-E76 IonicContact NZ-OE2 2.84Å; K65-E76 PolarHBondContact NZ-OE2 2.82Å; K65-E76 VanDerWaalsContact NZ-OE2 3.13Å; K65-K77 CarbonylContact C-O 3.58Å; K65-K77 WeakPolarHBondContact CA-O 3.39Å; K65-T98 PolarHBondContact N-O 3.48Å; K65-T98 PolarHBondContact O-N 3.37Å
66	W	96.3	Very high	91	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	143.7	155.1	-80.1	106.9	0	0	0	110.7	I39 L56 C58 F63 E76 K77 P80 W82 T96 C97	I39-W66 HydrophobicContact CB-CH2 4.27Å; I39-W66 HydrophobicContact CD1-CH2 3.52Å; I39-W66 HydrophobicContact CD1-CZ3 3.74Å; I39-W66 HydrophobicContact CG1-CH2 3.58Å; I39-W66 HydrophobicContact CG1-CZ2 4.3Å; I39-W66 HydrophobicContact CG1-CZ3 4.29Å; I39-W66 HydrophobicContact CG2-CH2 3.75Å; I39-W66 HydrophobicContact CG2-CZ2 4.46Å; L56-W66 HydrophobicContact CB-CH2 4.1Å; L56-W66 HydrophobicContact CB-CZ2 3.96Å; L56-W66 HydrophobicContact CD1-CH2 4.45Å; C58-W66 HydrophobicContact CB-CH2 4.44Å; C58-W66 HydrophobicContact CB-CZ2 3.56Å; F63-W66 AromaticContact CE2-CD1 3.86Å; F63-W66 HydrophobicContact CE2-CG 4.4Å; F63-W66 AromaticContact CZ-CD1 3.8Å; F63-W66 HydrophobicContact CZ-CG 4.47Å; W66-E76 CarbonylContact O-C 3.49Å; W66-E76 VanDerWaalsContact O-CA 3.25Å; W66-E76 WeakPolarHBondContact O-CA 3.43Å; W66-K77 HydrophobicContact CB-CB 4.42Å; W66-K77 PolarHBondContact N-O 2.85Å; W66-K77 PolarHBondContact O-N 3.43Å; W66-P80 PolarHBondContact NE1-O 3.04Å; W66-W82 HydrophobicContact CB-CE3 3.61Å; W66-W82 HydrophobicContact CB-CZ3 4.03Å; W66-W82 HydrophobicContact CG-CB 4.45Å; W66-W82 HydrophobicContact CG-CE3 4.11Å; W66-T96 CarbonylContact C-O 3.59Å; W66-T96 WeakPolarHBondContact CA-O 3.24Å; W66-C97 HydrophobicContact CD2-CB 4.14Å; W66-C97 HydrophobicContact CE3-CB 3.93Å; W66-C97 HydrophobicContact CH2-CB 3.9Å; W66-C97 HydrophobicContact CZ2-CB 4.1Å; W66-C97 HydrophobicContact CZ3-CB 3.79Å
67	T	95.2	Very high	90.7	Very high	20 Å²	20	57.2 Å²	57.2	12%	0.123	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	119.2	171.7	-59.8	0	0	0	0	108.5	L74 S75 T96	T67-L74 HydrophobicContact CG2-CD1 3.44Å; T67-L74 VanDerWaalsContact CG2-CD1 3.44Å; T67-L74 HydrophobicContact CG2-CG 4.12Å; T67-S75 CarbonylContact C-O 3.45Å; T67-S75 WeakPolarHBondContact CA-O 3.22Å; T67-T96 PolarHBondContact N-O 2.92Å; T67-T96 PolarHBondContact O-N 3.5Å
68	F	95	Very high	90.5	Very high	10 Å²	10	59.8 Å²	59.8	4%	0.044	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	131.7	171.3	167	-110.8	0	0	0	109.3	I70 L74 S75 W82 N94 Y95	F68-I70 HydrophobicContact CE1-CG2 3.68Å; F68-I70 HydrophobicContact CE2-CB 4.48Å; F68-I70 HydrophobicContact CE2-CG2 4.33Å; F68-I70 HydrophobicContact CZ-CB 3.99Å; F68-I70 HydrophobicContact CZ-CG2 3.41Å; F68-I70 VanDerWaalsContact CZ-CG2 3.41Å; F68-L74 CarbonylContact O-C 3.32Å; F68-L74 WeakPolarHBondContact O-CA 3.4Å; F68-S75 PolarHBondContact N-O 2.76Å; F68-S75 PolarHBondContact O-N 3.2Å; F68-W82 HydrophobicContact CB-CH2 3.61Å; F68-W82 HydrophobicContact CB-CZ2 4.11Å; F68-W82 HydrophobicContact CB-CZ3 4.14Å; F68-W82 HydrophobicContact CG-CH2 4.44Å; F68-N94 WeakPolarHBondContact CA-O 3.35Å; F68-Y95 HydrophobicContact CB-CD1 4.12Å; F68-Y95 HydrophobicContact CB-CE1 4Å; F68-Y95 HydrophobicContact CD2-CD1 4.03Å; F68-Y95 AromaticContact CD2-CD2 3.98Å; F68-Y95 HydrophobicContact CD2-CD2 3.98Å; F68-Y95 AromaticContact CD2-CE1 3.55Å; F68-Y95 HydrophobicContact CD2-CE1 3.55Å; F68-Y95 AromaticContact CD2-CE2 3.51Å; F68-Y95 HydrophobicContact CD2-CE2 3.51Å; F68-Y95 HydrophobicContact CD2-CG 4.23Å; F68-Y95 AromaticContact CD2-CZ 3.29Å; F68-Y95 HydrophobicContact CE2-CD2 4.46Å; F68-Y95 HydrophobicContact CE2-CE1 4.31Å; F68-Y95 AromaticContact CE2-CE2 3.67Å; F68-Y95 HydrophobicContact CE2-CE2 3.67Å; F68-Y95 AromaticContact CE2-CZ 3.61Å; F68-Y95 HydrophobicContact CG-CD1 4.48Å; F68-Y95 AromaticContact CG-CE1 4Å; F68-Y95 HydrophobicContact CG-CE1 4Å
69	E	92.5	Very high	90.4	Very high	105 Å²	105	64 Å²	64	49%	0.491	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	128.6	178.6	-171.1	-177.3	179.1	0	0	111.9	Q73 L74 N94	E69-Q73 WeakPolarHBondContact CA-O 3.41Å; E69-L74 HydrophobicContact CB-CD1 4.29Å; E69-L74 HydrophobicContact CG-CD1 4.43Å; E69-N94 PolarHBondContact N-O 2.99Å; E69-N94 PolarHBondContact O-N 2.93Å
70	I	90.2	Very high	90.3	Very high	11 Å²	11	62.9 Å²	62.9	6%	0.056	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	131.9	166.5	-174.6	60.3	0	0	0	110.2	F68 G72 Q73 T92 L119 P137	F68-I70 HydrophobicContact CE1-CG2 3.68Å; F68-I70 HydrophobicContact CE2-CB 4.48Å; F68-I70 HydrophobicContact CE2-CG2 4.33Å; F68-I70 HydrophobicContact CZ-CB 3.99Å; F68-I70 HydrophobicContact CZ-CG2 3.41Å; F68-I70 VanDerWaalsContact CZ-CG2 3.41Å; I70-G72 PolarHBondContact O-N 2.87Å; I70-Q73 HydrophobicContact CG2-CB 4.39Å; I70-Q73 PolarHBondContact N-O 3.33Å; I70-Q73 VanDerWaalsContact N-O 3.12Å; I70-Q73 WeakPolarHBondContact O-CA 3.26Å; I70-Q73 WeakPolarHBondContact O-CB 3.11Å; I70-Q73 PolarHBondContact O-N 3.17Å; I70-T92 VanDerWaalsContact CB-O 3.31Å; I70-T92 WeakPolarHBondContact CB-O 2.94Å; I70-T92 WeakPolarHBondContact CD1-O 3.42Å; I70-T92 WeakPolarHBondContact CG1-O 3.31Å; I70-L119 HydrophobicContact CD1-CD1 4.16Å; I70-L119 HydrophobicContact CG1-CD1 3.81Å; I70-P137 HydrophobicContact CD1-CG 4.01Å
71	L	85.2	Confident	90.5	Very high	48 Å²	48	64 Å²	64	25%	0.251	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	36.5	173	-64.8	176.9	0	0	0	114.5	Q73 L119 D121 R135 P137	L71-Q73 VanDerWaalsContact C-N 3.28Å; L71-Q73 PolarHBondContact O-N 2.74Å; L71-L119 HydrophobicContact CD1-CB 3.64Å; L71-D121 HydrophobicContact CB-CB 4.34Å; L71-D121 HydrophobicContact CD1-CB 4.39Å; L71-D121 HydrophobicContact CD2-CB 3.93Å; L71-D121 HydrophobicContact CG-CB 4.46Å; L71-R135 HydrophobicContact CD2-CB 3.74Å; L71-R135 HydrophobicContact CD2-CG 4.41Å; L71-P137 HydrophobicContact CD1-CG 4.45Å; L71-P137 HydrophobicContact CD2-CG 3.96Å; L71-P137 HydrophobicContact CG-CG 4.21Å
72	G	77.4	Confident	90.9	Very high	70 Å²	70	58 Å²	58	72%	0.722	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	-4.4	-177.7	0	0	0	0	0	115.7	I70	I70-G72 PolarHBondContact O-N 2.87Å
73	Q	82.8	Confident	91.2	Very high	124 Å²	124	60.1 Å²	60.1	58%	0.579	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	122.1	166.9	-64.3	-175.5	-5.7	0	0	109.2	E69 I70 L71	E69-Q73 WeakPolarHBondContact CA-O 3.41Å; I70-Q73 HydrophobicContact CG2-CB 4.39Å; I70-Q73 PolarHBondContact N-O 3.33Å; I70-Q73 VanDerWaalsContact N-O 3.12Å; I70-Q73 WeakPolarHBondContact O-CA 3.26Å; I70-Q73 WeakPolarHBondContact O-CB 3.11Å; I70-Q73 PolarHBondContact O-N 3.17Å; L71-Q73 VanDerWaalsContact C-N 3.28Å; L71-Q73 PolarHBondContact O-N 2.74Å
74	L	88	Confident	91.3	Very high	98 Å²	98	59.8 Å²	59.8	51%	0.513	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	131.2	177.4	-164.1	80.1	0	0	0	108.8	T67 F68 E69	T67-L74 HydrophobicContact CG2-CD1 3.44Å; T67-L74 VanDerWaalsContact CG2-CD1 3.44Å; T67-L74 HydrophobicContact CG2-CG 4.12Å; F68-L74 CarbonylContact O-C 3.32Å; F68-L74 WeakPolarHBondContact O-CA 3.4Å; E69-L74 HydrophobicContact CB-CD1 4.29Å; E69-L74 HydrophobicContact CG-CD1 4.43Å
75	S	89.9	Confident	91.3	Very high	58 Å²	58	64.6 Å²	64.6	41%	0.406	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	136	170.7	-66.6	0	0	0	0	110.1	T67 F68	T67-S75 CarbonylContact C-O 3.45Å; T67-S75 WeakPolarHBondContact CA-O 3.22Å; F68-S75 PolarHBondContact N-O 2.76Å; F68-S75 PolarHBondContact O-N 3.2Å
76	E	92.6	Very high	91.3	Very high	102 Å²	102	69.4 Å²	69.4	48%	0.477	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	142.4	179.4	-57.9	-165.8	161.5	0	0	110.5	K65 W66	K65-E76 WeakPolarHBondContact CD-OE2 3.12Å; K65-E76 IonicContact NZ-OE1 3.57Å; K65-E76 PolarHBondContact NZ-OE1 2.82Å; K65-E76 IonicContact NZ-OE2 2.84Å; K65-E76 PolarHBondContact NZ-OE2 2.82Å; K65-E76 VanDerWaalsContact NZ-OE2 3.13Å; W66-E76 CarbonylContact O-C 3.49Å; W66-E76 VanDerWaalsContact O-CA 3.25Å; W66-E76 WeakPolarHBondContact O-CA 3.43Å
77	K	90.3	Very high	91.2	Very high	76 Å²	76	69.5 Å²	69.5	33%	0.33	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	136.9	170.5	-73.5	-170.3	-172.6	174.9	0	109.8	K65 W66 W82 I83	K65-K77 CarbonylContact C-O 3.58Å; K65-K77 WeakPolarHBondContact CA-O 3.39Å; W66-K77 HydrophobicContact CB-CB 4.42Å; W66-K77 PolarHBondContact N-O 2.85Å; W66-K77 PolarHBondContact O-N 3.43Å; K77-W82 HydrophobicContact CB-CE3 3.82Å; K77-W82 HydrophobicContact CB-CZ3 3.74Å; K77-W82 HydrophobicContact CD-CD2 3.83Å; K77-W82 HydrophobicContact CD-CE3 3.55Å; K77-W82 HydrophobicContact CD-CH2 4.01Å; K77-W82 HydrophobicContact CD-CZ2 4.23Å; K77-W82 HydrophobicContact CD-CZ3 3.66Å; K77-W82 HydrophobicContact CG-CE3 3.79Å; K77-W82 HydrophobicContact CG-CH2 3.97Å; K77-W82 HydrophobicContact CG-CZ3 3.47Å; K77-W82 VanDerWaalsContact CG-CZ3 3.47Å; K77-I83 PolarHBondContact NZ-O 3.46Å; K77-I83 VanDerWaalsContact NZ-O 3.1Å
78	T	90.8	Very high	91.3	Very high	122 Å²	122	74.1 Å²	74.1	75%	0.748	39%	0.391	S	S	*	.			trans	-96	6.8	178.4	52.5	0	0	0	0	113.2	F63	F63-T78 WeakPolarHBondContact CE1-O 3.2Å
79	N	92	Very high	91.2	Very high	92 Å²	92	73.7 Å²	73.7	49%	0.492	39%	0.389	S	S	.	.	S	Bend	trans	-87.9	130.2	172.7	-170.8	-6.3	0	0	0	109.1	F63 E81	F63-N79 WeakPolarHBondContact CZ-O 3.42Å; N79-E81 PolarHBondContact ND2-O 3.05Å; N79-E81 PolarHBondContact O-N 2.79Å; N79-E81 VanDerWaalsContact O-N 3.12Å; N79-E81 PolarHBondContact OD1-N 3.35Å
80	P	92.8	Very high	91.2	Very high	54 Å²	54	71.3 Å²	71.3	35%	0.351	38%	0.382	S	S	.	.	S	Bend	trans	-55	-26.6	174.2	-26.5	33.3	0	0	0	113.8	C58 F63 W66	C58-P80 PolarHBondContact N-O 2.93Å; F63-P80 HydrophobicContact CD1-CB 4.32Å; F63-P80 HydrophobicContact CD1-CG 3.79Å; F63-P80 HydrophobicContact CE1-CB 4.4Å; F63-P80 HydrophobicContact CE1-CG 4Å; F63-P80 HydrophobicContact CG-CB 4.47Å; F63-P80 HydrophobicContact CG-CG 4.31Å; W66-P80 PolarHBondContact NE1-O 3.04Å
81	E	95	Very high	91.4	Very high	48 Å²	48	72.3 Å²	72.3	22%	0.224	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	121.2	174.9	-164.4	171	-134.4	0	0	111.2	R55 L56 L57 N79 I83	R55-E81 IonicContact CZ-OE1 3.1Å; R55-E81 IonicContact NE-OE1 3.01Å; R55-E81 PolarHBondContact NE-OE1 3.42Å; R55-E81 IonicContact NH1-OE1 3.61Å; R55-E81 PolarHBondContact NH1-OE1 3.36Å; R55-E81 VanDerWaalsContact NH2-CD 3.34Å; R55-E81 IonicContact NH2-OE1 3.21Å; R55-E81 PolarHBondContact NH2-OE1 3.09Å; R55-E81 IonicContact NH2-OE2 3.33Å; R55-E81 PolarHBondContact NH2-OE2 3.49Å; L56-E81 CarbonylContact O-C 3.34Å; L56-E81 WeakPolarHBondContact O-CA 3.36Å; L57-E81 HydrophobicContact CD1-CB 4.25Å; N79-E81 PolarHBondContact ND2-O 3.05Å; N79-E81 PolarHBondContact O-N 2.79Å; N79-E81 VanDerWaalsContact O-N 3.12Å; N79-E81 PolarHBondContact OD1-N 3.35Å; E81-I83 HydrophobicContact CG-CD1 4.12Å; E81-I83 HydrophobicContact CG-CG1 3.81Å
82	W	95.1	Very high	91.9	Very high	12 Å²	12	70 Å²	70	5%	0.045	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	115	168.6	-173.3	-70	0	0	0	109.6	R55 L56 W66 F68 K77 T84 Y95	R55-W82 WeakPolarHBondContact CA-O 3.31Å; L56-W82 HydrophobicContact CB-CB 4.18Å; L56-W82 PolarHBondContact N-O 3.37Å; L56-W82 PolarHBondContact O-N 2.82Å; W66-W82 HydrophobicContact CB-CE3 3.61Å; W66-W82 HydrophobicContact CB-CZ3 4.03Å; W66-W82 HydrophobicContact CG-CB 4.45Å; W66-W82 HydrophobicContact CG-CE3 4.11Å; F68-W82 HydrophobicContact CB-CH2 3.61Å; F68-W82 HydrophobicContact CB-CZ2 4.11Å; F68-W82 HydrophobicContact CB-CZ3 4.14Å; F68-W82 HydrophobicContact CG-CH2 4.44Å; K77-W82 HydrophobicContact CB-CE3 3.82Å; K77-W82 HydrophobicContact CB-CZ3 3.74Å; K77-W82 HydrophobicContact CD-CD2 3.83Å; K77-W82 HydrophobicContact CD-CE3 3.55Å; K77-W82 HydrophobicContact CD-CH2 4.01Å; K77-W82 HydrophobicContact CD-CZ2 4.23Å; K77-W82 HydrophobicContact CD-CZ3 3.66Å; K77-W82 HydrophobicContact CG-CE3 3.79Å; K77-W82 HydrophobicContact CG-CH2 3.97Å; K77-W82 HydrophobicContact CG-CZ3 3.47Å; K77-W82 VanDerWaalsContact CG-CZ3 3.47Å; W82-T84 PolarHBondContact NE1-OG1 3.48Å; W82-T84 VanDerWaalsContact NE1-OG1 3.12Å; W82-Y95 AromaticContact CD1-CE1 3.93Å; W82-Y95 HydrophobicContact CD2-CD1 4.01Å; W82-Y95 AromaticContact CD2-CE1 3.88Å; W82-Y95 HydrophobicContact CD2-CE1 3.88Å; W82-Y95 AromaticContact CE2-CE1 3.45Å; W82-Y95 VanDerWaalsContact CE2-CE1 3.45Å; W82-Y95 HydrophobicContact CE3-CD1 4.39Å; W82-Y95 HydrophobicContact CG-CD1 4.28Å; W82-Y95 HydrophobicContact CG-CE1 4.21Å; W82-Y95 HydrophobicContact CH2-CE1 4.41Å; W82-Y95 HydrophobicContact CZ2-CD1 4.48Å; W82-Y95 AromaticContact CZ2-CE1 3.77Å; W82-Y95 HydrophobicContact CZ2-CE1 3.77Å; W82-Y95 AromaticContact NE1-CE1 3.51Å
83	I	94	Very high	92.8	Very high	59 Å²	59	66.7 Å²	66.7	30%	0.303	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133	174	-50.9	-177.6	0	0	0	109.6	E53 I54 R55 K77 E81 E85	E53-I83 HydrophobicContact CG-CG2 4.22Å; I54-I83 CarbonylContact O-C 3.56Å; I54-I83 WeakPolarHBondContact O-CA 3.15Å; R55-I83 HydrophobicContact CG-CG1 4.43Å; K77-I83 PolarHBondContact NZ-O 3.46Å; K77-I83 VanDerWaalsContact NZ-O 3.1Å; E81-I83 HydrophobicContact CG-CD1 4.12Å; E81-I83 HydrophobicContact CG-CG1 3.81Å; I83-E85 HydrophobicContact CG2-CG 4.47Å
84	T	94.2	Very high	93.4	Very high	24 Å²	24	62.9 Å²	62.9	15%	0.147	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	107	162.7	-56.4	0	0	0	0	107.3	E53 I54 W82 K86	E53-T84 WeakPolarHBondContact CA-O 3.08Å; I54-T84 PolarHBondContact N-O 3.47Å; I54-T84 PolarHBondContact O-N 3.11Å; W82-T84 PolarHBondContact NE1-OG1 3.48Å; W82-T84 VanDerWaalsContact NE1-OG1 3.12Å; T84-K86 VanDerWaalsContact C-N 3.34Å; T84-K86 PolarHBondContact O-N 3Å
85	E	92.5	Very high	93.8	Very high	164 Å²	164	58.2 Å²	58.2	77%	0.766	30%	0.3	S	S	*	.	S	Bend	trans	-63	-37	-173	-65.2	-177.2	173.4	0	0	113.6	I83	I83-E85 HydrophobicContact CG2-CG 4.47Å
86	K	95	Very high	94	Very high	161 Å²	161	56.6 Å²	56.6	70%	0.7	29%	0.288	S	S	*	.	S	Bend	trans	-130.7	103.9	176.6	-69.4	-175.9	178.9	-179.5	0	109	T84	T84-K86 VanDerWaalsContact C-N 3.34Å; T84-K86 PolarHBondContact O-N 3Å
87	A	95.3	Very high	94.2	Very high	2 Å²	2	51.8 Å²	51.8	2%	0.017	27%	0.265	C	S	.	.			trans	-68	133	179.7	0	0	0	0	0	111.4	V48 V50 G51 D52 I54 V111	V48-A87 HydrophobicContact CG1-CB 4.11Å; V50-A87 WeakPolarHBondContact CG2-O 3.36Å; G51-A87 PolarHBondContact N-O 2.86Å; D52-A87 WeakPolarHBondContact O-CB 3.27Å; D52-A87 PolarHBondContact O-N 2.92Å; I54-A87 HydrophobicContact CD1-CB 3.74Å; I54-A87 HydrophobicContact CG1-CB 3.84Å; A87-V111 HydrophobicContact CB-CG1 3.65Å; A87-V111 HydrophobicContact CB-CG2 4.15Å
88	E	95.6	Very high	94.3	Very high	116 Å²	116	49.5 Å²	49.5	54%	0.542	26%	0.258	S	S	.	.			trans	-108.3	158.6	169.1	-64.7	-175.4	-179.8	0	0	110.2	T90 N91 V111	E88-T90 WeakPolarHBondContact CB-OG1 3.25Å; E88-T90 PolarHBondContact O-N 2.85Å; E88-T90 PolarHBondContact OE2-OG1 2.89Å; E88-N91 PolarHBondContact N-OD1 3.34Å; E88-N91 WeakPolarHBondContact O-CB 3.5Å; E88-N91 PolarHBondContact O-N 2.8Å; E88-V111 WeakPolarHBondContact O-CB 3.44Å; E88-V111 WeakPolarHBondContact O-CG1 3.35Å
89	A	93.6	Very high	94.4	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.008	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-49.1	-36.1	174.7	0	0	0	0	0	113.2	N91 T92 D113 K116 L119 T139	A89-N91 PolarHBondContact O-N 2.85Å; A89-T92 VanDerWaalsContact O-CB 3.23Å; A89-T92 WeakPolarHBondContact O-CB 3.48Å; A89-T92 PolarHBondContact O-N 2.96Å; A89-T92 PolarHBondContact O-OG1 2.85Å; A89-D113 HydrophobicContact CB-CB 3.81Å; A89-K116 HydrophobicContact CB-CB 3.92Å; A89-K116 HydrophobicContact CB-CD 3.94Å; A89-L119 HydrophobicContact CB-CD2 4.3Å; A89-T139 HydrophobicContact CB-CG2 4.1Å
90	T	93.1	Very high	94.2	Very high	55 Å²	55	47.8 Å²	47.8	34%	0.337	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-67	-13.6	177.3	47	0	0	0	0	114	E88 T92	E88-T90 WeakPolarHBondContact CB-OG1 3.25Å; E88-T90 PolarHBondContact O-N 2.85Å; E88-T90 PolarHBondContact OE2-OG1 2.89Å; T90-T92 VanDerWaalsContact C-N 3.27Å
91	N	94.9	Very high	93.9	Very high	33 Å²	33	47.2 Å²	47.2	18%	0.176	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-85.1	0.7	170.5	-54.4	135.7	0	0	0	112.6	I54 E88 A89 G93 Y95 V111	I54-N91 HydrophobicContact CD1-CB 3.83Å; E88-N91 PolarHBondContact N-OD1 3.34Å; E88-N91 WeakPolarHBondContact O-CB 3.5Å; E88-N91 PolarHBondContact O-N 2.8Å; A89-N91 PolarHBondContact O-N 2.85Å; N91-G93 PolarHBondContact O-N 2.91Å; N91-Y95 PolarHBondContact O-OH 2.87Å; N91-V111 HydrophobicContact CB-CG2 4.08Å
92	T	96	Very high	93.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.257	C	S	.	.			trans	-64.1	128.3	166.9	-61.5	0	0	0	0	109.5	I70 A89 T90 Y108 V109 F110 V111	I70-T92 VanDerWaalsContact CB-O 3.31Å; I70-T92 WeakPolarHBondContact CB-O 2.94Å; I70-T92 WeakPolarHBondContact CD1-O 3.42Å; I70-T92 WeakPolarHBondContact CG1-O 3.31Å; A89-T92 VanDerWaalsContact O-CB 3.23Å; A89-T92 WeakPolarHBondContact O-CB 3.48Å; A89-T92 PolarHBondContact O-N 2.96Å; A89-T92 PolarHBondContact O-OG1 2.85Å; T90-T92 VanDerWaalsContact C-N 3.27Å; T92-Y108 HydrophobicContact CG2-CE1 3.9Å; T92-V109 CarbonylContact C-O 3.59Å; T92-V109 WeakPolarHBondContact CA-O 3.43Å; T92-V109 WeakPolarHBondContact CG2-O 3.49Å; T92-F110 HydrophobicContact CG2-CD1 4.04Å; T92-V111 PolarHBondContact OG1-N 2.03Å
93	G	95.6	Very high	93.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.9	-170.5	178.8	0	0	0	0	0	114.1	N91 Y108 V109	N91-G93 PolarHBondContact O-N 2.91Å; G93-Y108 WeakPolarHBondContact O-CA 3.18Å; G93-V109 PolarHBondContact N-O 3.38Å; G93-V109 PolarHBondContact O-N 2.91Å
94	N	95.1	Very high	93.3	Very high	43 Å²	43	49.7 Å²	49.7	23%	0.23	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	125.6	-178.8	-167.9	26.5	0	0	0	110.6	F68 E69 T96 S106 I107 Y108	F68-N94 WeakPolarHBondContact CA-O 3.35Å; E69-N94 PolarHBondContact N-O 2.99Å; E69-N94 PolarHBondContact O-N 2.93Å; N94-T96 PolarHBondContact ND2-OG1 2.88Å; N94-S106 VanDerWaalsContact OD1-CB 3.25Å; N94-S106 WeakPolarHBondContact OD1-CB 3.48Å; N94-S106 PolarHBondContact OD1-OG 3.26Å; N94-I107 PolarHBondContact OD1-O 3.15Å; N94-Y108 HydrophobicContact CB-CD2 4.04Å; N94-Y108 HydrophobicContact CB-CE2 4.39Å
95	Y	96.3	Very high	93.3	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	114.8	175.9	-69	-98.5	0	0	0	108.7	L56 F68 W82 N91 S106 I107 V109	L56-Y95 HydrophobicContact CD1-CD1 3.69Å; L56-Y95 HydrophobicContact CD1-CD2 4.12Å; L56-Y95 HydrophobicContact CD1-CE1 4.41Å; L56-Y95 HydrophobicContact CD1-CG 3.5Å; F68-Y95 HydrophobicContact CB-CD1 4.12Å; F68-Y95 HydrophobicContact CB-CE1 4Å; F68-Y95 HydrophobicContact CD2-CD1 4.03Å; F68-Y95 AromaticContact CD2-CD2 3.98Å; F68-Y95 HydrophobicContact CD2-CD2 3.98Å; F68-Y95 AromaticContact CD2-CE1 3.55Å; F68-Y95 HydrophobicContact CD2-CE1 3.55Å; F68-Y95 AromaticContact CD2-CE2 3.51Å; F68-Y95 HydrophobicContact CD2-CE2 3.51Å; F68-Y95 HydrophobicContact CD2-CG 4.23Å; F68-Y95 AromaticContact CD2-CZ 3.29Å; F68-Y95 HydrophobicContact CE2-CD2 4.46Å; F68-Y95 HydrophobicContact CE2-CE1 4.31Å; F68-Y95 AromaticContact CE2-CE2 3.67Å; F68-Y95 HydrophobicContact CE2-CE2 3.67Å; F68-Y95 AromaticContact CE2-CZ 3.61Å; F68-Y95 HydrophobicContact CG-CD1 4.48Å; F68-Y95 AromaticContact CG-CE1 4Å; F68-Y95 HydrophobicContact CG-CE1 4Å; W82-Y95 AromaticContact CD1-CE1 3.93Å; W82-Y95 HydrophobicContact CD2-CD1 4.01Å; W82-Y95 AromaticContact CD2-CE1 3.88Å; W82-Y95 HydrophobicContact CD2-CE1 3.88Å; W82-Y95 AromaticContact CE2-CE1 3.45Å; W82-Y95 VanDerWaalsContact CE2-CE1 3.45Å; W82-Y95 HydrophobicContact CE3-CD1 4.39Å; W82-Y95 HydrophobicContact CG-CD1 4.28Å; W82-Y95 HydrophobicContact CG-CE1 4.21Å; W82-Y95 HydrophobicContact CH2-CE1 4.41Å; W82-Y95 HydrophobicContact CZ2-CD1 4.48Å; W82-Y95 AromaticContact CZ2-CE1 3.77Å; W82-Y95 HydrophobicContact CZ2-CE1 3.77Å; W82-Y95 AromaticContact NE1-CE1 3.51Å; N91-Y95 PolarHBondContact O-OH 2.87Å; Y95-S106 CarbonylContact O-C 3.59Å; Y95-S106 WeakPolarHBondContact O-CA 3.28Å; Y95-S106 WeakPolarHBondContact O-CB 3.39Å; Y95-I107 PolarHBondContact N-O 3.3Å; Y95-I107 PolarHBondContact O-N 3.37Å; Y95-V109 HydrophobicContact CD2-CB 3.96Å; Y95-V109 HydrophobicContact CD2-CG2 3.49Å; Y95-V109 VanDerWaalsContact CD2-CG2 3.49Å; Y95-V109 HydrophobicContact CE2-CB 3.69Å; Y95-V109 HydrophobicContact CE2-CG2 3.64Å; Y95-V109 HydrophobicContact CG-CG2 4.38Å
96	T	95.5	Very high	93.4	Very high	25 Å²	25	45.2 Å²	45.2	15%	0.153	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.9	-173.5	-55.5	0	0	0	0	110.3	W66 T67 N94 S105 S106	W66-T96 CarbonylContact C-O 3.59Å; W66-T96 WeakPolarHBondContact CA-O 3.24Å; T67-T96 PolarHBondContact N-O 2.92Å; T67-T96 PolarHBondContact O-N 3.5Å; N94-T96 PolarHBondContact ND2-OG1 2.88Å; T96-S105 CarbonylContact C-O 3.45Å; T96-S105 WeakPolarHBondContact CA-O 3.47Å; T96-S106 WeakPolarHBondContact OG1-CB 3.08Å
97	C	94.7	Very high	93.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	132.7	170.9	178.7	0	0	0	0	109.9	P37 I39 C58 F63 W66 S104 S105	P37-C97 HydrophobicContact CG-CB 4.47Å; P37-C97 WeakPolarHBondContact CG-O 3.12Å; I39-C97 HydrophobicContact CD1-CB 4Å; I39-C97 HydrophobicContact CG1-CB 4.04Å; C58-C97 HydrophobicContact CB-CB 3.66Å; C58-C97 WeakPolarHBondContact CB-SG 3.23Å; C58-C97 WeakPolarHBondContact SG-CB 3.43Å; C58-C97 CovalentContact SG-SG 2Å; C58-C97 PolarHBondContact SG-SG 2.91Å; F63-C97 WeakPolarHBondContact CD2-SG 3.47Å; F63-C97 VanDerWaalsContact CE2-SG 3.54Å; W66-C97 HydrophobicContact CD2-CB 4.14Å; W66-C97 HydrophobicContact CE3-CB 3.93Å; W66-C97 HydrophobicContact CH2-CB 3.9Å; W66-C97 HydrophobicContact CZ2-CB 4.1Å; W66-C97 HydrophobicContact CZ3-CB 3.79Å; C97-S104 CarbonylContact O-C 3.55Å; C97-S104 WeakPolarHBondContact O-CA 3.32Å; C97-S104 VanDerWaalsContact O-CB 3.26Å; C97-S104 WeakPolarHBondContact O-CB 3.36Å; C97-S105 PolarHBondContact N-O 2.91Å; C97-S105 PolarHBondContact O-N 2.88Å
98	T	94.2	Very high	93.4	Very high	29 Å²	29	38.4 Å²	38.4	18%	0.178	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	138.5	179.5	-49.5	0	0	0	0	111.2	V64 K65	V64-T98 WeakPolarHBondContact CB-O 3.29Å; V64-T98 PolarHBondContact N-O 3.45Å; K65-T98 PolarHBondContact N-O 3.48Å; K65-T98 PolarHBondContact O-N 3.37Å
99	N	91.8	Very high	93.5	Very high	11 Å²	11	32.9 Å²	32.9	6%	0.059	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	174.5	175.3	74.9	14.8	0	0	0	113.3	S35 D60 G62 V64 G101 G102 L103	S35-N99 PolarHBondContact O-ND2 3.01Å; D60-N99 HydrophobicContact CB-CB 4.35Å; D60-N99 VanDerWaalsContact CG-CB 3.49Å; D60-N99 VanDerWaalsContact OD1-CB 3.25Å; D60-N99 WeakPolarHBondContact OD1-CB 3.17Å; D60-N99 PolarHBondContact OD2-ND2 2.82Å; G62-N99 CarbonylContact O-C 3.58Å; G62-N99 WeakPolarHBondContact O-CA 3.2Å; G62-N99 WeakPolarHBondContact O-CB 3.24Å; V64-N99 VanDerWaalsContact CG2-C 3.45Å; N99-G101 PolarHBondContact O-N 2.95Å; N99-G101 WeakPolarHBondContact OD1-CA 3.45Å; N99-G101 PolarHBondContact OD1-N 2.82Å; N99-G102 PolarHBondContact O-N 3.29Å; N99-G102 PolarHBondContact OD1-N 2.98Å; N99-L103 PolarHBondContact N-O 2.94Å; N99-L103 PolarHBondContact OD1-N 3.21Å; N99-L103 PolarHBondContact OD1-O 3.04Å
100	K	89	Confident	93.7	Very high	167 Å²	167	32.9 Å²	32.9	73%	0.726	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.3	-178.1	-79.1	175.3	-174.9	176.3	0	112.8	G62 V64 G102	G62-K100 WeakPolarHBondContact O-CG 3.09Å; G62-K100 PolarHBondContact O-N 2.83Å; V64-K100 HydrophobicContact CG2-CB 4.21Å; V64-K100 HydrophobicContact CG2-CG 3.6Å; K100-G102 VanDerWaalsContact C-N 3.26Å
101	G	84.6	Confident	93.8	Very high	42 Å²	42	30.3 Å²	30.3	43%	0.433	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-6.6	174	0	0	0	0	0	115	N99 L103	N99-G101 PolarHBondContact O-N 2.95Å; N99-G101 WeakPolarHBondContact OD1-CA 3.45Å; N99-G101 PolarHBondContact OD1-N 2.82Å; G101-L103 PolarHBondContact O-N 3.28Å
102	G	87.5	Confident	93.8	Very high	56 Å²	56	33.6 Å²	33.6	58%	0.577	20%	0.2	S	C	*	.	S	Bend	trans	77	6.2	-171.3	0	0	0	0	0	113.8	N99 K100	N99-G102 PolarHBondContact O-N 3.29Å; N99-G102 PolarHBondContact OD1-N 2.98Å; K100-G102 VanDerWaalsContact C-N 3.26Å
103	L	91.4	Very high	93.7	Very high	56 Å²	56	34.3 Å²	34.3	29%	0.293	20%	0.203	S	C	.	.			trans	-81	140.6	172.9	-63.4	-178.6	0	0	0	109.9	L34 S35 L36 N99 G101	L34-L103 HydrophobicContact CB-CD1 3.57Å; L34-L103 HydrophobicContact CB-CG 4.46Å; L34-L103 WeakPolarHBondContact O-CD1 3.47Å; S35-L103 WeakPolarHBondContact O-CD1 3.28Å; L36-L103 HydrophobicContact CD2-CB 4.13Å; N99-L103 PolarHBondContact N-O 2.94Å; N99-L103 PolarHBondContact OD1-N 3.21Å; N99-L103 PolarHBondContact OD1-O 3.04Å; G101-L103 PolarHBondContact O-N 3.28Å
104	S	93	Very high	93.3	Very high	58 Å²	58	38.3 Å²	38.3	41%	0.406	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	147.3	-177.5	60.1	0	0	0	0	113	L36 C97	L36-S104 WeakPolarHBondContact CD2-O 3.5Å; C97-S104 CarbonylContact O-C 3.55Å; C97-S104 WeakPolarHBondContact O-CA 3.32Å; C97-S104 VanDerWaalsContact O-CB 3.26Å; C97-S104 WeakPolarHBondContact O-CB 3.36Å
105	S	93.7	Very high	93	Very high	31 Å²	31	44.6 Å²	44.6	22%	0.217	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	151.3	171	-66.9	0	0	0	0	108	P37 I39 T96 C97	P37-S105 WeakPolarHBondContact O-CB 3.37Å; P37-S105 PolarHBondContact O-OG 2.79Å; I39-S105 VanDerWaalsContact CD1-C 3.43Å; I39-S105 WeakPolarHBondContact CD1-O 3.24Å; T96-S105 CarbonylContact C-O 3.45Å; T96-S105 WeakPolarHBondContact CA-O 3.47Å; C97-S105 PolarHBondContact N-O 2.91Å; C97-S105 PolarHBondContact O-N 2.88Å
106	S	94.7	Very high	92.8	Very high	64 Å²	64	49.6 Å²	49.6	45%	0.448	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	155.3	179.9	79.1	0	0	0	0	113.5	N94 Y95 T96	N94-S106 VanDerWaalsContact OD1-CB 3.25Å; N94-S106 WeakPolarHBondContact OD1-CB 3.48Å; N94-S106 PolarHBondContact OD1-OG 3.26Å; Y95-S106 CarbonylContact O-C 3.59Å; Y95-S106 WeakPolarHBondContact O-CA 3.28Å; Y95-S106 WeakPolarHBondContact O-CB 3.39Å; T96-S106 WeakPolarHBondContact OG1-CB 3.08Å
107	I	95.3	Very high	92.8	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	133.3	173.3	-176	169.5	0	0	0	108.5	I39 P41 K43 L46 L56 N94 Y95	I39-I107 HydrophobicContact CG2-CB 4.38Å; I39-I107 HydrophobicContact CG2-CG2 3.96Å; P41-I107 HydrophobicContact CG-CD1 4.22Å; K43-I107 HydrophobicContact CB-CD1 4.46Å; K43-I107 VanDerWaalsContact O-CD1 3.32Å; K43-I107 WeakPolarHBondContact O-CD1 3.22Å; K43-I107 WeakPolarHBondContact O-CG1 3.47Å; L46-I107 HydrophobicContact CB-CD1 3.95Å; L46-I107 HydrophobicContact CB-CG1 4.43Å; L56-I107 HydrophobicContact CD1-CG2 3.8Å; L56-I107 HydrophobicContact CD2-CD1 4.31Å; L56-I107 HydrophobicContact CD2-CG2 4.09Å; N94-I107 PolarHBondContact OD1-O 3.15Å; Y95-I107 PolarHBondContact N-O 3.3Å; Y95-I107 PolarHBondContact O-N 3.37Å
108	Y	96.5	Very high	92.8	Very high	18 Å²	18	49.7 Å²	49.7	7%	0.071	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	125.1	174.2	-157.9	-81	0	0	0	109.5	S44 E45 L46 T92 G93 N94 F110 K167	S44-Y108 PolarHBondContact O-N 3.19Å; E45-Y108 CarbonylContact C-O 3.5Å; E45-Y108 VanDerWaalsContact CA-O 3.26Å; E45-Y108 WeakPolarHBondContact CA-O 3.06Å; L46-Y108 PolarHBondContact N-O 3.34Å; T92-Y108 HydrophobicContact CG2-CE1 3.9Å; G93-Y108 WeakPolarHBondContact O-CA 3.18Å; N94-Y108 HydrophobicContact CB-CD2 4.04Å; N94-Y108 HydrophobicContact CB-CE2 4.39Å; Y108-F110 HydrophobicContact CD1-CD1 4.24Å; Y108-F110 AromaticContact CD1-CD2 3.92Å; Y108-F110 HydrophobicContact CD1-CD2 3.92Å; Y108-F110 AromaticContact CD1-CE1 4Å; Y108-F110 HydrophobicContact CD1-CE1 4Å; Y108-F110 AromaticContact CD1-CE2 3.66Å; Y108-F110 HydrophobicContact CD1-CE2 3.66Å; Y108-F110 HydrophobicContact CD1-CG 4.21Å; Y108-F110 AromaticContact CD1-CZ 3.7Å; Y108-F110 HydrophobicContact CD1-CZ 3.7Å; Y108-F110 AromaticContact CE1-CD1 3.87Å; Y108-F110 HydrophobicContact CE1-CD1 3.87Å; Y108-F110 HydrophobicContact CE1-CD2 4.37Å; Y108-F110 AromaticContact CE1-CE1 3.54Å; Y108-F110 HydrophobicContact CE1-CE1 3.54Å; Y108-F110 HydrophobicContact CE1-CE2 4.09Å; Y108-F110 HydrophobicContact CE1-CG 4.28Å; Y108-F110 AromaticContact CE1-CZ 3.66Å; Y108-F110 HydrophobicContact CE1-CZ 3.66Å; Y108-K167 HydrophobicContact CD1-CG 4.14Å; Y108-K167 HydrophobicContact CD2-CB 4.19Å; Y108-K167 HydrophobicContact CD2-CD 3.83Å; Y108-K167 HydrophobicContact CD2-CG 3.93Å; Y108-K167 HydrophobicContact CE1-CB 4.43Å; Y108-K167 HydrophobicContact CE1-CG 4.06Å; Y108-K167 HydrophobicContact CE2-CB 3.65Å; Y108-K167 HydrophobicContact CE2-CD 4.17Å; Y108-K167 HydrophobicContact CE2-CG 3.83Å; Y108-K167 HydrophobicContact CG-CD 3.99Å; Y108-K167 HydrophobicContact CG-CG 4.08Å; Y108-K167 WeakPolarHBondContact OH-CA 3.33Å; Y108-K167 PolarHBondContact OH-O 3.04Å
109	V	96.9	Very high	92.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125	177.6	-175.3	0	0	0	0	108.6	L46 V48 I54 L56 T92 G93 Y95 V111	L46-V109 HydrophobicContact CB-CG2 4.31Å; L46-V109 HydrophobicContact CD2-CG1 4.49Å; L46-V109 HydrophobicContact CD2-CG2 4.35Å; L46-V109 CarbonylContact O-C 3.46Å; L46-V109 VanDerWaalsContact O-CA 3.31Å; L46-V109 WeakPolarHBondContact O-CA 3.4Å; V48-V109 HydrophobicContact CG2-CG1 3.89Å; I54-V109 HydrophobicContact CD1-CG1 4.14Å; I54-V109 HydrophobicContact CG1-CG1 4.3Å; I54-V109 HydrophobicContact CG2-CG1 4.44Å; I54-V109 HydrophobicContact CG2-CG2 4.46Å; L56-V109 HydrophobicContact CD1-CG2 4.2Å; L56-V109 HydrophobicContact CD2-CG2 4.47Å; T92-V109 CarbonylContact C-O 3.59Å; T92-V109 WeakPolarHBondContact CA-O 3.43Å; T92-V109 WeakPolarHBondContact CG2-O 3.49Å; G93-V109 PolarHBondContact N-O 3.38Å; G93-V109 PolarHBondContact O-N 2.91Å; Y95-V109 HydrophobicContact CD2-CB 3.96Å; Y95-V109 HydrophobicContact CD2-CG2 3.49Å; Y95-V109 VanDerWaalsContact CD2-CG2 3.49Å; Y95-V109 HydrophobicContact CE2-CB 3.69Å; Y95-V109 HydrophobicContact CE2-CG2 3.64Å; Y95-V109 HydrophobicContact CG-CG2 4.38Å; V109-V111 HydrophobicContact CG1-CG2 4.19Å
110	F	97.2	Very high	92.7	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.009	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	119	170	-72.4	-76.6	0	0	0	109.1	E45 L46 I47 V48 T92 Y108 L138 T139 P141 P166 K167	E45-F110 HydrophobicContact CG-CE2 4.39Å; L46-F110 PolarHBondContact O-N 2.62Å; I47-F110 CarbonylContact C-O 3.59Å; I47-F110 WeakPolarHBondContact CA-O 3.45Å; I47-F110 HydrophobicContact CG1-CB 4.3Å; V48-F110 PolarHBondContact N-O 3.32Å; T92-F110 HydrophobicContact CG2-CD1 4.04Å; Y108-F110 HydrophobicContact CD1-CD1 4.24Å; Y108-F110 AromaticContact CD1-CD2 3.92Å; Y108-F110 HydrophobicContact CD1-CD2 3.92Å; Y108-F110 AromaticContact CD1-CE1 4Å; Y108-F110 HydrophobicContact CD1-CE1 4Å; Y108-F110 AromaticContact CD1-CE2 3.66Å; Y108-F110 HydrophobicContact CD1-CE2 3.66Å; Y108-F110 HydrophobicContact CD1-CG 4.21Å; Y108-F110 AromaticContact CD1-CZ 3.7Å; Y108-F110 HydrophobicContact CD1-CZ 3.7Å; Y108-F110 AromaticContact CE1-CD1 3.87Å; Y108-F110 HydrophobicContact CE1-CD1 3.87Å; Y108-F110 HydrophobicContact CE1-CD2 4.37Å; Y108-F110 AromaticContact CE1-CE1 3.54Å; Y108-F110 HydrophobicContact CE1-CE1 3.54Å; Y108-F110 HydrophobicContact CE1-CE2 4.09Å; Y108-F110 HydrophobicContact CE1-CG 4.28Å; Y108-F110 AromaticContact CE1-CZ 3.66Å; Y108-F110 HydrophobicContact CE1-CZ 3.66Å; F110-L138 VanDerWaalsContact CD1-O 3.27Å; F110-L138 WeakPolarHBondContact CD1-O 3.19Å; F110-L138 WeakPolarHBondContact CE1-O 3.4Å; F110-T139 WeakPolarHBondContact CB-O 3.26Å; F110-P141 HydrophobicContact CB-CG 4.29Å; F110-P141 HydrophobicContact CD1-CB 4.37Å; F110-P141 HydrophobicContact CD1-CG 4.28Å; F110-P141 HydrophobicContact CD2-CB 4.1Å; F110-P141 HydrophobicContact CD2-CG 3.65Å; F110-P141 HydrophobicContact CE1-CB 4.17Å; F110-P141 HydrophobicContact CE2-CB 3.88Å; F110-P141 HydrophobicContact CE2-CG 3.94Å; F110-P141 HydrophobicContact CG-CB 4.34Å; F110-P141 HydrophobicContact CG-CG 3.83Å; F110-P141 HydrophobicContact CZ-CB 3.92Å; F110-P141 HydrophobicContact CZ-CG 4.38Å; F110-P166 HydrophobicContact CZ-CB 4.39Å; F110-K167 HydrophobicContact CZ-CG 3.87Å
111	V	96.7	Very high	92.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	90	175.8	-173.6	0	0	0	0	109.2	V48 I54 A87 E88 N91 T92 V109 D113 T139	V48-V111 CarbonylContact O-C 3.6Å; V48-V111 VanDerWaalsContact O-CA 3.26Å; V48-V111 WeakPolarHBondContact O-CA 3.49Å; I54-V111 HydrophobicContact CD1-CG2 3.82Å; A87-V111 HydrophobicContact CB-CG1 3.65Å; A87-V111 HydrophobicContact CB-CG2 4.15Å; E88-V111 WeakPolarHBondContact O-CB 3.44Å; E88-V111 WeakPolarHBondContact O-CG1 3.35Å; N91-V111 HydrophobicContact CB-CG2 4.08Å; T92-V111 PolarHBondContact OG1-N 2.03Å; V109-V111 HydrophobicContact CG1-CG2 4.19Å; V111-D113 PolarHBondContact O-N 3.38Å; V111-T139 CarbonylContact C-O 3.53Å; V111-T139 VanDerWaalsContact C-O 3.3Å; V111-T139 PolarHBondContact N-O 3.17Å; V111-T139 WeakPolarHBondContact O-CB 3.5Å
112	R	94.7	Very high	92.6	Very high	103 Å²	103	47.3 Å²	47.3	39%	0.389	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	120.7	-175.4	63.2	-176.9	175.4	-176.8	-1.7	110.5	I47 V48 S49 V50 T139 D140	I47-R112 HydrophobicContact CG2-CG 4.33Å; V48-R112 WeakPolarHBondContact O-CG 3.49Å; V48-R112 PolarHBondContact O-N 3.43Å; S49-R112 PolarHBondContact OG-NE 3.3Å; S49-R112 PolarHBondContact OG-NH2 2.85Å; V50-R112 PolarHBondContact N-O 2.87Å; R112-T139 WeakPolarHBondContact CA-O 3.03Å; R112-T139 PolarHBondContact N-O 2.82Å; R112-D140 HydrophobicContact CB-CB 3.87Å
113	D	93.2	Very high	92.7	Very high	15 Å²	15	48.3 Å²	48.3	8%	0.08	26%	0.257	C	S	.	.			trans	-127.1	113.5	177.5	-179	-10.5	0	0	0	108.4	V50 A89 V111 E115 K116	V50-D113 HydrophobicContact CB-CB 4.21Å; V50-D113 HydrophobicContact CG1-CB 4.47Å; A89-D113 HydrophobicContact CB-CB 3.81Å; V111-D113 PolarHBondContact O-N 3.38Å; D113-E115 PolarHBondContact O-N 2.74Å; D113-E115 VanDerWaalsContact O-N 3.14Å; D113-E115 WeakPolarHBondContact OD1-CB 3.28Å; D113-E115 PolarHBondContact OD1-N 3.38Å; D113-K116 HydrophobicContact CB-CB 4.17Å; D113-K116 CarbonylContact O-C 3.56Å; D113-K116 PolarHBondContact O-N 3.5Å; D113-K116 VanDerWaalsContact O-N 3.09Å
114	P	87.3	Confident	92.8	Very high	84 Å²	84	46.1 Å²	46.1	55%	0.545	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-24.1	178.3	-23.6	33.5	0	0	0	114.4
115	E	89.6	Confident	92.9	Very high	175 Å²	175	48.8 Å²	48.8	82%	0.818	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-26.6	178	-60.7	-166.2	164.5	0	0	112.6	D113	D113-E115 PolarHBondContact O-N 2.74Å; D113-E115 VanDerWaalsContact O-N 3.14Å; D113-E115 WeakPolarHBondContact OD1-CB 3.28Å; D113-E115 PolarHBondContact OD1-N 3.38Å
116	K	92.2	Very high	92.9	Very high	104 Å²	104	47.5 Å²	47.5	45%	0.452	24%	0.239	S	C	.	.			trans	-128.2	79.4	-174.1	-66.2	178.4	-175.9	166.5	0	111.1	A89 D113 T139	A89-K116 HydrophobicContact CB-CB 3.92Å; A89-K116 HydrophobicContact CB-CD 3.94Å; D113-K116 HydrophobicContact CB-CB 4.17Å; D113-K116 CarbonylContact O-C 3.56Å; D113-K116 PolarHBondContact O-N 3.5Å; D113-K116 VanDerWaalsContact O-N 3.09Å; K116-T139 WeakPolarHBondContact O-CB 3.18Å; K116-T139 WeakPolarHBondContact O-CG2 3.47Å; K116-T139 PolarHBondContact O-OG1 3.37Å
117	L	94.2	Very high	92.8	Very high	5 Å²	5	49.9 Å²	49.9	3%	0.026	24%	0.241	C	C	.	.			trans	-71.6	-31.8	176.4	-176.7	59.9	0	0	0	113.7	L138 T139 D140 V143 A188 Q190 M195	L117-L138 HydrophobicContact CD1-CD2 4.14Å; L117-L138 HydrophobicContact CD2-CD2 4.49Å; L117-L138 HydrophobicContact CG-CD2 3.95Å; L117-L138 WeakPolarHBondContact O-CA 3.36Å; L117-T139 WeakPolarHBondContact CA-OG1 3.41Å; L117-T139 PolarHBondContact O-N 3.22Å; L117-T139 PolarHBondContact O-OG1 2.79Å; L117-D140 HydrophobicContact CD1-CB 3.92Å; L117-V143 HydrophobicContact CD1-CG1 3.8Å; L117-V143 HydrophobicContact CD2-CG1 4.29Å; L117-A188 HydrophobicContact CD2-CB 4.01Å; L117-Q190 HydrophobicContact CD2-CB 4.4Å; L117-M195 HydrophobicContact CD2-CB 3.76Å; L117-M195 HydrophobicContact CD2-CG 4.12Å
118	F	95	Very high	92.6	Very high	22 Å²	22	50.6 Å²	50.6	10%	0.096	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-117.8	130.9	-177.6	-55.4	-82.5	0	0	0	110.6	I120 C136 L138 Y146 C186 A188 M195	F118-I120 HydrophobicContact CB-CD1 4.48Å; F118-I120 HydrophobicContact CB-CG1 4.22Å; F118-C136 HydrophobicContact CD1-CB 4.45Å; F118-L138 HydrophobicContact CD1-CD2 3.64Å; F118-L138 HydrophobicContact CE1-CD2 3.41Å; F118-L138 VanDerWaalsContact CE1-CD2 3.41Å; F118-L138 HydrophobicContact CZ-CD2 4.21Å; F118-Y146 HydrophobicContact CD1-CE2 4.39Å; F118-Y146 HydrophobicContact CE1-CD2 4.12Å; F118-Y146 AromaticContact CE1-CE2 3.8Å; F118-Y146 HydrophobicContact CE1-CE2 3.8Å; F118-C186 HydrophobicContact CD1-CB 4.16Å; F118-C186 HydrophobicContact CE1-CB 3.92Å; F118-C186 HydrophobicContact CZ-CB 4.46Å; F118-A188 HydrophobicContact CE1-CB 4.18Å; F118-A188 HydrophobicContact CZ-CB 3.76Å; F118-M195 HydrophobicContact CE2-CB 4.36Å
119	L	93.9	Very high	92.4	Very high	17 Å²	17	55 Å²	55	9%	0.089	27%	0.266	C	S	.	.			trans	-89.2	141.9	159.7	-56.7	-179.7	0	0	0	108.5	I70 L71 A89 C136 P137 T139	I70-L119 HydrophobicContact CD1-CD1 4.16Å; I70-L119 HydrophobicContact CG1-CD1 3.81Å; L71-L119 HydrophobicContact CD1-CB 3.64Å; A89-L119 HydrophobicContact CB-CD2 4.3Å; L119-C136 CarbonylContact O-C 3.57Å; L119-C136 WeakPolarHBondContact O-CA 3.32Å; L119-P137 HydrophobicContact CB-CG 4.21Å; L119-P137 PolarHBondContact N-O 2.84Å; L119-P137 VanDerWaalsContact O-CD 3.27Å; L119-P137 WeakPolarHBondContact O-CD 3.18Å; L119-T139 HydrophobicContact CD1-CG2 4.38Å; L119-T139 HydrophobicContact CD2-CG2 3.95Å; L119-T139 HydrophobicContact CG-CG2 3.75Å
120	I	90.2	Very high	92.3	Very high	47 Å²	47	58.9 Å²	58.9	24%	0.241	29%	0.287	C	S	.	.			trans	-134	134.7	-168.5	-63.2	172.4	0	0	0	110.6	F118 L122 K198 F200	F118-I120 HydrophobicContact CB-CD1 4.48Å; F118-I120 HydrophobicContact CB-CG1 4.22Å; I120-L122 HydrophobicContact CG2-CD1 4.26Å; I120-L122 HydrophobicContact CG2-CG 3.96Å; I120-K198 HydrophobicContact CD1-CB 3.59Å; I120-K198 HydrophobicContact CD1-CD 4.3Å; I120-K198 HydrophobicContact CD1-CG 3.83Å; I120-F200 HydrophobicContact CB-CZ 4.29Å; I120-F200 HydrophobicContact CG1-CZ 4.23Å; I120-F200 HydrophobicContact CG2-CE1 3.78Å; I120-F200 HydrophobicContact CG2-CE2 4.24Å; I120-F200 HydrophobicContact CG2-CZ 3.44Å; I120-F200 VanDerWaalsContact CG2-CZ 3.44Å
121	D	85.3	Confident	92.3	Very high	51 Å²	51	62.3 Å²	62.3	27%	0.273	31%	0.305	S	S	.	.			trans	-116.8	122.4	168.4	177.4	34.4	0	0	0	110.7	L71 R135 F200	L71-D121 HydrophobicContact CB-CB 4.34Å; L71-D121 HydrophobicContact CD1-CB 4.39Å; L71-D121 HydrophobicContact CD2-CB 3.93Å; L71-D121 HydrophobicContact CG-CB 4.46Å; D121-R135 HydrophobicContact CB-CB 3.95Å; D121-R135 PolarHBondContact N-O 2.92Å; D121-R135 VanDerWaalsContact OD2-CD 3.29Å; D121-R135 WeakPolarHBondContact OD2-CD 3.34Å; D121-R135 IonicContact OD2-CZ 2.71Å; D121-R135 IonicContact OD2-NE 3.38Å; D121-R135 IonicContact OD2-NH1 2.69Å; D121-R135 PolarHBondContact OD2-NH1 2.81Å; D121-F200 WeakPolarHBondContact O-CE1 3.3Å
122	L	85.3	Confident	92.2	Very high	85 Å²	85	62.8 Å²	62.8	45%	0.445	31%	0.308	S	S	.	.			trans	-121.8	139.4	178	-74.7	165.8	0	0	0	107.5	I120 F200	I120-L122 HydrophobicContact CG2-CD1 4.26Å; I120-L122 HydrophobicContact CG2-CG 3.96Å; L122-F200 HydrophobicContact CD2-CB 4.46Å; L122-F200 HydrophobicContact CD2-CD1 3.45Å; L122-F200 VanDerWaalsContact CD2-CD1 3.45Å; L122-F200 HydrophobicContact CD2-CE1 3.92Å; L122-F200 HydrophobicContact CD2-CG 4.09Å; L122-F200 HydrophobicContact CG-CD1 4.37Å; L122-F200 HydrophobicContact CG-CE1 4.38Å
123	P	90.6	Very high	92.3	Very high	76 Å²	76	60.6 Å²	60.6	49%	0.494	30%	0.304	S	S	.	.			cis	-94.4	165.1	15.3	35.9	-39.3	0	0	0	116.3	Y125	P123-Y125 HydrophobicContact CB-CD2 4.37Å; P123-Y125 HydrophobicContact CB-CE2 3.77Å; P123-Y125 HydrophobicContact CG-CD2 4.02Å; P123-Y125 HydrophobicContact CG-CE2 3.3Å
124	L	94	Very high	92.4	Very high	10 Å²	10	59.9 Å²	59.9	5%	0.052	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	115.1	177.6	-178.1	65.1	0	0	0	112	T132 L133 V134 L184 F200 L202 K203	L124-T132 HydrophobicContact CD1-CG2 3.71Å; L124-T132 HydrophobicContact CG-CG2 4.42Å; L124-L133 VanDerWaalsContact CD1-O 3.31Å; L124-L133 WeakPolarHBondContact CD1-O 3.2Å; L124-V134 HydrophobicContact CD1-CG2 4.41Å; L124-V134 HydrophobicContact CD2-CG2 3.92Å; L124-L184 HydrophobicContact CD2-CD1 4.36Å; L124-F200 HydrophobicContact CB-CD1 4.32Å; L124-F200 HydrophobicContact CD2-CB 4.1Å; L124-L202 HydrophobicContact CD2-CB 3.97Å; L124-L202 HydrophobicContact CD2-CD1 3.94Å; L124-L202 HydrophobicContact CG-CB 4.49Å; L124-L202 HydrophobicContact CG-CD1 3.78Å; L124-K203 PolarHBondContact O-N 3.47Å
125	Y	94.2	Very high	92.7	Very high	115 Å²	115	61 Å²	61	45%	0.451	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	136.7	174.7	-65	-79.1	0	0	0	110.8	P123 T132 K203	P123-Y125 HydrophobicContact CB-CD2 4.37Å; P123-Y125 HydrophobicContact CB-CE2 3.77Å; P123-Y125 HydrophobicContact CG-CD2 4.02Å; P123-Y125 HydrophobicContact CG-CE2 3.3Å; Y125-T132 VanDerWaalsContact O-CG2 3.26Å; Y125-T132 WeakPolarHBondContact O-CG2 3.38Å; Y125-K203 WeakPolarHBondContact CA-O 3.03Å; Y125-K203 HydrophobicContact CD1-CB 3.55Å; Y125-K203 HydrophobicContact CD1-CD 4.34Å; Y125-K203 HydrophobicContact CE1-CB 3.68Å; Y125-K203 HydrophobicContact CE1-CD 3.58Å; Y125-K203 HydrophobicContact CE1-CG 4.23Å
126	G	93	Very high	93	Very high	4 Å²	4	52.7 Å²	52.7	4%	0.041	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	149.3	172.2	0	0	0	0	0	111.2	T132 K203 V204 R205	G126-T132 WeakPolarHBondContact CA-OG1 3.26Å; G126-K203 PolarHBondContact N-O 3.32Å; G126-V204 CarbonylContact O-C 3.51Å; G126-V204 VanDerWaalsContact O-CA 3.3Å; G126-V204 WeakPolarHBondContact O-CA 3.45Å; G126-R205 PolarHBondContact O-N 2.98Å
127	K	93.3	Very high	93.2	Very high	113 Å²	113	47.8 Å²	47.8	49%	0.491	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	137.8	166.6	-174.1	-178.2	176.4	-172.5	0	107.7	E129 N130	K127-E129 PolarHBondContact O-N 2.99Å; K127-N130 HydrophobicContact CB-CB 4.09Å; K127-N130 WeakPolarHBondContact O-CB 3.35Å; K127-N130 PolarHBondContact O-N 3.22Å; K127-N130 VanDerWaalsContact O-N 3.08Å
128	E	92.3	Very high	93.3	Very high	16 Å²	16	47.6 Å²	47.6	8%	0.075	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	138.2	173.2	-166	-165.6	174.2	0	0	110.3	N130 V175 R177 V204 R205 A207 K209	E128-N130 PolarHBondContact O-N 3.01Å; E128-N130 PolarHBondContact O-OD1 3.3Å; E128-V175 CarbonylContact C-O 3.59Å; E128-V175 VanDerWaalsContact CA-O 3.27Å; E128-V175 WeakPolarHBondContact CA-O 3.42Å; E128-R177 VanDerWaalsContact CD-CG 3.46Å; E128-R177 VanDerWaalsContact CD-NE 3.35Å; E128-R177 HydrophobicContact CG-CG 3.94Å; E128-R177 IonicContact OE1-NE 2.69Å; E128-R177 PolarHBondContact OE1-NE 3.5Å; E128-R177 WeakPolarHBondContact OE2-CG 3.3Å; E128-R177 IonicContact OE2-CZ 3.71Å; E128-R177 IonicContact OE2-NE 3.27Å; E128-R177 PolarHBondContact OE2-NE 3.33Å; E128-R177 IonicContact OE2-NH2 3.57Å; E128-R177 PolarHBondContact OE2-NH2 3.07Å; E128-V204 HydrophobicContact CB-CG1 4.29Å; E128-R205 PolarHBondContact N-O 2.81Å; E128-A207 HydrophobicContact CB-CB 4.01Å; E128-A207 HydrophobicContact CG-CB 4.49Å; E128-A207 PolarHBondContact OE2-N 3.36Å; E128-K209 WeakPolarHBondContact OE1-CE 3.49Å; E128-K209 IonicContact OE1-NZ 2.6Å; E128-K209 PolarHBondContact OE1-NZ 3.47Å
129	E	91.3	Very high	93.3	Very high	111 Å²	111	46.6 Å²	46.6	52%	0.519	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	-1.9	-176.4	-53.8	-179.9	166.1	0	0	115.9	K127 N174 V175 K209	K127-E129 PolarHBondContact O-N 2.99Å; E129-N174 WeakPolarHBondContact CA-OD1 3.45Å; E129-V175 PolarHBondContact N-O 3.47Å; E129-K209 WeakPolarHBondContact OE1-CE 3.46Å; E129-K209 IonicContact OE1-NZ 3.77Å; E129-K209 PolarHBondContact OE1-NZ 2.9Å
130	N	94.7	Very high	93.3	Very high	82 Å²	82	46.6 Å²	46.6	44%	0.439	23%	0.228	S	C	.	.	S	Bend	trans	-100.6	151.3	171.7	-71.6	64.5	0	0	0	110.8	K127 E128 V175	K127-N130 HydrophobicContact CB-CB 4.09Å; K127-N130 WeakPolarHBondContact O-CB 3.35Å; K127-N130 PolarHBondContact O-N 3.22Å; K127-N130 VanDerWaalsContact O-N 3.08Å; E128-N130 PolarHBondContact O-N 3.01Å; E128-N130 PolarHBondContact O-OD1 3.3Å; N130-V175 WeakPolarHBondContact O-CB 3.22Å; N130-V175 WeakPolarHBondContact O-CG2 3.46Å; N130-V175 PolarHBondContact O-N 3.45Å
131	D	96.6	Very high	93.5	Very high	74 Å²	74	45.9 Å²	45.9	40%	0.396	23%	0.227	S	C	.	.			trans	-69.8	147.5	167.9	-68.7	-6.4	0	0	0	110.4	T171 I172 R173 N174	D131-T171 HydrophobicContact CB-CG2 3.91Å; D131-I172 WeakPolarHBondContact CA-O 3.19Å; D131-R173 VanDerWaalsContact OD1-CA 3.23Å; D131-R173 WeakPolarHBondContact OD1-CA 3.37Å; D131-R173 WeakPolarHBondContact OD2-CD 3.46Å; D131-R173 IonicContact OD2-CZ 3.67Å; D131-R173 IonicContact OD2-NE 3.37Å; D131-R173 IonicContact OD2-NH1 2.79Å; D131-R173 PolarHBondContact OD2-NH1 3.29Å; D131-N174 PolarHBondContact OD1-N 3.19Å
132	T	95.9	Very high	93.7	Very high	10 Å²	10	50 Å²	50	6%	0.061	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	125.2	-179.1	-62.3	0	0	0	0	111	L124 Y125 G126 I172 V175 L202	L124-T132 HydrophobicContact CD1-CG2 3.71Å; L124-T132 HydrophobicContact CG-CG2 4.42Å; Y125-T132 VanDerWaalsContact O-CG2 3.26Å; Y125-T132 WeakPolarHBondContact O-CG2 3.38Å; G126-T132 WeakPolarHBondContact CA-OG1 3.26Å; T132-I172 PolarHBondContact N-O 3.1Å; T132-I172 PolarHBondContact O-N 2.92Å; T132-V175 WeakPolarHBondContact OG1-CG2 3.29Å; T132-L202 HydrophobicContact CG2-CD1 4.14Å
133	L	95.7	Very high	94.1	Very high	56 Å²	56	47.1 Å²	47.1	29%	0.293	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	116.8	179.4	-179.8	64.6	0	0	0	111.2	L124 R135 A168 T171	L124-L133 VanDerWaalsContact CD1-O 3.31Å; L124-L133 WeakPolarHBondContact CD1-O 3.2Å; L133-R135 HydrophobicContact CD2-CG 3.93Å; L133-R135 HydrophobicContact CG-CG 3.97Å; L133-R135 PolarHBondContact O-N 2.86Å; L133-A168 HydrophobicContact CD1-CB 4.31Å; L133-A168 HydrophobicContact CD2-CB 4.3Å; L133-T171 WeakPolarHBondContact CD1-OG1 3.48Å
134	V	95.9	Very high	94.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	102.7	162.6	-172.5	0	0	0	0	107.4	L124 C136 L148 G169 I170 I172 F200	L124-V134 HydrophobicContact CD1-CG2 4.41Å; L124-V134 HydrophobicContact CD2-CG2 3.92Å; V134-C136 PolarHBondContact O-N 2.82Å; V134-C136 PolarHBondContact O-SG 3.42Å; V134-L148 HydrophobicContact CG1-CD1 4.49Å; V134-L148 HydrophobicContact CG2-CD1 4.33Å; V134-G169 CarbonylContact O-C 3.54Å; V134-G169 WeakPolarHBondContact O-CA 3.45Å; V134-I170 WeakPolarHBondContact CA-O 3.34Å; V134-I170 HydrophobicContact CB-CB 4.43Å; V134-I170 VanDerWaalsContact CB-O 3.31Å; V134-I170 WeakPolarHBondContact CB-O 3.4Å; V134-I170 WeakPolarHBondContact CG2-O 3.19Å; V134-I170 PolarHBondContact N-O 2.74Å; V134-I170 PolarHBondContact O-N 3.18Å; V134-I172 HydrophobicContact CG2-CD1 3.63Å; V134-I172 HydrophobicContact CG2-CG1 3.93Å; V134-F200 HydrophobicContact CG1-CD1 3.95Å; V134-F200 HydrophobicContact CG1-CD2 3.79Å; V134-F200 HydrophobicContact CG1-CE1 3.97Å; V134-F200 HydrophobicContact CG1-CE2 3.81Å; V134-F200 HydrophobicContact CG1-CG 3.85Å; V134-F200 HydrophobicContact CG1-CZ 3.89Å
135	R	94.6	Very high	94	Very high	109 Å²	109	52.4 Å²	52.4	41%	0.411	26%	0.258	S	S	.	.			trans	-76.4	87	-174.2	-67.7	-173.2	-171.5	116.3	7.6	111.5	L71 D121 L133	L71-R135 HydrophobicContact CD2-CB 3.74Å; L71-R135 HydrophobicContact CD2-CG 4.41Å; D121-R135 HydrophobicContact CB-CB 3.95Å; D121-R135 PolarHBondContact N-O 2.92Å; D121-R135 VanDerWaalsContact OD2-CD 3.29Å; D121-R135 WeakPolarHBondContact OD2-CD 3.34Å; D121-R135 IonicContact OD2-CZ 2.71Å; D121-R135 IonicContact OD2-NE 3.38Å; D121-R135 IonicContact OD2-NH1 2.69Å; D121-R135 PolarHBondContact OD2-NH1 2.81Å; L133-R135 HydrophobicContact CD2-CG 3.93Å; L133-R135 HydrophobicContact CG-CG 3.97Å; L133-R135 PolarHBondContact O-N 2.86Å
136	C	95.4	Very high	94.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.241	C	C	.	.			trans	-135.3	49.3	179.2	58.7	0	0	0	0	113.6	F118 L119 V134 Y146 C186 F200	F118-C136 HydrophobicContact CD1-CB 4.45Å; L119-C136 CarbonylContact O-C 3.57Å; L119-C136 WeakPolarHBondContact O-CA 3.32Å; V134-C136 PolarHBondContact O-N 2.82Å; V134-C136 PolarHBondContact O-SG 3.42Å; C136-Y146 PolarHBondContact O-OH 2.78Å; C136-Y146 PolarHBondContact SG-OH 3.27Å; C136-C186 HydrophobicContact CB-CB 3.73Å; C136-C186 WeakPolarHBondContact CB-SG 3.46Å; C136-C186 WeakPolarHBondContact SG-CB 3.29Å; C136-C186 CovalentContact SG-SG 2.03Å; C136-C186 PolarHBondContact SG-SG 3.2Å; C136-F200 HydrophobicContact CB-CE2 4.14Å; C136-F200 HydrophobicContact CB-CZ 3.97Å
137	P	95.8	Very high	94.2	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.006	25%	0.245	C	C	.	.			trans	-58	150.4	-176.3	27	-35.2	0	0	0	112.3	I70 L71 L119 P166 A168	I70-P137 HydrophobicContact CD1-CG 4.01Å; L71-P137 HydrophobicContact CD1-CG 4.45Å; L71-P137 HydrophobicContact CD2-CG 3.96Å; L71-P137 HydrophobicContact CG-CG 4.21Å; L119-P137 HydrophobicContact CB-CG 4.21Å; L119-P137 PolarHBondContact N-O 2.84Å; L119-P137 VanDerWaalsContact O-CD 3.27Å; L119-P137 WeakPolarHBondContact O-CD 3.18Å; P137-P166 WeakPolarHBondContact CA-O 3.29Å; P137-P166 WeakPolarHBondContact CB-O 3.22Å; P137-A168 WeakPolarHBondContact CD-O 3.35Å
138	L	96.1	Very high	94.2	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-85.9	141.1	-176.7	-67.6	169.9	0	0	0	110.5	F110 L117 F118 V143 Y146 P166 A188	F110-L138 VanDerWaalsContact CD1-O 3.27Å; F110-L138 WeakPolarHBondContact CD1-O 3.19Å; F110-L138 WeakPolarHBondContact CE1-O 3.4Å; L117-L138 HydrophobicContact CD1-CD2 4.14Å; L117-L138 HydrophobicContact CD2-CD2 4.49Å; L117-L138 HydrophobicContact CG-CD2 3.95Å; L117-L138 WeakPolarHBondContact O-CA 3.36Å; F118-L138 HydrophobicContact CD1-CD2 3.64Å; F118-L138 HydrophobicContact CE1-CD2 3.41Å; F118-L138 VanDerWaalsContact CE1-CD2 3.41Å; F118-L138 HydrophobicContact CZ-CD2 4.21Å; L138-V143 HydrophobicContact CD1-CG2 3.46Å; L138-V143 VanDerWaalsContact CD1-CG2 3.46Å; L138-V143 HydrophobicContact CD2-CG2 4.27Å; L138-V143 HydrophobicContact CG-CG2 4.47Å; L138-Y146 HydrophobicContact CD1-CD1 3.7Å; L138-Y146 HydrophobicContact CD1-CD2 4.1Å; L138-Y146 HydrophobicContact CD1-CE1 4.06Å; L138-Y146 HydrophobicContact CD1-CE2 4.43Å; L138-Y146 HydrophobicContact CD1-CG 3.73Å; L138-Y146 HydrophobicContact CD2-CD2 4.22Å; L138-Y146 HydrophobicContact CD2-CE2 4.23Å; L138-Y146 HydrophobicContact CG-CD1 4.35Å; L138-Y146 HydrophobicContact CG-CD2 4.31Å; L138-Y146 HydrophobicContact CG-CE1 4.26Å; L138-Y146 HydrophobicContact CG-CE2 4.22Å; L138-Y146 HydrophobicContact CG-CG 4.39Å; L138-P166 HydrophobicContact CB-CB 4.44Å; L138-P166 HydrophobicContact CD1-CB 3.96Å; L138-P166 HydrophobicContact CD1-CG 4.31Å; L138-P166 PolarHBondContact N-O 2.7Å; L138-A188 HydrophobicContact CD2-CB 4.25Å
139	T	95.4	Very high	94.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	-86.9	-17.3	171.9	60.1	0	0	0	0	112.5	A89 F110 V111 R112 K116 L117 L119	A89-T139 HydrophobicContact CB-CG2 4.1Å; F110-T139 WeakPolarHBondContact CB-O 3.26Å; V111-T139 CarbonylContact C-O 3.53Å; V111-T139 VanDerWaalsContact C-O 3.3Å; V111-T139 PolarHBondContact N-O 3.17Å; V111-T139 WeakPolarHBondContact O-CB 3.5Å; R112-T139 WeakPolarHBondContact CA-O 3.03Å; R112-T139 PolarHBondContact N-O 2.82Å; K116-T139 WeakPolarHBondContact O-CB 3.18Å; K116-T139 WeakPolarHBondContact O-CG2 3.47Å; K116-T139 PolarHBondContact O-OG1 3.37Å; L117-T139 WeakPolarHBondContact CA-OG1 3.41Å; L117-T139 PolarHBondContact O-N 3.22Å; L117-T139 PolarHBondContact O-OG1 2.79Å; L119-T139 HydrophobicContact CD1-CG2 4.38Å; L119-T139 HydrophobicContact CD2-CG2 3.95Å; L119-T139 HydrophobicContact CG-CG2 3.75Å
140	D	94.5	Very high	94.4	Very high	17 Å²	17	40.7 Å²	40.7	9%	0.091	22%	0.216	C	C	.	.			trans	-129.5	112.8	177.1	-173.7	-4.6	0	0	0	108.8	R112 L117 E142 Q190	R112-D140 HydrophobicContact CB-CB 3.87Å; L117-D140 HydrophobicContact CD1-CB 3.92Å; D140-E142 PolarHBondContact O-N 2.73Å; D140-E142 WeakPolarHBondContact OD1-CB 3.37Å; D140-E142 PolarHBondContact OD1-N 3.3Å; D140-Q190 PolarHBondContact OD2-NE2 3.22Å
141	P	92.8	Very high	94.3	Very high	33 Å²	33	37.1 Å²	37.1	21%	0.214	20%	0.197	C	C	.	.	S	Bend	trans	-75.7	-15.2	-179.6	32.6	-34.9	0	0	0	112	I47 F110 V143	I47-P141 HydrophobicContact CD1-CG 3.6Å; I47-P141 HydrophobicContact CG1-CG 3.91Å; F110-P141 HydrophobicContact CB-CG 4.29Å; F110-P141 HydrophobicContact CD1-CB 4.37Å; F110-P141 HydrophobicContact CD1-CG 4.28Å; F110-P141 HydrophobicContact CD2-CB 4.1Å; F110-P141 HydrophobicContact CD2-CG 3.65Å; F110-P141 HydrophobicContact CE1-CB 4.17Å; F110-P141 HydrophobicContact CE2-CB 3.88Å; F110-P141 HydrophobicContact CE2-CG 3.94Å; F110-P141 HydrophobicContact CG-CB 4.34Å; F110-P141 HydrophobicContact CG-CG 3.83Å; F110-P141 HydrophobicContact CZ-CB 3.92Å; F110-P141 HydrophobicContact CZ-CG 4.38Å; P141-V143 PolarHBondContact O-N 2.82Å
142	E	91.4	Very high	93.9	Very high	137 Å²	137	41.6 Å²	41.6	64%	0.64	22%	0.216	S	C	*	.			trans	-83.5	50	-177.8	-60.4	-173.8	164.7	0	0	112.1	I47 D140	I47-E142 HydrophobicContact CD1-CG 4.23Å; D140-E142 PolarHBondContact O-N 2.73Å; D140-E142 WeakPolarHBondContact OD1-CB 3.37Å; D140-E142 PolarHBondContact OD1-N 3.3Å
143	V	91.7	Very high	93.2	Very high	25 Å²	25	44.8 Å²	44.8	15%	0.152	25%	0.25	C	S	.	.			trans	-116.8	159.6	175.6	-63.5	0	0	0	0	112	L117 L138 P141 A188 Q190	L117-V143 HydrophobicContact CD1-CG1 3.8Å; L117-V143 HydrophobicContact CD2-CG1 4.29Å; L138-V143 HydrophobicContact CD1-CG2 3.46Å; L138-V143 VanDerWaalsContact CD1-CG2 3.46Å; L138-V143 HydrophobicContact CD2-CG2 4.27Å; L138-V143 HydrophobicContact CG-CG2 4.47Å; P141-V143 PolarHBondContact O-N 2.82Å; V143-A188 HydrophobicContact CB-CB 4.29Å; V143-A188 HydrophobicContact CG2-CB 4.03Å; V143-Q190 HydrophobicContact CG1-CB 4.2Å; V143-Q190 HydrophobicContact CG1-CG 4.27Å
144	T	91.9	Very high	92.8	Very high	91 Å²	91	48.9 Å²	48.9	56%	0.558	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.6	155.2	176.6	54.9	0	0	0	0	111	Y146 N189	T144-Y146 PolarHBondContact O-N 2.77Å; T144-N189 PolarHBondContact N-O 3.34Å; T144-N189 WeakPolarHBondContact O-CB 3.41Å; T144-N189 PolarHBondContact O-N 3.31Å; T144-N189 VanDerWaalsContact OG1-CB 3.31Å; T144-N189 WeakPolarHBondContact OG1-CB 3.38Å; T144-N189 PolarHBondContact OG1-O 3.49Å
145	N	91.9	Very high	92.5	Very high	106 Å²	106	54.5 Å²	54.5	57%	0.567	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	54.9	44.9	173.5	-161.1	35.8	0	0	0	115.3	S147	N145-S147 PolarHBondContact O-N 2.75Å; N145-S147 VanDerWaalsContact O-N 3.1Å; N145-S147 PolarHBondContact O-OG 3.31Å; N145-S147 VanDerWaalsContact O-OG 3.08Å
146	Y	95.1	Very high	92.5	Very high	28 Å²	28	51.1 Å²	51.1	11%	0.11	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	108.7	172.5	-179.6	-143.2	0	0	0	110.1	F118 C136 L138 T144 A164 P166 G169 I170 C186 S187 A188	F118-Y146 HydrophobicContact CD1-CE2 4.39Å; F118-Y146 HydrophobicContact CE1-CD2 4.12Å; F118-Y146 AromaticContact CE1-CE2 3.8Å; F118-Y146 HydrophobicContact CE1-CE2 3.8Å; C136-Y146 PolarHBondContact O-OH 2.78Å; C136-Y146 PolarHBondContact SG-OH 3.27Å; L138-Y146 HydrophobicContact CD1-CD1 3.7Å; L138-Y146 HydrophobicContact CD1-CD2 4.1Å; L138-Y146 HydrophobicContact CD1-CE1 4.06Å; L138-Y146 HydrophobicContact CD1-CE2 4.43Å; L138-Y146 HydrophobicContact CD1-CG 3.73Å; L138-Y146 HydrophobicContact CD2-CD2 4.22Å; L138-Y146 HydrophobicContact CD2-CE2 4.23Å; L138-Y146 HydrophobicContact CG-CD1 4.35Å; L138-Y146 HydrophobicContact CG-CD2 4.31Å; L138-Y146 HydrophobicContact CG-CE1 4.26Å; L138-Y146 HydrophobicContact CG-CE2 4.22Å; L138-Y146 HydrophobicContact CG-CG 4.39Å; T144-Y146 PolarHBondContact O-N 2.77Å; Y146-A164 HydrophobicContact CD1-CB 3.7Å; Y146-A164 HydrophobicContact CE1-CB 4.03Å; Y146-A164 HydrophobicContact CG-CB 4.3Å; Y146-P166 HydrophobicContact CD1-CG 4.45Å; Y146-G169 WeakPolarHBondContact OH-CA 3.37Å; Y146-G169 PolarHBondContact OH-O 2.81Å; Y146-I170 HydrophobicContact CD2-CD1 4.18Å; Y146-I170 HydrophobicContact CE1-CG1 4.1Å; Y146-I170 HydrophobicContact CE2-CD1 3.74Å; Y146-I170 HydrophobicContact CE2-CG1 3.84Å; Y146-C186 HydrophobicContact CE2-CB 4.25Å; Y146-S187 CarbonylContact C-O 3.08Å; Y146-S187 WeakPolarHBondContact CA-O 3.17Å; Y146-A188 HydrophobicContact CD2-CB 4.3Å
147	S	95.2	Very high	92.4	Very high	16 Å²	16	53 Å²	53	11%	0.112	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	172.9	-165	61.2	0	0	0	0	112.1	N145 I170 S187	N145-S147 PolarHBondContact O-N 2.75Å; N145-S147 VanDerWaalsContact O-N 3.1Å; N145-S147 PolarHBondContact O-OG 3.31Å; N145-S147 VanDerWaalsContact O-OG 3.08Å; S147-I170 WeakPolarHBondContact O-CD1 3.35Å; S147-S187 PolarHBondContact N-O 2.94Å; S147-S187 PolarHBondContact O-N 2.96Å
148	L	94.9	Very high	92.1	Very high	9 Å²	9	63.3 Å²	63.3	5%	0.047	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	140.6	177	-159.5	72.7	0	0	0	109.8	V134 L156 L160 F162 I170 I172 L184	V134-L148 HydrophobicContact CG1-CD1 4.49Å; V134-L148 HydrophobicContact CG2-CD1 4.33Å; L148-L156 HydrophobicContact CB-CD1 3.98Å; L148-L156 HydrophobicContact CD2-CD1 4.22Å; L148-L156 HydrophobicContact CD2-CD2 4.49Å; L148-L156 HydrophobicContact CG-CD1 4.23Å; L148-L156 VanDerWaalsContact O-CD1 3.24Å; L148-L156 WeakPolarHBondContact O-CD1 3.45Å; L148-L160 HydrophobicContact CD2-CD2 4.16Å; L148-F162 HydrophobicContact CB-CD1 4.16Å; L148-F162 HydrophobicContact CB-CE1 4.05Å; L148-F162 HydrophobicContact CB-CE2 4.45Å; L148-F162 HydrophobicContact CB-CG 4.41Å; L148-F162 HydrophobicContact CB-CZ 4.2Å; L148-I170 HydrophobicContact CB-CD1 4.24Å; L148-I170 HydrophobicContact CB-CG2 4.39Å; L148-I170 HydrophobicContact CD1-CD1 4.18Å; L148-I170 HydrophobicContact CD1-CG2 4.5Å; L148-I172 HydrophobicContact CD2-CD1 4.12Å; L148-I172 HydrophobicContact CD2-CG1 4.11Å; L148-L184 HydrophobicContact CD1-CB 4.19Å; L148-L184 HydrophobicContact CD2-CD1 4.08Å; L148-L184 HydrophobicContact CD2-CD2 3.79Å; L148-L184 HydrophobicContact CD2-CG 4.38Å; L148-L184 HydrophobicContact CG-CB 4.44Å; L148-L184 HydrophobicContact CG-CD2 4.15Å
149	T	94.1	Very high	92	Very high	44 Å²	44	66.2 Å²	66.2	27%	0.27	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	150.5	176.2	55.2	0	0	0	0	110.5	L184 H185	T149-L184 CarbonylContact O-C 3.57Å; T149-L184 WeakPolarHBondContact O-CA 3.41Å; T149-H185 PolarHBondContact N-O 2.87Å; T149-H185 PolarHBondContact O-N 2.95Å; T149-H185 PolarHBondContact OG1-O 2.8Å
150	G	93.1	Very high	91.9	Very high	15 Å²	15	66.9 Å²	66.9	16%	0.155	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	159.4	173.9	0	0	0	0	0	112.6	K154	G150-K154 VanDerWaalsContact CA-O 3.32Å; G150-K154 WeakPolarHBondContact CA-O 3.37Å
151	C	92.2	Very high	92	Very high	8 Å²	8	70.1 Å²	70.1	5%	0.054	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-72.1	150.2	172.7	-61.3	0	0	0	0	111.9	G153 K154 C183 L184	C151-G153 PolarHBondContact O-N 3.47Å; C151-G153 VanDerWaalsContact O-N 3.12Å; C151-K154 WeakPolarHBondContact O-CB 3.49Å; C151-K154 PolarHBondContact O-N 2.79Å; C151-C183 HydrophobicContact CB-CB 3.59Å; C151-C183 WeakPolarHBondContact CB-SG 3.43Å; C151-C183 PolarHBondContact N-O 3.1Å; C151-C183 WeakPolarHBondContact SG-CB 3.31Å; C151-C183 CovalentContact SG-SG 2.03Å; C151-C183 PolarHBondContact SG-SG 2.61Å; C151-L184 PolarHBondContact SG-N 2.96Å
152	E	88.1	Confident	92.2	Very high	168 Å²	168	72 Å²	72	79%	0.785	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	56.9	30.4	169.3	-58.8	171	-176.9	0	0	114.1	K154	E152-K154 PolarHBondContact O-N 2.82Å
153	G	81.9	Confident	92.4	Very high	76 Å²	76	68.8 Å²	68.8	78%	0.784	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	76.1	3.6	179.5	0	0	0	0	0	114.9	C151	C151-G153 PolarHBondContact O-N 3.47Å; C151-G153 VanDerWaalsContact O-N 3.12Å
154	K	87.1	Confident	92.6	Very high	142 Å²	142	69.4 Å²	69.4	62%	0.617	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-69.2	134.3	173.6	-67	-179.6	-179.5	174.2	0	110	G150 C151 E152	G150-K154 VanDerWaalsContact CA-O 3.32Å; G150-K154 WeakPolarHBondContact CA-O 3.37Å; C151-K154 WeakPolarHBondContact O-CB 3.49Å; C151-K154 PolarHBondContact O-N 2.79Å; E152-K154 PolarHBondContact O-N 2.82Å
155	P	90.2	Very high	92.8	Very high	118 Å²	118	68.4 Å²	68.4	77%	0.766	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-68.2	153.8	175.2	29.8	-34.3	0	0	0	110.6
156	L	93.3	Very high	92.9	Very high	39 Å²	39	65.5 Å²	65.5	20%	0.204	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-67.9	151.7	168.4	-64.5	178.7	0	0	0	110.3	L148 K158 F162 L184	L148-L156 HydrophobicContact CB-CD1 3.98Å; L148-L156 HydrophobicContact CD2-CD1 4.22Å; L148-L156 HydrophobicContact CD2-CD2 4.49Å; L148-L156 HydrophobicContact CG-CD1 4.23Å; L148-L156 VanDerWaalsContact O-CD1 3.24Å; L148-L156 WeakPolarHBondContact O-CD1 3.45Å; L156-K158 PolarHBondContact O-N 3.14Å; L156-F162 HydrophobicContact CD1-CE1 4.25Å; L156-L184 HydrophobicContact CD2-CD2 3.32Å
157	P	93.1	Very high	92.8	Very high	39 Å²	39	67.7 Å²	67.7	25%	0.253	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-53.1	138.6	169.8	-23.3	33.2	0	0	0	111.1	D159 L160 Y179 L182	P157-D159 WeakPolarHBondContact CB-OD1 3.41Å; P157-D159 PolarHBondContact O-N 3.05Å; P157-L160 HydrophobicContact CB-CB 4.22Å; P157-L160 HydrophobicContact CG-CD1 4.5Å; P157-L160 WeakPolarHBondContact O-CB 3.24Å; P157-L160 PolarHBondContact O-N 2.92Å; P157-L160 VanDerWaalsContact O-N 3.12Å; P157-Y179 HydrophobicContact CB-CD1 4.44Å; P157-Y179 HydrophobicContact CB-CE1 3.9Å; P157-Y179 HydrophobicContact CG-CD1 4.07Å; P157-Y179 HydrophobicContact CG-CE1 4.02Å; P157-L182 HydrophobicContact CG-CD1 4.42Å; P157-L182 HydrophobicContact CG-CD2 4.01Å
158	K	90.2	Very high	92.7	Very high	218 Å²	218	68.4 Å²	68.4	95%	0.948	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-25.8	-171.7	-68.5	-176.9	179.2	177.6	0	113.6	L156	L156-K158 PolarHBondContact O-N 3.14Å
159	D	92.9	Very high	92.7	Very high	61 Å²	61	68 Å²	68	33%	0.326	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-4.4	-178.4	63.7	-42.5	0	0	0	113.2	P157 T161 K176 Y179	P157-D159 WeakPolarHBondContact CB-OD1 3.41Å; P157-D159 PolarHBondContact O-N 3.05Å; D159-T161 PolarHBondContact O-N 2.95Å; D159-K176 WeakPolarHBondContact OD2-CD 3.35Å; D159-K176 WeakPolarHBondContact OD2-CE 3.49Å; D159-K176 IonicContact OD2-NZ 2.75Å; D159-K176 PolarHBondContact OD2-NZ 2.75Å; D159-Y179 PolarHBondContact O-OH 3.21Å; D159-Y179 PolarHBondContact OD2-OH 3.16Å; D159-Y179 VanDerWaalsContact OD2-OH 3.1Å
160	L	94.9	Very high	92.9	Very high	15 Å²	15	65.9 Å²	65.9	8%	0.079	37%	0.371	C	S	.	.			trans	-74.2	117	176.5	-169.7	156.6	0	0	0	109.6	L148 P157 F162 I172 Y179 L182	L148-L160 HydrophobicContact CD2-CD2 4.16Å; P157-L160 HydrophobicContact CB-CB 4.22Å; P157-L160 HydrophobicContact CG-CD1 4.5Å; P157-L160 WeakPolarHBondContact O-CB 3.24Å; P157-L160 PolarHBondContact O-N 2.92Å; P157-L160 VanDerWaalsContact O-N 3.12Å; L160-F162 HydrophobicContact CD2-CB 4.49Å; L160-F162 HydrophobicContact CD2-CD1 3.79Å; L160-I172 HydrophobicContact CD1-CG2 4.41Å; L160-I172 HydrophobicContact CD2-CG2 4.31Å; L160-I172 HydrophobicContact CG-CG2 4.14Å; L160-Y179 WeakPolarHBondContact CA-OH 3.28Å; L160-Y179 HydrophobicContact CB-CE1 4.41Å; L160-Y179 HydrophobicContact CB-CE2 4.5Å; L160-Y179 HydrophobicContact CD1-CD2 4.4Å; L160-Y179 HydrophobicContact CD1-CE2 4.35Å; L160-Y179 HydrophobicContact CG-CE2 4.28Å; L160-Y179 PolarHBondContact N-OH 2.93Å; L160-L182 HydrophobicContact CD1-CD2 3.65Å
161	T	95.6	Very high	93.1	Very high	85 Å²	85	66.8 Å²	66.8	52%	0.521	37%	0.373	S	S	.	.			trans	-111.8	146.1	175.2	56.4	0	0	0	0	110.3	D159 R173	D159-T161 PolarHBondContact O-N 2.95Å; T161-R173 PolarHBondContact O-N 3.11Å
162	F	96.5	Very high	93.3	Very high	72 Å²	72	66.4 Å²	66.4	32%	0.316	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	157.1	-178	61.2	-95.7	0	0	0	112.4	L148 L156 L160 I170 T171	L148-F162 HydrophobicContact CB-CD1 4.16Å; L148-F162 HydrophobicContact CB-CE1 4.05Å; L148-F162 HydrophobicContact CB-CE2 4.45Å; L148-F162 HydrophobicContact CB-CG 4.41Å; L148-F162 HydrophobicContact CB-CZ 4.2Å; L156-F162 HydrophobicContact CD1-CE1 4.25Å; L160-F162 HydrophobicContact CD2-CB 4.49Å; L160-F162 HydrophobicContact CD2-CD1 3.79Å; F162-I170 HydrophobicContact CB-CG2 3.69Å; F162-I170 HydrophobicContact CD2-CG2 3.6Å; F162-I170 HydrophobicContact CG-CG2 3.86Å; F162-T171 CarbonylContact C-O 3.55Å; F162-T171 WeakPolarHBondContact CA-O 3.4Å; F162-T171 WeakPolarHBondContact CB-O 3.17Å
163	V	96.5	Very high	93.7	Very high	69 Å²	69	63.3 Å²	63.3	42%	0.418	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	123.9	175.1	-179.7	0	0	0	0	108.5	T171 R173	V163-T171 PolarHBondContact N-O 2.81Å; V163-T171 PolarHBondContact O-N 3.23Å; V163-R173 HydrophobicContact CG2-CG 4.43Å
164	A	96	Very high	94.2	Very high	38 Å²	38	63.7 Å²	63.7	31%	0.314	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	135.2	-178.3	0	0	0	0	0	111.3	Y146 I170	Y146-A164 HydrophobicContact CD1-CB 3.7Å; Y146-A164 HydrophobicContact CE1-CB 4.03Å; Y146-A164 HydrophobicContact CG-CB 4.3Å; A164-I170 HydrophobicContact CB-CG1 4.15Å
165	D	95.1	Very high	94.6	Very high	70 Å²	70	56.9 Å²	56.9	37%	0.374	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	112.2	173.5	174.5	4.1	0	0	0	108.9	K167 A168 G169	D165-K167 PolarHBondContact O-N 2.97Å; D165-K167 WeakPolarHBondContact OD1-CB 3.48Å; D165-K167 PolarHBondContact OD1-N 2.92Å; D165-A168 HydrophobicContact CB-CB 4.23Å; D165-A168 PolarHBondContact O-N 2.71Å; D165-G169 CarbonylContact C-O 3.58Å; D165-G169 PolarHBondContact N-O 2.92Å; D165-G169 PolarHBondContact O-N 3.36Å
166	P	94.8	Very high	94.8	Very high	46 Å²	46	54.7 Å²	54.7	30%	0.299	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-29.9	179.3	-28.9	36.5	0	0	0	114.5	F110 P137 L138 Y146	F110-P166 HydrophobicContact CZ-CB 4.39Å; P137-P166 WeakPolarHBondContact CA-O 3.29Å; P137-P166 WeakPolarHBondContact CB-O 3.22Å; L138-P166 HydrophobicContact CB-CB 4.44Å; L138-P166 HydrophobicContact CD1-CB 3.96Å; L138-P166 HydrophobicContact CD1-CG 4.31Å; L138-P166 PolarHBondContact N-O 2.7Å; Y146-P166 HydrophobicContact CD1-CG 4.45Å
167	K	94.2	Very high	94.8	Very high	73 Å²	73	56 Å²	56	32%	0.317	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-20.5	-177	-64.9	179.6	-177.8	173.1	0	113.9	E45 Y108 F110 D165	E45-K167 WeakPolarHBondContact OE1-CE 2.99Å; E45-K167 IonicContact OE1-NZ 3.13Å; E45-K167 PolarHBondContact OE1-NZ 3.2Å; Y108-K167 HydrophobicContact CD1-CG 4.14Å; Y108-K167 HydrophobicContact CD2-CB 4.19Å; Y108-K167 HydrophobicContact CD2-CD 3.83Å; Y108-K167 HydrophobicContact CD2-CG 3.93Å; Y108-K167 HydrophobicContact CE1-CB 4.43Å; Y108-K167 HydrophobicContact CE1-CG 4.06Å; Y108-K167 HydrophobicContact CE2-CB 3.65Å; Y108-K167 HydrophobicContact CE2-CD 4.17Å; Y108-K167 HydrophobicContact CE2-CG 3.83Å; Y108-K167 HydrophobicContact CG-CD 3.99Å; Y108-K167 HydrophobicContact CG-CG 4.08Å; Y108-K167 WeakPolarHBondContact OH-CA 3.33Å; Y108-K167 PolarHBondContact OH-O 3.04Å; F110-K167 HydrophobicContact CZ-CG 3.87Å; D165-K167 PolarHBondContact O-N 2.97Å; D165-K167 WeakPolarHBondContact OD1-CB 3.48Å; D165-K167 PolarHBondContact OD1-N 2.92Å
168	A	93	Very high	94.7	Very high	32 Å²	32	61.5 Å²	61.5	26%	0.264	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.7	-44	-172.4	0	0	0	0	0	113.7	L133 P137 D165	L133-A168 HydrophobicContact CD1-CB 4.31Å; L133-A168 HydrophobicContact CD2-CB 4.3Å; P137-A168 WeakPolarHBondContact CD-O 3.35Å; D165-A168 HydrophobicContact CB-CB 4.23Å; D165-A168 PolarHBondContact O-N 2.71Å
169	G	94.7	Very high	94.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	141	-153	-166.8	0	0	0	0	0	113.5	V134 Y146 D165	V134-G169 CarbonylContact O-C 3.54Å; V134-G169 WeakPolarHBondContact O-CA 3.45Å; Y146-G169 WeakPolarHBondContact OH-CA 3.37Å; Y146-G169 PolarHBondContact OH-O 2.81Å; D165-G169 CarbonylContact C-O 3.58Å; D165-G169 PolarHBondContact N-O 2.92Å; D165-G169 PolarHBondContact O-N 3.36Å
170	I	96.6	Very high	95	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	116.4	174.8	-59.1	177.8	0	0	0	108.9	V134 Y146 S147 L148 F162 A164 I172 C186	V134-I170 WeakPolarHBondContact CA-O 3.34Å; V134-I170 HydrophobicContact CB-CB 4.43Å; V134-I170 VanDerWaalsContact CB-O 3.31Å; V134-I170 WeakPolarHBondContact CB-O 3.4Å; V134-I170 WeakPolarHBondContact CG2-O 3.19Å; V134-I170 PolarHBondContact N-O 2.74Å; V134-I170 PolarHBondContact O-N 3.18Å; Y146-I170 HydrophobicContact CD2-CD1 4.18Å; Y146-I170 HydrophobicContact CE1-CG1 4.1Å; Y146-I170 HydrophobicContact CE2-CD1 3.74Å; Y146-I170 HydrophobicContact CE2-CG1 3.84Å; S147-I170 WeakPolarHBondContact O-CD1 3.35Å; L148-I170 HydrophobicContact CB-CD1 4.24Å; L148-I170 HydrophobicContact CB-CG2 4.39Å; L148-I170 HydrophobicContact CD1-CD1 4.18Å; L148-I170 HydrophobicContact CD1-CG2 4.5Å; F162-I170 HydrophobicContact CB-CG2 3.69Å; F162-I170 HydrophobicContact CD2-CG2 3.6Å; F162-I170 HydrophobicContact CG-CG2 3.86Å; A164-I170 HydrophobicContact CB-CG1 4.15Å; I170-I172 PolarHBondContact O-N 3.46Å; I170-C186 HydrophobicContact CD1-CB 4.2Å
171	T	97.5	Very high	94.9	Very high	33 Å²	33	57.2 Å²	57.2	20%	0.202	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	111.7	178.1	-59.2	0	0	0	0	109.9	D131 L133 F162 V163	D131-T171 HydrophobicContact CB-CG2 3.91Å; L133-T171 WeakPolarHBondContact CD1-OG1 3.48Å; F162-T171 CarbonylContact C-O 3.55Å; F162-T171 WeakPolarHBondContact CA-O 3.4Å; F162-T171 WeakPolarHBondContact CB-O 3.17Å; V163-T171 PolarHBondContact N-O 2.81Å; V163-T171 PolarHBondContact O-N 3.23Å
172	I	96.9	Very high	94.9	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	124.2	168.5	-59.3	170.9	0	0	0	107.5	D131 T132 V134 L148 L160 I170 V175 L184 L202	D131-I172 WeakPolarHBondContact CA-O 3.19Å; T132-I172 PolarHBondContact N-O 3.1Å; T132-I172 PolarHBondContact O-N 2.92Å; V134-I172 HydrophobicContact CG2-CD1 3.63Å; V134-I172 HydrophobicContact CG2-CG1 3.93Å; L148-I172 HydrophobicContact CD2-CD1 4.12Å; L148-I172 HydrophobicContact CD2-CG1 4.11Å; L160-I172 HydrophobicContact CD1-CG2 4.41Å; L160-I172 HydrophobicContact CD2-CG2 4.31Å; L160-I172 HydrophobicContact CG-CG2 4.14Å; I170-I172 PolarHBondContact O-N 3.46Å; I172-V175 HydrophobicContact CB-CG2 4.34Å; I172-V175 HydrophobicContact CG2-CG2 3.96Å; I172-L184 HydrophobicContact CD1-CD1 3.63Å; I172-L202 HydrophobicContact CD1-CD2 4.36Å
173	R	96.6	Very high	94.8	Very high	104 Å²	104	53.1 Å²	53.1	39%	0.392	26%	0.264	S	S	.	.			trans	-86.3	141.8	-178.9	-61.7	-65.9	-173	171.5	0.6	110.8	D131 T161 V163 V175	D131-R173 VanDerWaalsContact OD1-CA 3.23Å; D131-R173 WeakPolarHBondContact OD1-CA 3.37Å; D131-R173 WeakPolarHBondContact OD2-CD 3.46Å; D131-R173 IonicContact OD2-CZ 3.67Å; D131-R173 IonicContact OD2-NE 3.37Å; D131-R173 IonicContact OD2-NH1 2.79Å; D131-R173 PolarHBondContact OD2-NH1 3.29Å; T161-R173 PolarHBondContact O-N 3.11Å; V163-R173 HydrophobicContact CG2-CG 4.43Å; R173-V175 PolarHBondContact O-N 3.38Å
174	N	93.5	Very high	94.8	Very high	83 Å²	83	49.8 Å²	49.8	44%	0.444	24%	0.244	S	C	.	.	S	Bend	trans	47.2	64.5	170.7	-170.1	22.5	0	0	0	112.7	E129 D131 K176	E129-N174 WeakPolarHBondContact CA-OD1 3.45Å; D131-N174 PolarHBondContact OD1-N 3.19Å; N174-K176 PolarHBondContact O-N 3.48Å
175	V	95.3	Very high	94.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.236	C	C	.	.			trans	-58.4	133.3	-174.9	170.3	0	0	0	0	110.9	E128 E129 N130 T132 I172 R173 Y179 L202 V204	E128-V175 CarbonylContact C-O 3.59Å; E128-V175 VanDerWaalsContact CA-O 3.27Å; E128-V175 WeakPolarHBondContact CA-O 3.42Å; E129-V175 PolarHBondContact N-O 3.47Å; N130-V175 WeakPolarHBondContact O-CB 3.22Å; N130-V175 WeakPolarHBondContact O-CG2 3.46Å; N130-V175 PolarHBondContact O-N 3.45Å; T132-V175 WeakPolarHBondContact OG1-CG2 3.29Å; I172-V175 HydrophobicContact CB-CG2 4.34Å; I172-V175 HydrophobicContact CG2-CG2 3.96Å; R173-V175 PolarHBondContact O-N 3.38Å; V175-Y179 HydrophobicContact CG1-CD2 4.3Å; V175-L202 HydrophobicContact CG1-CD2 4.15Å; V175-V204 HydrophobicContact CG1-CB 4.36Å; V175-V204 HydrophobicContact CG1-CG1 3.91Å; V175-V204 HydrophobicContact CG1-CG2 3.55Å
176	K	94.3	Very high	94.8	Very high	71 Å²	71	46.3 Å²	46.3	31%	0.309	22%	0.219	S	C	.	.			trans	-105.9	156.3	178.7	-60.3	-174.9	-179.8	-179.8	0	111.7	D159 N174 E178 Y179	D159-K176 WeakPolarHBondContact OD2-CD 3.35Å; D159-K176 WeakPolarHBondContact OD2-CE 3.49Å; D159-K176 IonicContact OD2-NZ 2.75Å; D159-K176 PolarHBondContact OD2-NZ 2.75Å; N174-K176 PolarHBondContact O-N 3.48Å; K176-E178 PolarHBondContact O-N 2.81Å; K176-Y179 HydrophobicContact CB-CD1 4.42Å; K176-Y179 HydrophobicContact CB-CD2 4.12Å; K176-Y179 HydrophobicContact CB-CE1 4.26Å; K176-Y179 HydrophobicContact CB-CE2 3.95Å; K176-Y179 HydrophobicContact CB-CG 4.34Å; K176-Y179 HydrophobicContact CD-CE1 4.46Å; K176-Y179 HydrophobicContact CG-CE2 4.01Å; K176-Y179 VanDerWaalsContact N-CD2 3.32Å; K176-Y179 WeakPolarHBondContact O-CB 3.48Å; K176-Y179 PolarHBondContact O-N 2.9Å
177	R	91.9	Very high	94.8	Very high	68 Å²	68	44.4 Å²	44.4	26%	0.257	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-57.7	-33.9	174.1	-69.9	-174.9	-171.5	-179.4	3	112.8	E128 Y179 H180 A207 F268	E128-R177 VanDerWaalsContact CD-CG 3.46Å; E128-R177 VanDerWaalsContact CD-NE 3.35Å; E128-R177 HydrophobicContact CG-CG 3.94Å; E128-R177 IonicContact OE1-NE 2.69Å; E128-R177 PolarHBondContact OE1-NE 3.5Å; E128-R177 WeakPolarHBondContact OE2-CG 3.3Å; E128-R177 IonicContact OE2-CZ 3.71Å; E128-R177 IonicContact OE2-NE 3.27Å; E128-R177 PolarHBondContact OE2-NE 3.33Å; E128-R177 IonicContact OE2-NH2 3.57Å; E128-R177 PolarHBondContact OE2-NH2 3.07Å; R177-Y179 PolarHBondContact O-N 2.81Å; R177-Y179 VanDerWaalsContact O-N 3.11Å; R177-H180 WeakPolarHBondContact O-CB 3.38Å; R177-H180 PolarHBondContact O-N 3.4Å; R177-A207 PolarHBondContact NH2-O 3.24Å; R177-F268 HydrophobicContact CB-CD2 4.33Å; R177-F268 HydrophobicContact CB-CE2 3.79Å; R177-F268 HydrophobicContact CB-CZ 4.04Å; R177-F268 HydrophobicContact CG-CD2 4.44Å; R177-F268 HydrophobicContact CG-CE1 4.33Å; R177-F268 HydrophobicContact CG-CE2 4.1Å; R177-F268 HydrophobicContact CG-CZ 4.02Å
178	E	92.5	Very high	94.8	Very high	154 Å²	154	41 Å²	41	72%	0.72	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-59.2	-20.6	176.3	-64.9	170.8	-150.2	0	0	113.1	K176 H180	K176-E178 PolarHBondContact O-N 2.81Å; E178-H180 VanDerWaalsContact C-N 3.28Å
179	Y	94.3	Very high	94.8	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-86.6	3.3	176.5	-47.4	-23.9	0	0	0	112.7	P157 D159 L160 V175 K176 R177 R181 L182	P157-Y179 HydrophobicContact CB-CD1 4.44Å; P157-Y179 HydrophobicContact CB-CE1 3.9Å; P157-Y179 HydrophobicContact CG-CD1 4.07Å; P157-Y179 HydrophobicContact CG-CE1 4.02Å; D159-Y179 PolarHBondContact O-OH 3.21Å; D159-Y179 PolarHBondContact OD2-OH 3.16Å; D159-Y179 VanDerWaalsContact OD2-OH 3.1Å; L160-Y179 WeakPolarHBondContact CA-OH 3.28Å; L160-Y179 HydrophobicContact CB-CE1 4.41Å; L160-Y179 HydrophobicContact CB-CE2 4.5Å; L160-Y179 HydrophobicContact CD1-CD2 4.4Å; L160-Y179 HydrophobicContact CD1-CE2 4.35Å; L160-Y179 HydrophobicContact CG-CE2 4.28Å; L160-Y179 PolarHBondContact N-OH 2.93Å; V175-Y179 HydrophobicContact CG1-CD2 4.3Å; K176-Y179 HydrophobicContact CB-CD1 4.42Å; K176-Y179 HydrophobicContact CB-CD2 4.12Å; K176-Y179 HydrophobicContact CB-CE1 4.26Å; K176-Y179 HydrophobicContact CB-CE2 3.95Å; K176-Y179 HydrophobicContact CB-CG 4.34Å; K176-Y179 HydrophobicContact CD-CE1 4.46Å; K176-Y179 HydrophobicContact CG-CE2 4.01Å; K176-Y179 VanDerWaalsContact N-CD2 3.32Å; K176-Y179 WeakPolarHBondContact O-CB 3.48Å; K176-Y179 PolarHBondContact O-N 2.9Å; R177-Y179 PolarHBondContact O-N 2.81Å; R177-Y179 VanDerWaalsContact O-N 3.11Å; Y179-R181 PolarHBondContact O-N 2.76Å; Y179-L182 HydrophobicContact CG-CD2 4.46Å; Y179-L182 WeakPolarHBondContact O-CB 3.48Å; Y179-L182 PolarHBondContact O-N 2.79Å
180	H	95.1	Very high	94.5	Very high	43 Å²	43	42.9 Å²	42.9	20%	0.199	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	129.5	175.9	-168.6	83	0	0	0	110.5	R177 E178 L182 V204 D267 F268	R177-H180 WeakPolarHBondContact O-CB 3.38Å; R177-H180 PolarHBondContact O-N 3.4Å; E178-H180 VanDerWaalsContact C-N 3.28Å; H180-L182 PolarHBondContact O-N 3.35Å; H180-V204 HydrophobicContact CB-CB 4.12Å; H180-V204 HydrophobicContact CB-CG2 4.26Å; H180-V204 PolarHBondContact ND1-N 3.12Å; H180-V204 VanDerWaalsContact ND1-N 3.12Å; H180-V204 PolarHBondContact ND1-O 2.94Å; H180-D267 VanDerWaalsContact CD2-CG 3.44Å; H180-D267 IonicContact CD2-OD1 3.84Å; H180-D267 IonicContact CD2-OD2 2.66Å; H180-D267 PolarHBondContact CD2-OD2 3.09Å; H180-D267 VanDerWaalsContact CD2-OD2 3.27Å; H180-D267 IonicContact NE2-OD1 2.87Å; H180-D267 PolarHBondContact NE2-OD1 3.36Å; H180-D267 IonicContact NE2-OD2 2.74Å; H180-F268 HydrophobicContact CB-CE2 3.75Å; H180-F268 HydrophobicContact CB-CZ 3.71Å; H180-F268 AromaticContact CG-CE2 3.94Å; H180-F268 AromaticContact CG-CZ 3.71Å; H180-F268 AromaticContact ND1-CZ 3.63Å
181	R	93.1	Very high	94	Very high	160 Å²	160	54.3 Å²	54.3	60%	0.604	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.6	14.5	-172.7	-59.7	165.9	-171.6	-144.9	8.4	114.6	Y179 C183 L202 D267	Y179-R181 PolarHBondContact O-N 2.76Å; R181-C183 PolarHBondContact O-N 2.88Å; R181-L202 WeakPolarHBondContact CA-O 3.33Å; R181-L202 PolarHBondContact N-O 3.25Å; R181-D267 IonicContact CZ-OD1 2.68Å; R181-D267 IonicContact CZ-OD2 3.36Å; R181-D267 IonicContact NE-OD1 2.88Å; R181-D267 PolarHBondContact NE-OD1 3Å; R181-D267 IonicContact NE-OD2 3.34Å; R181-D267 PolarHBondContact NE-OD2 3.3Å; R181-D267 IonicContact NH2-OD1 3.81Å; R181-D267 PolarHBondContact NH2-OD1 3.46Å; R181-D267 IonicContact NH2-OD2 3.71Å
182	L	94.3	Very high	93.3	Very high	37 Å²	37	56.6 Å²	56.6	19%	0.194	27%	0.269	C	S	.	.			trans	-62.2	127.5	173.3	-177.2	63	0	0	0	110.2	P157 L160 Y179 H180 L184 L202	P157-L182 HydrophobicContact CG-CD1 4.42Å; P157-L182 HydrophobicContact CG-CD2 4.01Å; L160-L182 HydrophobicContact CD1-CD2 3.65Å; Y179-L182 HydrophobicContact CG-CD2 4.46Å; Y179-L182 WeakPolarHBondContact O-CB 3.48Å; Y179-L182 PolarHBondContact O-N 2.79Å; H180-L182 PolarHBondContact O-N 3.35Å; L182-L184 HydrophobicContact CD2-CD2 3.77Å; L182-L184 HydrophobicContact CD2-CG 4.41Å; L182-L184 HydrophobicContact CG-CD2 3.81Å; L182-L184 HydrophobicContact CG-CG 4.16Å; L182-L202 PolarHBondContact O-N 2.76Å
183	C	95.6	Very high	92.8	Very high	33 Å²	33	63.4 Å²	63.4	22%	0.223	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	128.2	179.4	-170.2	0	0	0	0	110.8	C151 R181 F200	C151-C183 HydrophobicContact CB-CB 3.59Å; C151-C183 WeakPolarHBondContact CB-SG 3.43Å; C151-C183 PolarHBondContact N-O 3.1Å; C151-C183 WeakPolarHBondContact SG-CB 3.31Å; C151-C183 CovalentContact SG-SG 2.03Å; C151-C183 PolarHBondContact SG-SG 2.61Å; R181-C183 PolarHBondContact O-N 2.88Å; C183-F200 CarbonylContact C-O 3.57Å; C183-F200 VanDerWaalsContact CA-O 3.31Å; C183-F200 WeakPolarHBondContact CA-O 3.46Å
184	L	95.4	Very high	92.5	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	151.6	-169.5	-56.9	167.3	0	0	0	112	L124 L148 T149 C151 L156 I172 L182 K199 F200	L124-L184 HydrophobicContact CD2-CD1 4.36Å; L148-L184 HydrophobicContact CD1-CB 4.19Å; L148-L184 HydrophobicContact CD2-CD1 4.08Å; L148-L184 HydrophobicContact CD2-CD2 3.79Å; L148-L184 HydrophobicContact CD2-CG 4.38Å; L148-L184 HydrophobicContact CG-CB 4.44Å; L148-L184 HydrophobicContact CG-CD2 4.15Å; T149-L184 CarbonylContact O-C 3.57Å; T149-L184 WeakPolarHBondContact O-CA 3.41Å; C151-L184 PolarHBondContact SG-N 2.96Å; L156-L184 HydrophobicContact CD2-CD2 3.32Å; I172-L184 HydrophobicContact CD1-CD1 3.63Å; L182-L184 HydrophobicContact CD2-CD2 3.77Å; L182-L184 HydrophobicContact CD2-CG 4.41Å; L182-L184 HydrophobicContact CG-CD2 3.81Å; L182-L184 HydrophobicContact CG-CG 4.16Å; L184-K199 CarbonylContact O-C 3.58Å; L184-K199 WeakPolarHBondContact O-CA 3.37Å; L184-F200 HydrophobicContact CB-CB 4.38Å; L184-F200 PolarHBondContact N-O 3.03Å; L184-F200 PolarHBondContact O-N 3.26Å
185	H	95.5	Very high	92.4	Very high	35 Å²	35	59.9 Å²	59.9	16%	0.162	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	144.1	164.9	-73.8	-86.7	0	0	0	109.5	T149 L196 S197 K199	T149-H185 PolarHBondContact N-O 2.87Å; T149-H185 PolarHBondContact O-N 2.95Å; T149-H185 PolarHBondContact OG1-O 2.8Å; H185-L196 HydrophobicContact CB-CD2 4.29Å; H185-S197 PolarHBondContact CE1-O 3.08Å; H185-S197 PolarHBondContact ND1-O 3.1Å; H185-K199 PolarHBondContact CE1-N 2.97Å
186	C	95.8	Very high	92.3	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	137.9	160.5	-56.4	0	0	0	0	108.7	F118 C136 Y146 I170 L196 S197	F118-C186 HydrophobicContact CD1-CB 4.16Å; F118-C186 HydrophobicContact CE1-CB 3.92Å; F118-C186 HydrophobicContact CZ-CB 4.46Å; C136-C186 HydrophobicContact CB-CB 3.73Å; C136-C186 WeakPolarHBondContact CB-SG 3.46Å; C136-C186 WeakPolarHBondContact SG-CB 3.29Å; C136-C186 CovalentContact SG-SG 2.03Å; C136-C186 PolarHBondContact SG-SG 3.2Å; Y146-C186 HydrophobicContact CE2-CB 4.25Å; I170-C186 HydrophobicContact CD1-CB 4.2Å; C186-L196 CarbonylContact O-C 3.54Å; C186-L196 WeakPolarHBondContact O-CA 3.44Å; C186-S197 PolarHBondContact N-OG 2.97Å; C186-S197 PolarHBondContact O-N 3.08Å
187	S	94.8	Very high	92.3	Very high	6 Å²	6	61.8 Å²	61.8	4%	0.042	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	138.8	-175.7	-179.8	0	0	0	0	109.8	Y146 S147 S194 M195	Y146-S187 CarbonylContact C-O 3.08Å; Y146-S187 WeakPolarHBondContact CA-O 3.17Å; S147-S187 PolarHBondContact N-O 2.94Å; S147-S187 PolarHBondContact O-N 2.96Å; S187-S194 PolarHBondContact OG-OG 2.94Å; S187-M195 WeakPolarHBondContact CA-O 3.44Å
188	A	95.1	Very high	92.4	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	148	173.7	0	0	0	0	0	109.7	L117 F118 L138 V143 Y146 M195	L117-A188 HydrophobicContact CD2-CB 4.01Å; F118-A188 HydrophobicContact CE1-CB 4.18Å; F118-A188 HydrophobicContact CZ-CB 3.76Å; L138-A188 HydrophobicContact CD2-CB 4.25Å; V143-A188 HydrophobicContact CB-CB 4.29Å; V143-A188 HydrophobicContact CG2-CB 4.03Å; Y146-A188 HydrophobicContact CD2-CB 4.3Å; A188-M195 PolarHBondContact N-O 2.79Å; A188-M195 VanDerWaalsContact N-O 3.09Å; A188-M195 PolarHBondContact O-N 2.81Å
189	N	93	Very high	92.4	Very high	45 Å²	45	64.6 Å²	64.6	24%	0.241	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	111.7	180	-72.1	-18.7	0	0	0	110.2	T144 K193 S194	T144-N189 PolarHBondContact N-O 3.34Å; T144-N189 WeakPolarHBondContact O-CB 3.41Å; T144-N189 PolarHBondContact O-N 3.31Å; T144-N189 VanDerWaalsContact OG1-CB 3.31Å; T144-N189 WeakPolarHBondContact OG1-CB 3.38Å; T144-N189 PolarHBondContact OG1-O 3.49Å; N189-K193 WeakPolarHBondContact CA-O 3.23Å; N189-S194 VanDerWaalsContact OD1-CA 3.27Å; N189-S194 WeakPolarHBondContact OD1-CA 3Å; N189-S194 WeakPolarHBondContact OD1-CB 3.44Å
190	Q	88.3	Confident	92.5	Very high	28 Å²	28	64.6 Å²	64.6	13%	0.131	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	120.8	174.2	-165.8	-176.8	42.8	0	0	108.6	L117 D140 V143 G192 K193 M195	L117-Q190 HydrophobicContact CD2-CB 4.4Å; D140-Q190 PolarHBondContact OD2-NE2 3.22Å; V143-Q190 HydrophobicContact CG1-CB 4.2Å; V143-Q190 HydrophobicContact CG1-CG 4.27Å; Q190-G192 VanDerWaalsContact C-N 3.26Å; Q190-G192 PolarHBondContact O-N 3.08Å; Q190-K193 PolarHBondContact N-O 2.84Å; Q190-K193 PolarHBondContact O-N 2.92Å; Q190-M195 HydrophobicContact CB-CG 4.24Å
191	R	85	Confident	92.5	Very high	240 Å²	240	65.4 Å²	65.4	91%	0.906	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	39.6	-179.8	-57.3	177.8	-176.9	-176	1.4	114	K193	R191-K193 PolarHBondContact O-N 2.83Å
192	G	82.5	Confident	92.6	Very high	80 Å²	80	57.8 Å²	57.8	83%	0.825	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	-2.3	-179.3	0	0	0	0	0	115.4	Q190	Q190-G192 VanDerWaalsContact C-N 3.26Å; Q190-G192 PolarHBondContact O-N 3.08Å
193	K	87.6	Confident	92.7	Very high	143 Å²	143	60.9 Å²	60.9	62%	0.622	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.3	127.4	174.7	-171.2	178.2	177.9	-176.2	0	110.1	N189 Q190 R191 M195	N189-K193 WeakPolarHBondContact CA-O 3.23Å; Q190-K193 PolarHBondContact N-O 2.84Å; Q190-K193 PolarHBondContact O-N 2.92Å; R191-K193 PolarHBondContact O-N 2.83Å; K193-M195 HydrophobicContact CD-SD 4.16Å; K193-M195 HydrophobicContact CG-SD 4.3Å; K193-M195 PolarHBondContact O-N 2.95Å
194	S	88.8	Confident	92.6	Very high	65 Å²	65	59.6 Å²	59.6	46%	0.455	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	119	172.3	175.5	0	0	0	0	109.9	S187 N189	S187-S194 PolarHBondContact OG-OG 2.94Å; N189-S194 VanDerWaalsContact OD1-CA 3.27Å; N189-S194 WeakPolarHBondContact OD1-CA 3Å; N189-S194 WeakPolarHBondContact OD1-CB 3.44Å
195	M	92.7	Very high	92.5	Very high	49 Å²	49	67.8 Å²	67.8	24%	0.241	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	140.3	176.1	-59.4	-63.4	-77.5	0	0	109	L117 F118 S187 A188 Q190 K193	L117-M195 HydrophobicContact CD2-CB 3.76Å; L117-M195 HydrophobicContact CD2-CG 4.12Å; F118-M195 HydrophobicContact CE2-CB 4.36Å; S187-M195 WeakPolarHBondContact CA-O 3.44Å; A188-M195 PolarHBondContact N-O 2.79Å; A188-M195 VanDerWaalsContact N-O 3.09Å; A188-M195 PolarHBondContact O-N 2.81Å; Q190-M195 HydrophobicContact CB-CG 4.24Å; K193-M195 HydrophobicContact CD-SD 4.16Å; K193-M195 HydrophobicContact CG-SD 4.3Å; K193-M195 PolarHBondContact O-N 2.95Å
196	L	93.4	Very high	92.3	Very high	99 Å²	99	67.1 Å²	67.1	52%	0.518	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	142.6	-179.4	-63.5	175.7	0	0	0	110.7	H185 C186	H185-L196 HydrophobicContact CB-CD2 4.29Å; C186-L196 CarbonylContact O-C 3.54Å; C186-L196 WeakPolarHBondContact O-CA 3.44Å
197	S	93.9	Very high	92.1	Very high	11 Å²	11	67.7 Å²	67.7	8%	0.077	34%	0.336	C	S	.	.			trans	-71.9	176.7	171.4	75.1	0	0	0	0	111.8	H185 C186	H185-S197 PolarHBondContact CE1-O 3.08Å; H185-S197 PolarHBondContact ND1-O 3.1Å; C186-S197 PolarHBondContact N-OG 2.97Å; C186-S197 PolarHBondContact O-N 3.08Å
198	K	93.1	Very high	91.9	Very high	152 Å²	152	68.9 Å²	68.9	66%	0.661	34%	0.342	S	S	*	.			trans	-61.1	155.6	159.5	-63	179.8	178.9	176.6	0	110.2	I120 F200	I120-K198 HydrophobicContact CD1-CB 3.59Å; I120-K198 HydrophobicContact CD1-CD 4.3Å; I120-K198 HydrophobicContact CD1-CG 3.83Å; K198-F200 WeakPolarHBondContact O-CD2 3.39Å
199	K	94.1	Very high	91.7	Very high	129 Å²	129	73.5 Å²	73.5	56%	0.561	36%	0.362	S	S	*	.			trans	-70.3	139	179.4	69.3	179.3	-178.8	-179.4	0	111.8	L184 H185	L184-K199 CarbonylContact O-C 3.58Å; L184-K199 WeakPolarHBondContact O-CA 3.37Å; H185-K199 PolarHBondContact CE1-N 2.97Å
200	F	95.6	Very high	91.7	Very high	1 Å²	1	74.1 Å²	74.1	0%	0.004	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	147.2	168.8	-65.4	-96.7	0	0	0	109.5	I120 D121 L122 L124 V134 C136 C183 L184 K198	I120-F200 HydrophobicContact CB-CZ 4.29Å; I120-F200 HydrophobicContact CG1-CZ 4.23Å; I120-F200 HydrophobicContact CG2-CE1 3.78Å; I120-F200 HydrophobicContact CG2-CE2 4.24Å; I120-F200 HydrophobicContact CG2-CZ 3.44Å; I120-F200 VanDerWaalsContact CG2-CZ 3.44Å; D121-F200 WeakPolarHBondContact O-CE1 3.3Å; L122-F200 HydrophobicContact CD2-CB 4.46Å; L122-F200 HydrophobicContact CD2-CD1 3.45Å; L122-F200 VanDerWaalsContact CD2-CD1 3.45Å; L122-F200 HydrophobicContact CD2-CE1 3.92Å; L122-F200 HydrophobicContact CD2-CG 4.09Å; L122-F200 HydrophobicContact CG-CD1 4.37Å; L122-F200 HydrophobicContact CG-CE1 4.38Å; L124-F200 HydrophobicContact CB-CD1 4.32Å; L124-F200 HydrophobicContact CD2-CB 4.1Å; V134-F200 HydrophobicContact CG1-CD1 3.95Å; V134-F200 HydrophobicContact CG1-CD2 3.79Å; V134-F200 HydrophobicContact CG1-CE1 3.97Å; V134-F200 HydrophobicContact CG1-CE2 3.81Å; V134-F200 HydrophobicContact CG1-CG 3.85Å; V134-F200 HydrophobicContact CG1-CZ 3.89Å; C136-F200 HydrophobicContact CB-CE2 4.14Å; C136-F200 HydrophobicContact CB-CZ 3.97Å; C183-F200 CarbonylContact C-O 3.57Å; C183-F200 VanDerWaalsContact CA-O 3.31Å; C183-F200 WeakPolarHBondContact CA-O 3.46Å; L184-F200 HydrophobicContact CB-CB 4.38Å; L184-F200 PolarHBondContact N-O 3.03Å; L184-F200 PolarHBondContact O-N 3.26Å; K198-F200 WeakPolarHBondContact O-CD2 3.39Å
201	T	95.1	Very high	92	Very high	61 Å²	61	76 Å²	76	37%	0.374	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	111.6	171.3	-56.3	0	0	0	0	108.2	K203	T201-K203 PolarHBondContact O-N 2.85Å
202	L	95.2	Very high	92.6	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	118.6	-177.5	176.6	60.3	0	0	0	110.3	L124 T132 I172 V175 R181 L182 V204	L124-L202 HydrophobicContact CD2-CB 3.97Å; L124-L202 HydrophobicContact CD2-CD1 3.94Å; L124-L202 HydrophobicContact CG-CB 4.49Å; L124-L202 HydrophobicContact CG-CD1 3.78Å; T132-L202 HydrophobicContact CG2-CD1 4.14Å; I172-L202 HydrophobicContact CD1-CD2 4.36Å; V175-L202 HydrophobicContact CG1-CD2 4.15Å; R181-L202 WeakPolarHBondContact CA-O 3.33Å; R181-L202 PolarHBondContact N-O 3.25Å; L182-L202 PolarHBondContact O-N 2.76Å; L202-V204 HydrophobicContact CD1-CG2 4.46Å; L202-V204 HydrophobicContact CD2-CG2 4.02Å; L202-V204 HydrophobicContact CG-CG2 3.85Å
203	K	95.5	Very high	93.2	Very high	102 Å²	102	65.5 Å²	65.5	44%	0.443	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	108.3	170.8	-71.4	-175.2	177.6	-176.4	0	109.8	L124 Y125 G126 T201	L124-K203 PolarHBondContact O-N 3.47Å; Y125-K203 WeakPolarHBondContact CA-O 3.03Å; Y125-K203 HydrophobicContact CD1-CB 3.55Å; Y125-K203 HydrophobicContact CD1-CD 4.34Å; Y125-K203 HydrophobicContact CE1-CB 3.68Å; Y125-K203 HydrophobicContact CE1-CD 3.58Å; Y125-K203 HydrophobicContact CE1-CG 4.23Å; G126-K203 PolarHBondContact N-O 3.32Å; T201-K203 PolarHBondContact O-N 2.85Å
204	V	95.1	Very high	93.6	Very high	6 Å²	6	59.9 Å²	59.9	4%	0.036	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	130.7	-179	-176.5	0	0	0	0	110.6	G126 E128 V175 H180 L202 F268	G126-V204 CarbonylContact O-C 3.51Å; G126-V204 VanDerWaalsContact O-CA 3.3Å; G126-V204 WeakPolarHBondContact O-CA 3.45Å; E128-V204 HydrophobicContact CB-CG1 4.29Å; V175-V204 HydrophobicContact CG1-CB 4.36Å; V175-V204 HydrophobicContact CG1-CG1 3.91Å; V175-V204 HydrophobicContact CG1-CG2 3.55Å; H180-V204 HydrophobicContact CB-CB 4.12Å; H180-V204 HydrophobicContact CB-CG2 4.26Å; H180-V204 PolarHBondContact ND1-N 3.12Å; H180-V204 VanDerWaalsContact ND1-N 3.12Å; H180-V204 PolarHBondContact ND1-O 2.94Å; L202-V204 HydrophobicContact CD1-CG2 4.46Å; L202-V204 HydrophobicContact CD2-CG2 4.02Å; L202-V204 HydrophobicContact CG-CG2 3.85Å; V204-F268 HydrophobicContact CB-CZ 4.16Å; V204-F268 HydrophobicContact CG1-CZ 4.36Å; V204-F268 VanDerWaalsContact O-CE1 3.3Å; V204-F268 WeakPolarHBondContact O-CE1 3.31Å
205	R	93.2	Very high	94	Very high	172 Å²	172	59.4 Å²	59.4	65%	0.649	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	125.7	166.7	-65.1	-178	-179	179.5	0	108.8	G126 E128	G126-R205 PolarHBondContact O-N 2.98Å; E128-R205 PolarHBondContact N-O 2.81Å
206	A	90.9	Very high	94.1	Very high	20 Å²	20	58.3 Å²	58.3	17%	0.165	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-63.8	142.3	179.1	0	0	0	0	0	112.1	V238 F268	A206-V238 HydrophobicContact CB-CG2 4.3Å; A206-F268 HydrophobicContact CB-CD1 3.48Å; A206-F268 VanDerWaalsContact CB-CD1 3.48Å; A206-F268 HydrophobicContact CB-CE1 3.84Å; A206-F268 HydrophobicContact CB-CG 4.4Å
207	A	91.4	Very high	94	Very high	13 Å²	13	57.1 Å²	57.1	11%	0.107	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-80.8	128.2	159.9	0	0	0	0	0	107.8	E128 R177 K209	E128-A207 HydrophobicContact CB-CB 4.01Å; E128-A207 HydrophobicContact CG-CB 4.49Å; E128-A207 PolarHBondContact OE2-N 3.36Å; R177-A207 PolarHBondContact NH2-O 3.24Å; A207-K209 PolarHBondContact O-N 2.99Å
208	I	91.1	Very high	93.8	Very high	31 Å²	31	59 Å²	59	16%	0.159	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-76.3	119.6	-179.8	-60.7	172.3	0	0	0	108	V238 N295 T296 F297	I208-V238 HydrophobicContact CG1-CG2 3.97Å; I208-N295 HydrophobicContact CD1-CB 4.31Å; I208-N295 HydrophobicContact CG2-CB 4.19Å; I208-N295 VanDerWaalsContact CG2-CG 3.5Å; I208-N295 VanDerWaalsContact CG2-ND2 3.33Å; I208-N295 WeakPolarHBondContact CG2-ND2 3.29Å; I208-T296 HydrophobicContact CD1-CG2 4.45Å; I208-T296 WeakPolarHBondContact CD1-OG1 3.05Å; I208-F297 HydrophobicContact CG2-CB 3.8Å
209	K	90.7	Very high	93.6	Very high	96 Å²	96	56.4 Å²	56.4	42%	0.417	31%	0.307	S	S	.	.			trans	-121	2.9	-171.8	-66.9	175.3	178.2	178.7	0	113.8	E128 E129 A207 F297	E128-K209 WeakPolarHBondContact OE1-CE 3.49Å; E128-K209 IonicContact OE1-NZ 2.6Å; E128-K209 PolarHBondContact OE1-NZ 3.47Å; E129-K209 WeakPolarHBondContact OE1-CE 3.46Å; E129-K209 IonicContact OE1-NZ 3.77Å; E129-K209 PolarHBondContact OE1-NZ 2.9Å; A207-K209 PolarHBondContact O-N 2.99Å; K209-F297 VanDerWaalsContact C-CD2 3.45Å; K209-F297 VanDerWaalsContact O-CE2 3.27Å; K209-F297 WeakPolarHBondContact O-CE2 3.37Å; K209-F297 WeakPolarHBondContact O-CZ 3.5Å
210	A	93	Very high	93.5	Very high	58 Å²	58	52.2 Å²	52.2	48%	0.479	29%	0.294	S	S	.	.	S	Bend	trans	-150.6	158.3	-178.3	0	0	0	0	0	110.3	N295	A210-N295 PolarHBondContact O-ND2 3.29Å; A210-N295 PolarHBondContact O-OD1 2.77Å
211	V	95.1	Very high	93.3	Very high	67 Å²	67	54 Å²	54	41%	0.406	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-68.1	157.6	172.4	-62.4	0	0	0	0	110.8	F297	V211-F297 HydrophobicContact CG1-CD1 3.8Å; V211-F297 HydrophobicContact CG1-CE1 4.17Å
212	P	95.8	Very high	93.2	Very high	3 Å²	3	52.9 Å²	52.9	2%	0.019	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-63	148	175	-17	30.2	0	0	0	111.3	V214 I235 V242 A293 N295 G298 A300	P212-V214 HydrophobicContact CB-CG2 4.4Å; P212-I235 HydrophobicContact CB-CG2 4.42Å; P212-V242 HydrophobicContact CB-CG2 3.96Å; P212-V242 HydrophobicContact CG-CG2 3.73Å; P212-A293 HydrophobicContact CB-CB 3.87Å; P212-A293 HydrophobicContact CG-CB 4.07Å; P212-N295 WeakPolarHBondContact CD-ND2 3.37Å; P212-N295 HydrophobicContact CG-CB 3.99Å; P212-G298 WeakPolarHBondContact CD-O 3.05Å; P212-A300 WeakPolarHBondContact O-CB 3.18Å
213	V	96.2	Very high	93	Very high	98 Å²	98	53.9 Å²	53.9	59%	0.594	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	120.3	173.3	179	0	0	0	0	108.7	I235 K236	V213-I235 CarbonylContact O-C 3.56Å; V213-I235 WeakPolarHBondContact O-CA 3.13Å; V213-K236 HydrophobicContact CB-CB 4.2Å; V213-K236 PolarHBondContact N-O 2.94Å; V213-K236 PolarHBondContact O-N 3.42Å
214	V	96.1	Very high	92.8	Very high	25 Å²	25	53.1 Å²	53.1	15%	0.152	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	135.6	-173.3	-166.8	0	0	0	0	110.6	P212 C233 L234 I235 C291 A293 A300 V302	P212-V214 HydrophobicContact CB-CG2 4.4Å; V214-C233 WeakPolarHBondContact CG1-SG 3.41Å; V214-L234 CarbonylContact C-O 3.6Å; V214-L234 WeakPolarHBondContact CA-O 3.36Å; V214-I235 HydrophobicContact CG1-CG1 4.1Å; V214-I235 HydrophobicContact CG2-CG1 4.44Å; V214-C291 HydrophobicContact CG1-CB 4.3Å; V214-A293 HydrophobicContact CG2-CB 3.48Å; V214-A293 VanDerWaalsContact CG2-CB 3.48Å; V214-A300 HydrophobicContact CG2-CB 3.8Å; V214-V302 HydrophobicContact CB-CG1 4.39Å; V214-V302 HydrophobicContact CG1-CG1 3.65Å
215	S	96.1	Very high	92.6	Very high	55 Å²	55	57.3 Å²	57.3	39%	0.385	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	158.2	176.1	61.6	0	0	0	0	111.9	C233 L234	S215-C233 CarbonylContact O-C 3.56Å; S215-C233 WeakPolarHBondContact O-CA 3.33Å; S215-L234 PolarHBondContact N-O 2.98Å; S215-L234 PolarHBondContact O-N 2.71Å
216	V	94.8	Very high	92.5	Very high	25 Å²	25	51.1 Å²	51.1	15%	0.152	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	153.5	176.8	-75.1	0	0	0	0	112	K218 V231 T232 C233 W246 C291 V302	V216-K218 VanDerWaalsContact C-N 3.33Å; V216-K218 PolarHBondContact O-N 3.11Å; V216-V231 HydrophobicContact CB-CG2 4.45Å; V216-T232 CarbonylContact C-O 3.57Å; V216-T232 VanDerWaalsContact CA-O 3.29Å; V216-T232 WeakPolarHBondContact CA-O 3.35Å; V216-C233 HydrophobicContact CG1-CB 4.18Å; V216-W246 HydrophobicContact CG1-CH2 3.75Å; V216-W246 HydrophobicContact CG1-CZ2 4.48Å; V216-C291 HydrophobicContact CG1-CB 4.33Å; V216-V302 HydrophobicContact CB-CG1 4.39Å; V216-V302 HydrophobicContact CG1-CG1 3.52Å; V216-V302 HydrophobicContact CG2-CG1 4.33Å; V216-V302 HydrophobicContact CG2-CG2 3.76Å
217	S	91.6	Very high	92.6	Very high	75 Å²	75	53.1 Å²	53.1	52%	0.524	31%	0.307	S	S	.	.	S	Bend	trans	-63.8	-33.3	-177.6	56.1	0	0	0	0	114	Y221 T232	S217-Y221 PolarHBondContact OG-OH 3.36Å; S217-T232 PolarHBondContact N-O 3.05Å; S217-T232 PolarHBondContact OG-N 3.47Å
218	K	89.8	Confident	92.7	Very high	51 Å²	51	57.4 Å²	57.4	22%	0.222	33%	0.325	C	S	.	.			trans	-156.3	140	178.6	-170.9	169	-171.7	152.6	0	110.5	V216 S220 Y221 T304 E369	V216-K218 VanDerWaalsContact C-N 3.33Å; V216-K218 PolarHBondContact O-N 3.11Å; K218-S220 WeakPolarHBondContact CE-O 3.31Å; K218-Y221 HydrophobicContact CB-CD2 4.45Å; K218-Y221 HydrophobicContact CB-CE2 3.59Å; K218-Y221 HydrophobicContact CD-CD1 4.49Å; K218-Y221 HydrophobicContact CD-CE1 4.17Å; K218-Y221 HydrophobicContact CD-CE2 4.31Å; K218-Y221 HydrophobicContact CG-CD2 4.47Å; K218-Y221 HydrophobicContact CG-CE2 4.05Å; K218-T304 WeakPolarHBondContact O-CB 3.43Å; K218-T304 PolarHBondContact O-OG1 2.58Å; K218-E369 VanDerWaalsContact NZ-CB 3.35Å; K218-E369 PolarHBondContact NZ-O 2.96Å; K218-E369 IonicContact NZ-OE2 3.27Å; K218-E369 PolarHBondContact NZ-OE2 3.14Å
219	T	89.5	Confident	92.9	Very high	97 Å²	97	56 Å²	56	60%	0.595	32%	0.317	S	S	*	.	S	Bend	trans	-85	-25.2	-173.4	51.2	0	0	0	0	113.7	T304 T305	T219-T304 CarbonylContact O-C 3.5Å; T219-T304 VanDerWaalsContact O-CA 3.29Å; T219-T304 WeakPolarHBondContact O-CA 3.38Å; T219-T304 PolarHBondContact O-OG1 3.46Å; T219-T305 PolarHBondContact O-N 3.14Å
220	S	91.1	Very high	93.1	Very high	41 Å²	41	52.4 Å²	52.4	29%	0.287	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	137.3	-179	63.9	0	0	0	0	112	K218 T305 S370	K218-S220 WeakPolarHBondContact CE-O 3.31Å; S220-T305 CarbonylContact C-O 3.57Å; S220-T305 WeakPolarHBondContact CA-O 3.42Å; S220-S370 WeakPolarHBondContact OG-CB 3.25Å
221	Y	91.9	Very high	93.1	Very high	39 Å²	39	49.7 Å²	49.7	15%	0.153	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	131.3	176.6	-71	-103.5	0	0	0	109.8	S217 K218 F229 A230 V231 T305 E307	S217-Y221 PolarHBondContact OG-OH 3.36Å; K218-Y221 HydrophobicContact CB-CD2 4.45Å; K218-Y221 HydrophobicContact CB-CE2 3.59Å; K218-Y221 HydrophobicContact CD-CD1 4.49Å; K218-Y221 HydrophobicContact CD-CE1 4.17Å; K218-Y221 HydrophobicContact CD-CE2 4.31Å; K218-Y221 HydrophobicContact CG-CD2 4.47Å; K218-Y221 HydrophobicContact CG-CE2 4.05Å; Y221-F229 HydrophobicContact CD1-CD2 4.06Å; Y221-F229 HydrophobicContact CD1-CE2 4.23Å; Y221-F229 HydrophobicContact CD2-CD2 4.27Å; Y221-F229 AromaticContact CD2-CE2 3.63Å; Y221-F229 HydrophobicContact CD2-CE2 3.63Å; Y221-F229 HydrophobicContact CE1-CD2 4.4Å; Y221-F229 HydrophobicContact CE1-CE2 4.45Å; Y221-F229 AromaticContact CE2-CE2 3.88Å; Y221-F229 HydrophobicContact CE2-CE2 3.88Å; Y221-F229 AromaticContact CG-CD2 3.97Å; Y221-F229 HydrophobicContact CG-CD2 3.97Å; Y221-F229 AromaticContact CG-CE2 3.8Å; Y221-F229 HydrophobicContact CG-CE2 3.8Å; Y221-A230 PolarHBondContact OH-O 3Å; Y221-V231 HydrophobicContact CE2-CB 4.1Å; Y221-V231 HydrophobicContact CE2-CG2 4.05Å; Y221-T305 PolarHBondContact N-O 3.26Å; Y221-E307 PolarHBondContact O-N 3.02Å
222	L	92.2	Very high	93.2	Very high	37 Å²	37	47.5 Å²	47.5	19%	0.194	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	116.1	166	179.2	64.3	0	0	0	107.6	E307 V309 F313 Y341 I372	L222-E307 WeakPolarHBondContact CA-O 3.47Å; L222-E307 HydrophobicContact CD1-CB 4.01Å; L222-E307 HydrophobicContact CD1-CG 3.87Å; L222-V309 HydrophobicContact CD1-CG1 3.93Å; L222-V309 HydrophobicContact CD1-CG2 4.37Å; L222-F313 HydrophobicContact CD2-CE1 4.45Å; L222-Y341 HydrophobicContact CB-CE2 4.32Å; L222-Y341 HydrophobicContact CD2-CD1 4.11Å; L222-Y341 HydrophobicContact CD2-CD2 3.5Å; L222-Y341 VanDerWaalsContact CD2-CD2 3.5Å; L222-Y341 HydrophobicContact CD2-CE2 4.02Å; L222-Y341 HydrophobicContact CD2-CG 3.55Å; L222-Y341 HydrophobicContact CG-CD1 4.23Å; L222-Y341 HydrophobicContact CG-CD2 3.91Å; L222-Y341 HydrophobicContact CG-CE1 4.24Å; L222-Y341 HydrophobicContact CG-CE2 3.9Å; L222-Y341 HydrophobicContact CG-CG 4.08Å; L222-Y341 WeakPolarHBondContact O-CE2 3.48Å; L222-Y341 PolarHBondContact O-OH 3.15Å; L222-I372 HydrophobicContact CD2-CG2 3.73Å
223	L	92	Very high	93.2	Very high	21 Å²	21	47.4 Å²	47.4	11%	0.11	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	151	-176.7	-63	-176.8	0	0	0	110.7	E227 F229 A281 L306 E307 V308 V309 Y341	L223-E227 HydrophobicContact CB-CB 4.36Å; L223-F229 HydrophobicContact CD1-CB 3.66Å; L223-F229 HydrophobicContact CD1-CD2 4.42Å; L223-A281 HydrophobicContact CD1-CB 4.38Å; L223-L306 HydrophobicContact CD1-CD1 3.8Å; L223-L306 HydrophobicContact CG-CD1 4.08Å; L223-E307 PolarHBondContact N-O 3.09Å; L223-V308 CarbonylContact O-C 3.59Å; L223-V308 VanDerWaalsContact O-CA 3.31Å; L223-V308 WeakPolarHBondContact O-CA 3.34Å; L223-V309 PolarHBondContact O-N 3.02Å; L223-Y341 VanDerWaalsContact C-OH 3.27Å; L223-Y341 WeakPolarHBondContact CA-OH 3.3Å
224	R	90.8	Very high	93.3	Very high	86 Å²	86	44.6 Å²	44.6	33%	0.325	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	144.2	164.4	-171.3	172.4	56.2	179	-1.3	109.3	G226 E227 V309 Y341 D399	R224-G226 PolarHBondContact O-N 3.03Å; R224-E227 HydrophobicContact CB-CG 4.28Å; R224-E227 PolarHBondContact N-OE2 3.28Å; R224-E227 WeakPolarHBondContact O-CB 3.38Å; R224-E227 WeakPolarHBondContact O-CG 3.46Å; R224-E227 PolarHBondContact O-N 3.03Å; R224-V309 CarbonylContact C-O 3.52Å; R224-V309 WeakPolarHBondContact CA-O 3.16Å; R224-Y341 HydrophobicContact CB-CE1 4.19Å; R224-Y341 PolarHBondContact N-OH 3.04Å; R224-Y341 VanDerWaalsContact N-OH 3.07Å; R224-D399 IonicContact NH1-OD1 4Å; R224-D399 PolarHBondContact NH1-OD1 3.18Å; R224-D399 IonicContact NH1-OD2 2.76Å
225	E	92.1	Very high	93.3	Very high	93 Å²	93	43.4 Å²	43.4	44%	0.435	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	131.3	175.9	-178.5	164.1	-124.8	0	0	111	V308 V309	E225-V308 HydrophobicContact CB-CG1 4.11Å; E225-V309 PolarHBondContact N-O 2.97Å
226	G	91.1	Very high	93.3	Very high	42 Å²	42	45.4 Å²	45.4	43%	0.433	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	100.3	-18.9	-175.8	0	0	0	0	0	114.9	R224 S280 A281	R224-G226 PolarHBondContact O-N 3.03Å; G226-S280 WeakPolarHBondContact CA-OG 3.43Å; G226-S280 PolarHBondContact O-OG 3.14Å; G226-A281 PolarHBondContact N-O 2.92Å
227	E	91.9	Very high	93.3	Very high	62 Å²	62	45 Å²	45	29%	0.29	24%	0.242	S	C	.	.	S	Bend	trans	-74.6	158	178.7	-64.9	179.7	163.3	0	0	112.9	L223 R224 A281 Y341	L223-E227 HydrophobicContact CB-CB 4.36Å; R224-E227 HydrophobicContact CB-CG 4.28Å; R224-E227 PolarHBondContact N-OE2 3.28Å; R224-E227 WeakPolarHBondContact O-CB 3.38Å; R224-E227 WeakPolarHBondContact O-CG 3.46Å; R224-E227 PolarHBondContact O-N 3.03Å; E227-A281 WeakPolarHBondContact O-CB 3.47Å; E227-A281 PolarHBondContact O-N 3.1Å; E227-Y341 PolarHBondContact OE2-OH 2.84Å
228	E	94	Very high	93.4	Very high	104 Å²	104	43.2 Å²	43.2	49%	0.486	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-80.5	126.8	177.7	179.9	178.4	103.2	0	0	110.8	R275 T277 I278	E228-R275 IonicContact OE1-NH2 3.03Å; E228-T277 HydrophobicContact CG-CG2 3.98Å; E228-I278 WeakPolarHBondContact CA-O 3.19Å
229	F	94.5	Very high	93.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	120.9	165.4	169.7	-120.8	0	0	0	109.7	Y221 L223 V231 L276 T277 I278 A281 F289 T304 L306	Y221-F229 HydrophobicContact CD1-CD2 4.06Å; Y221-F229 HydrophobicContact CD1-CE2 4.23Å; Y221-F229 HydrophobicContact CD2-CD2 4.27Å; Y221-F229 AromaticContact CD2-CE2 3.63Å; Y221-F229 HydrophobicContact CD2-CE2 3.63Å; Y221-F229 HydrophobicContact CE1-CD2 4.4Å; Y221-F229 HydrophobicContact CE1-CE2 4.45Å; Y221-F229 AromaticContact CE2-CE2 3.88Å; Y221-F229 HydrophobicContact CE2-CE2 3.88Å; Y221-F229 AromaticContact CG-CD2 3.97Å; Y221-F229 HydrophobicContact CG-CD2 3.97Å; Y221-F229 AromaticContact CG-CE2 3.8Å; Y221-F229 HydrophobicContact CG-CE2 3.8Å; L223-F229 HydrophobicContact CD1-CB 3.66Å; L223-F229 HydrophobicContact CD1-CD2 4.42Å; F229-V231 HydrophobicContact CE1-CG1 4.08Å; F229-V231 HydrophobicContact CE2-CB 4.11Å; F229-V231 HydrophobicContact CE2-CG1 4.12Å; F229-V231 HydrophobicContact CZ-CB 4.06Å; F229-V231 HydrophobicContact CZ-CG1 3.55Å; F229-L276 HydrophobicContact CE1-CD2 4.09Å; F229-T277 CarbonylContact O-C 3.51Å; F229-T277 VanDerWaalsContact O-CA 3.27Å; F229-T277 WeakPolarHBondContact O-CA 3.33Å; F229-I278 HydrophobicContact CB-CB 4.22Å; F229-I278 HydrophobicContact CD1-CB 4.35Å; F229-I278 HydrophobicContact CD1-CD1 3.8Å; F229-I278 HydrophobicContact CD1-CG1 3.98Å; F229-I278 HydrophobicContact CE1-CD1 4.45Å; F229-I278 PolarHBondContact N-O 3.3Å; F229-I278 PolarHBondContact O-N 3.36Å; F229-A281 HydrophobicContact CB-CB 4.37Å; F229-F289 AromaticContact CE1-CD2 3.95Å; F229-F289 HydrophobicContact CE1-CD2 3.95Å; F229-F289 AromaticContact CE1-CE2 3.83Å; F229-F289 HydrophobicContact CE1-CE2 3.83Å; F229-F289 HydrophobicContact CE1-CG 4.38Å; F229-F289 HydrophobicContact CE1-CZ 4.15Å; F229-F289 HydrophobicContact CZ-CD2 4.07Å; F229-F289 HydrophobicContact CZ-CE2 4.32Å; F229-T304 HydrophobicContact CZ-CG2 4.44Å; F229-L306 HydrophobicContact CB-CD1 4.3Å; F229-L306 HydrophobicContact CB-CD2 4.14Å; F229-L306 HydrophobicContact CD1-CD2 3.76Å; F229-L306 HydrophobicContact CD2-CD1 3.79Å; F229-L306 HydrophobicContact CD2-CD2 4.23Å; F229-L306 HydrophobicContact CD2-CG 4.42Å; F229-L306 HydrophobicContact CE1-CD2 4.14Å; F229-L306 HydrophobicContact CE2-CB 4.31Å; F229-L306 HydrophobicContact CE2-CD1 4.27Å; F229-L306 HydrophobicContact CG-CD1 4.05Å; F229-L306 HydrophobicContact CG-CD2 3.79Å; F229-L306 HydrophobicContact CG-CG 4.45Å; F229-L306 HydrophobicContact CZ-CB 4.33Å
230	A	94.7	Very high	93.7	Very high	22 Å²	22	40.9 Å²	40.9	18%	0.182	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	125.6	174	0	0	0	0	0	111.3	Y221 L276 T277	Y221-A230 PolarHBondContact OH-O 3Å; A230-L276 WeakPolarHBondContact CA-O 3.34Å; A230-T277 HydrophobicContact CB-CG2 4.42Å
231	V	94.8	Very high	93.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	142.7	179.4	63.6	0	0	0	0	110.6	V216 Y221 F229 W246 R275 L276 T304	V216-V231 HydrophobicContact CB-CG2 4.45Å; Y221-V231 HydrophobicContact CE2-CB 4.1Å; Y221-V231 HydrophobicContact CE2-CG2 4.05Å; F229-V231 HydrophobicContact CE1-CG1 4.08Å; F229-V231 HydrophobicContact CE2-CB 4.11Å; F229-V231 HydrophobicContact CE2-CG1 4.12Å; F229-V231 HydrophobicContact CZ-CB 4.06Å; F229-V231 HydrophobicContact CZ-CG1 3.55Å; V231-W246 HydrophobicContact CG1-CH2 3.7Å; V231-W246 HydrophobicContact CG1-CZ2 3.95Å; V231-W246 HydrophobicContact CG1-CZ3 4.33Å; V231-W246 HydrophobicContact CG2-CH2 4.06Å; V231-R275 CarbonylContact O-C 3.59Å; V231-R275 WeakPolarHBondContact O-CA 3.37Å; V231-L276 HydrophobicContact CG1-CB 3.86Å; V231-L276 HydrophobicContact CG1-CD2 4.11Å; V231-L276 PolarHBondContact N-O 3.41Å; V231-L276 PolarHBondContact O-N 3.1Å; V231-T304 HydrophobicContact CG1-CG2 4.17Å; V231-T304 HydrophobicContact CG2-CG2 4.02Å
232	T	96.6	Very high	93.8	Very high	22 Å²	22	40.8 Å²	40.8	14%	0.135	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	130.5	-178.6	-61.7	0	0	0	0	110.2	V216 S217 Q273	V216-T232 CarbonylContact C-O 3.57Å; V216-T232 VanDerWaalsContact CA-O 3.29Å; V216-T232 WeakPolarHBondContact CA-O 3.35Å; S217-T232 PolarHBondContact N-O 3.05Å; S217-T232 PolarHBondContact OG-N 3.47Å; T232-Q273 HydrophobicContact CG2-CG 3.27Å; T232-Q273 VanDerWaalsContact CG2-NE2 3.31Å
233	C	96.4	Very high	94	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	137.4	169.4	-179.7	0	0	0	0	110.6	V214 S215 V216 W246 Q273 E274 C291	V214-C233 WeakPolarHBondContact CG1-SG 3.41Å; S215-C233 CarbonylContact O-C 3.56Å; S215-C233 WeakPolarHBondContact O-CA 3.33Å; V216-C233 HydrophobicContact CG1-CB 4.18Å; C233-W246 HydrophobicContact CB-CH2 4.08Å; C233-W246 HydrophobicContact CB-CZ2 3.41Å; C233-W246 VanDerWaalsContact CB-CZ2 3.41Å; C233-Q273 CarbonylContact O-C 3.57Å; C233-Q273 VanDerWaalsContact O-CA 3.32Å; C233-Q273 WeakPolarHBondContact O-CA 3.48Å; C233-E274 PolarHBondContact N-O 2.96Å; C233-E274 PolarHBondContact O-N 2.84Å; C233-C291 HydrophobicContact CB-CB 3.58Å; C233-C291 WeakPolarHBondContact CB-SG 3.45Å; C233-C291 WeakPolarHBondContact SG-CB 3.34Å; C233-C291 CovalentContact SG-SG 2.01Å; C233-C291 PolarHBondContact SG-SG 3.45Å
234	L	96.9	Very high	94.1	Very high	40 Å²	40	42.2 Å²	42.2	21%	0.209	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	127.9	175.6	-68.3	164.7	0	0	0	108.8	V214 S215 L271 Q273	V214-L234 CarbonylContact C-O 3.6Å; V214-L234 WeakPolarHBondContact CA-O 3.36Å; S215-L234 PolarHBondContact N-O 2.98Å; S215-L234 PolarHBondContact O-N 2.71Å; L234-L271 HydrophobicContact CB-CD1 4.34Å; L234-L271 HydrophobicContact CD2-CD1 4.11Å; L234-Q273 HydrophobicContact CD2-CB 3.96Å; L234-Q273 HydrophobicContact CD2-CG 3.87Å
235	I	97.1	Very high	94.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	114.9	-176.8	-59.2	144.1	0	0	0	108.1	P212 V213 V214 V242 S244 L271 R272 E274 A293	P212-I235 HydrophobicContact CB-CG2 4.42Å; V213-I235 CarbonylContact O-C 3.56Å; V213-I235 WeakPolarHBondContact O-CA 3.13Å; V214-I235 HydrophobicContact CG1-CG1 4.1Å; V214-I235 HydrophobicContact CG2-CG1 4.44Å; I235-V242 HydrophobicContact CG2-CG1 4.25Å; I235-V242 HydrophobicContact CG2-CG2 3.99Å; I235-S244 WeakPolarHBondContact CD1-OG 3.19Å; I235-L271 WeakPolarHBondContact O-CA 3.42Å; I235-R272 HydrophobicContact CB-CB 4.35Å; I235-R272 PolarHBondContact N-O 2.91Å; I235-R272 PolarHBondContact O-N 2.87Å; I235-E274 HydrophobicContact CD1-CG 4.14Å; I235-A293 HydrophobicContact CG1-CB 4.29Å; I235-A293 HydrophobicContact CG2-CB 3.81Å
236	K	96	Very high	94.3	Very high	97 Å²	97	39.1 Å²	39.1	42%	0.422	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	130.1	177.3	-67.2	176.6	-179.3	-177.1	0	109.8	V213 Y270 L271	V213-K236 HydrophobicContact CB-CB 4.2Å; V213-K236 PolarHBondContact N-O 2.94Å; V213-K236 PolarHBondContact O-N 3.42Å; K236-Y270 WeakPolarHBondContact CA-O 3.38Å; K236-L271 HydrophobicContact CD-CD1 4.41Å; K236-L271 HydrophobicContact CG-CD1 3.52Å
237	D	95.3	Very high	94.4	Very high	16 Å²	16	39.6 Å²	39.6	9%	0.086	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	167.4	175.8	-152.6	-36.4	0	0	0	110.3	S239 V242 Y270 N295	D237-S239 PolarHBondContact O-N 3.24Å; D237-V242 HydrophobicContact CB-CB 3.95Å; D237-V242 HydrophobicContact CB-CG1 4.08Å; D237-V242 HydrophobicContact CB-CG2 4.33Å; D237-V242 WeakPolarHBondContact OD2-CB 3.41Å; D237-V242 WeakPolarHBondContact OD2-CG2 3.38Å; D237-Y270 PolarHBondContact N-O 2.82Å; D237-Y270 WeakPolarHBondContact O-CA 3.44Å; D237-Y270 WeakPolarHBondContact O-CB 3.06Å; D237-Y270 PolarHBondContact O-N 3.43Å; D237-Y270 VanDerWaalsContact O-O 3.13Å; D237-N295 WeakPolarHBondContact OD2-CB 3.06Å; D237-N295 PolarHBondContact OD2-ND2 2.86Å
238	V	93	Very high	94.3	Very high	38 Å²	38	37.6 Å²	37.6	23%	0.23	21%	0.206	C	C	.	.	S	Bend	trans	-73.6	-13.9	177.8	-62	0	0	0	0	113.2	A206 I208 F268	A206-V238 HydrophobicContact CB-CG2 4.3Å; I208-V238 HydrophobicContact CG1-CG2 3.97Å; V238-F268 WeakPolarHBondContact CA-O 3.35Å; V238-F268 CarbonylContact O-C 3.4Å; V238-F268 WeakPolarHBondContact O-CA 3.44Å
239	S	91.2	Very high	93.8	Very high	37 Å²	37	39.1 Å²	39.1	26%	0.259	21%	0.213	S	C	.	.	S	Bend	trans	-148.8	151.1	-172.2	-179.1	0	0	0	0	111.2	D237 S241	D237-S239 PolarHBondContact O-N 3.24Å; S239-S241 WeakPolarHBondContact CB-OG 3.21Å; S239-S241 PolarHBondContact O-N 2.97Å; S239-S241 VanDerWaalsContact O-N 3.13Å; S239-S241 PolarHBondContact OG-N 3.29Å; S239-S241 PolarHBondContact OG-OG 3.48Å
240	S	93.5	Very high	92.9	Very high	61 Å²	61	44.8 Å²	44.8	43%	0.427	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-5.7	173.6	55.4	0	0	0	0	114.2	V242 R272	S240-V242 PolarHBondContact O-N 3.47Å; S240-R272 PolarHBondContact O-NH2 2.91Å; S240-R272 VanDerWaalsContact O-NH2 3.17Å
241	S	92.3	Very high	91.5	Very high	75 Å²	75	48.8 Å²	48.8	52%	0.524	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-3.4	178.8	56.6	0	0	0	0	114.9	S239	S239-S241 WeakPolarHBondContact CB-OG 3.21Å; S239-S241 PolarHBondContact O-N 2.97Å; S239-S241 VanDerWaalsContact O-N 3.13Å; S239-S241 PolarHBondContact OG-N 3.29Å; S239-S241 PolarHBondContact OG-OG 3.48Å
242	V	94.1	Very high	90	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.024	30%	0.296	C	S	.	.			trans	-61.7	135.5	174.1	64.5	0	0	0	0	110.7	P212 I235 D237 S240 Y270 R272 A293	P212-V242 HydrophobicContact CB-CG2 3.96Å; P212-V242 HydrophobicContact CG-CG2 3.73Å; I235-V242 HydrophobicContact CG2-CG1 4.25Å; I235-V242 HydrophobicContact CG2-CG2 3.99Å; D237-V242 HydrophobicContact CB-CB 3.95Å; D237-V242 HydrophobicContact CB-CG1 4.08Å; D237-V242 HydrophobicContact CB-CG2 4.33Å; D237-V242 WeakPolarHBondContact OD2-CB 3.41Å; D237-V242 WeakPolarHBondContact OD2-CG2 3.38Å; S240-V242 PolarHBondContact O-N 3.47Å; V242-Y270 HydrophobicContact CG1-CD1 4.04Å; V242-Y270 HydrophobicContact CG1-CE1 3.81Å; V242-R272 VanDerWaalsContact O-CZ 3.26Å; V242-R272 PolarHBondContact O-NH1 3.14Å; V242-R272 PolarHBondContact O-NH2 3.43Å; V242-A293 HydrophobicContact CG2-CB 4.23Å
243	D	95.6	Very high	88.3	Confident	85 Å²	85	63 Å²	63	46%	0.455	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	145.8	172.5	-172.4	29.9	0	0	0	110.3	A293 N294	D243-A293 CarbonylContact O-C 3.58Å; D243-A293 WeakPolarHBondContact O-CA 3.38Å; D243-N294 PolarHBondContact N-O 3.46Å; D243-N294 PolarHBondContact O-N 2.93Å
244	S	95	Very high	86.8	Confident	3 Å²	3	64.6 Å²	64.6	2%	0.021	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	146.3	-177.6	55.6	0	0	0	0	115.3	I235 K260 R272 E274 Y292	I235-S244 WeakPolarHBondContact CD1-OG 3.19Å; S244-K260 PolarHBondContact O-NZ 3.15Å; S244-R272 VanDerWaalsContact OG-CD 3.29Å; S244-R272 WeakPolarHBondContact OG-CD 3.43Å; S244-R272 PolarHBondContact OG-NH1 2.95Å; S244-E274 WeakPolarHBondContact CB-OE1 3.4Å; S244-E274 PolarHBondContact OG-OE1 3.12Å; S244-Y292 CarbonylContact C-O 3.58Å; S244-Y292 WeakPolarHBondContact CA-O 3.36Å; S244-Y292 WeakPolarHBondContact CB-O 3.3Å
245	M	93.7	Very high	85.7	Confident	79 Å²	79	71 Å²	71	39%	0.389	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	158.3	-178.3	63.1	-174.4	77.5	0	0	113.4	I247 Y292	M245-I247 HydrophobicContact CG-CD1 4.05Å; M245-I247 HydrophobicContact CG-CG1 4.01Å; M245-I247 HydrophobicContact SD-CD1 4.02Å; M245-I247 HydrophobicContact SD-CG1 4.21Å; M245-Y292 HydrophobicContact CG-CD1 4.12Å; M245-Y292 PolarHBondContact N-O 3.4Å; M245-Y292 PolarHBondContact O-N 3.07Å
246	W	93.5	Very high	85	Confident	35 Å²	35	72.5 Å²	72.5	13%	0.133	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	134.5	167.8	-81.1	103.1	0	0	0	111	V216 V231 C233 E274 L276 F289 M290 C291 T304	V216-W246 HydrophobicContact CG1-CH2 3.75Å; V216-W246 HydrophobicContact CG1-CZ2 4.48Å; V231-W246 HydrophobicContact CG1-CH2 3.7Å; V231-W246 HydrophobicContact CG1-CZ2 3.95Å; V231-W246 HydrophobicContact CG1-CZ3 4.33Å; V231-W246 HydrophobicContact CG2-CH2 4.06Å; C233-W246 HydrophobicContact CB-CH2 4.08Å; C233-W246 HydrophobicContact CB-CZ2 3.41Å; C233-W246 VanDerWaalsContact CB-CZ2 3.41Å; W246-E274 PolarHBondContact NE1-O 3.14Å; W246-E274 VanDerWaalsContact NE1-O 3.16Å; W246-L276 HydrophobicContact CB-CD1 4.28Å; W246-L276 HydrophobicContact CD2-CB 4.1Å; W246-L276 HydrophobicContact CD2-CD2 4.14Å; W246-L276 HydrophobicContact CE3-CD2 4.15Å; W246-L276 HydrophobicContact CG-CB 4.24Å; W246-L276 HydrophobicContact CG-CD1 4.22Å; W246-L276 HydrophobicContact CG-CD2 4.42Å; W246-L276 HydrophobicContact CZ2-CB 4.23Å; W246-F289 HydrophobicContact CE3-CB 4.2Å; W246-F289 HydrophobicContact CZ3-CB 4.08Å; W246-M290 CarbonylContact C-O 3.43Å; W246-M290 WeakPolarHBondContact CA-O 3.3Å; W246-C291 HydrophobicContact CD2-CB 4.29Å; W246-C291 HydrophobicContact CE3-CB 4.05Å; W246-C291 HydrophobicContact CH2-CB 4.01Å; W246-C291 HydrophobicContact CZ2-CB 4.24Å; W246-C291 HydrophobicContact CZ3-CB 3.9Å; W246-T304 HydrophobicContact CH2-CG2 4.28Å; W246-T304 HydrophobicContact CZ3-CG2 4.07Å
247	I	91.7	Very high	84.7	Confident	52 Å²	52	74.3 Å²	74.3	27%	0.267	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	131	-177.3	-59.2	170.7	0	0	0	109	M245 F289 M290 Y292	M245-I247 HydrophobicContact CG-CD1 4.05Å; M245-I247 HydrophobicContact CG-CG1 4.01Å; M245-I247 HydrophobicContact SD-CD1 4.02Å; M245-I247 HydrophobicContact SD-CG1 4.21Å; I247-F289 CarbonylContact O-C 3.59Å; I247-F289 WeakPolarHBondContact O-CA 3.49Å; I247-M290 HydrophobicContact CB-CB 4.4Å; I247-M290 HydrophobicContact CB-CE 4.11Å; I247-M290 HydrophobicContact CD1-CE 3.8Å; I247-M290 HydrophobicContact CG2-CE 4.18Å; I247-M290 PolarHBondContact N-O 3.29Å; I247-M290 PolarHBondContact O-N 3.21Å; I247-Y292 HydrophobicContact CD1-CG 4.36Å
248	K	90.3	Very high	84.5	Confident	19 Å²	19	76.8 Å²	76.8	8%	0.083	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	132.1	167.5	-175.6	171.7	178.4	168.2	0	108.7	N250 S251 T254 N284 D285 S286 F289	K248-N250 PolarHBondContact O-N 2.97Å; K248-S251 PolarHBondContact O-N 3.36Å; K248-T254 HydrophobicContact CD-CG2 3.54Å; K248-N284 PolarHBondContact NZ-O 3.16Å; K248-D285 PolarHBondContact NZ-O 3.17Å; K248-S286 PolarHBondContact NZ-O 2.67Å; K248-F289 HydrophobicContact CB-CD1 4.27Å; K248-F289 HydrophobicContact CB-CE1 4.26Å; K248-F289 HydrophobicContact CD-CE1 4.13Å; K248-F289 HydrophobicContact CD-CZ 4.12Å; K248-F289 HydrophobicContact CG-CE1 4.33Å
249	E	83.4	Confident	84.5	Confident	136 Å²	136	81.9 Å²	81.9	64%	0.636	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-32.8	-169	-170.6	172	-152.8	0	0	114.5	V288	E249-V288 HydrophobicContact CB-CB 4.17Å; E249-V288 PolarHBondContact N-O 3.13Å; E249-V288 WeakPolarHBondContact OE2-CB 3.02Å; E249-V288 WeakPolarHBondContact OE2-CG2 3.45Å
250	N	76.5	Confident	84.7	Confident	120 Å²	120	85.6 Å²	85.6	64%	0.642	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	13	179.7	-69.9	-23.9	0	0	0	114.8	K248 Q252	K248-N250 PolarHBondContact O-N 2.97Å; N250-Q252 HydrophobicContact CB-CG 4.42Å; N250-Q252 PolarHBondContact O-N 3.41Å
251	S	64.5	Low	84.7	Confident	105 Å²	105	86.4 Å²	86.4	73%	0.734	44%	0.439	S	S	*	.			trans	51.8	18.7	178.9	-60.1	0	0	0	0	115.6	K248	K248-S251 PolarHBondContact O-N 3.36Å
252	Q	63.2	Low	84.8	Confident	116 Å²	116	86.1 Å²	86.1	54%	0.542	44%	0.437	S	S	.	.			trans	-68.4	135.9	175.7	-72.4	-178.7	-12.3	0	0	109.7	N250 T254	N250-Q252 HydrophobicContact CB-CG 4.42Å; N250-Q252 PolarHBondContact O-N 3.41Å; Q252-T254 PolarHBondContact O-N 3.06Å
253	Q	61.1	Low	84.8	Confident	204 Å²	204	90 Å²	90	95%	0.953	45%	0.451	S	S	*	.			trans	-63.5	95.5	175.6	-84	-177.5	-15.1	0	0	110.6
254	T	64.6	Low	84.6	Confident	34 Å²	34	91.8 Å²	91.8	21%	0.209	46%	0.457	C	S	.	.			trans	-85.5	139.7	164.5	40.6	0	0	0	0	110	K248 Q252 A256 F289	K248-T254 HydrophobicContact CD-CG2 3.54Å; Q252-T254 PolarHBondContact O-N 3.06Å; T254-A256 PolarHBondContact O-N 3.3Å; T254-F289 HydrophobicContact CG2-CZ 4.35Å
255	K	73.7	Confident	84.2	Confident	176 Å²	176	96.2 Å²	96.2	77%	0.765	48%	0.477	S	S	*	.			trans	-75.3	53.3	173	-70.1	-175.1	176.2	-179.1	0	111.3
256	A	83.8	Confident	83.8	Confident	31 Å²	31	94.4 Å²	94.4	26%	0.256	48%	0.479	S	S	.	.			trans	-91.8	138.4	-178.9	0	0	0	0	0	110.7	T254 L276 T277 I278	T254-A256 PolarHBondContact O-N 3.3Å; A256-L276 HydrophobicContact CB-CD1 3.54Å; A256-L276 HydrophobicContact CB-CG 4.17Å; A256-T277 WeakPolarHBondContact CA-O 3.48Å; A256-I278 HydrophobicContact CB-CD1 4.49Å; A256-I278 HydrophobicContact CB-CG1 3.92Å
257	Q	89.6	Confident	83.6	Confident	135 Å²	135	96.3 Å²	96.3	63%	0.631	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	137.5	173.1	-64.8	-177.5	-2.7	0	0	109.3	L276 T277	Q257-L276 CarbonylContact O-C 3.3Å; Q257-L276 WeakPolarHBondContact O-CA 3.09Å; Q257-T277 PolarHBondContact N-O 3.46Å; Q257-T277 PolarHBondContact O-N 2.96Å
258	T	91	Very high	83.6	Confident	68 Å²	68	96.2 Å²	96.2	42%	0.417	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	127	176.8	-55.3	0	0	0	0	110.2	K260 E274 R275	T258-K260 HydrophobicContact CG2-CG 4.43Å; T258-E274 HydrophobicContact CG2-CB 4.49Å; T258-R275 CarbonylContact C-O 3.55Å; T258-R275 VanDerWaalsContact CA-O 3.29Å; T258-R275 WeakPolarHBondContact CA-O 3.32Å
259	K	93.1	Very high	83.7	Confident	145 Å²	145	97.4 Å²	97.4	63%	0.63	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.9	130.3	174.2	-172.8	176.4	-179.5	179.7	0	110	E274 R275	K259-E274 CarbonylContact O-C 3.54Å; K259-E274 WeakPolarHBondContact O-CA 3.39Å; K259-R275 PolarHBondContact N-O 3.36Å; K259-R275 PolarHBondContact O-N 3.38Å
260	K	93.7	Very high	84.3	Confident	114 Å²	114	91.6 Å²	91.6	50%	0.496	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	129.2	-177.9	-52.8	-167.5	177.8	-150.3	0	110.9	S244 T258 Q273 E274	S244-K260 PolarHBondContact O-NZ 3.15Å; T258-K260 HydrophobicContact CG2-CG 4.43Å; K260-Q273 CarbonylContact C-O 3.59Å; K260-Q273 WeakPolarHBondContact CA-O 3.39Å; K260-E274 HydrophobicContact CB-CG 4.49Å; K260-E274 HydrophobicContact CD-CG 4.22Å; K260-E274 WeakPolarHBondContact CD-OE1 3.41Å; K260-E274 VanDerWaalsContact CE-CD 3.47Å; K260-E274 WeakPolarHBondContact CE-OE1 3.32Å; K260-E274 WeakPolarHBondContact CE-OE2 3.33Å; K260-E274 HydrophobicContact CG-CG 3.96Å; K260-E274 IonicContact NZ-OE1 3.73Å; K260-E274 PolarHBondContact NZ-OE1 3.33Å; K260-E274 IonicContact NZ-OE2 2.67Å; K260-E274 PolarHBondContact NZ-OE2 2.7Å
261	N	94.1	Very high	85.2	Confident	79 Å²	79	85.9 Å²	85.9	42%	0.422	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	147.1	169.9	-70.4	-6.1	0	0	0	108.8	W263 R272 Q273	N261-W263 HydrophobicContact CB-CE3 4.5Å; N261-W263 HydrophobicContact CB-CZ3 3.94Å; N261-R272 CarbonylContact O-C 3.52Å; N261-R272 WeakPolarHBondContact O-CA 3.35Å; N261-Q273 PolarHBondContact N-O 2.66Å; N261-Q273 PolarHBondContact O-N 3.27Å
262	S	94.9	Very high	86.7	Confident	68 Å²	68	82.3 Å²	82.3	48%	0.476	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	148.8	176.2	65.8	0	0	0	0	113.3	Y270 L271	S262-Y270 WeakPolarHBondContact CB-OH 3.41Å; S262-Y270 PolarHBondContact OG-OH 3.47Å; S262-L271 CarbonylContact C-O 3.5Å; S262-L271 VanDerWaalsContact CA-O 3.25Å; S262-L271 WeakPolarHBondContact CA-O 3.12Å; S262-L271 WeakPolarHBondContact CB-O 3.27Å
263	W	93.9	Very high	88.2	Confident	85 Å²	85	79.5 Å²	79.5	32%	0.322	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	161.1	-178.9	54.7	99.8	0	0	0	111.4	N261 L271 Q273	N261-W263 HydrophobicContact CB-CE3 4.5Å; N261-W263 HydrophobicContact CB-CZ3 3.94Å; W263-L271 HydrophobicContact CH2-CD2 4.21Å; W263-L271 HydrophobicContact CH2-CG 4.19Å; W263-L271 HydrophobicContact CZ2-CB 4.36Å; W263-L271 HydrophobicContact CZ2-CD2 3.25Å; W263-L271 HydrophobicContact CZ2-CG 3.58Å; W263-L271 PolarHBondContact N-O 3.25Å; W263-L271 PolarHBondContact O-N 3.03Å; W263-Q273 HydrophobicContact CH2-CB 3.79Å; W263-Q273 HydrophobicContact CZ3-CB 3.94Å
264	H	90.9	Very high	89.9	Confident	123 Å²	123	69.8 Å²	69.8	57%	0.569	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	128.7	172.9	-73	-81.3	0	0	0	109.3	S269 Y270	H264-S269 WeakPolarHBondContact CA-O 3.49Å; H264-Y270 AromaticContact CE1-CD2 3.69Å; H264-Y270 AromaticContact ND1-CD2 3.96Å; H264-Y270 AromaticContact NE2-CD2 3.96Å
265	Q	86.3	Confident	91.4	Very high	96 Å²	96	73.5 Å²	73.5	45%	0.449	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	10.5	177.8	-72	-177	-36.2	0	0	112.8	S269	Q265-S269 PolarHBondContact N-O 2.89Å
266	G	87	Confident	92.4	Very high	41 Å²	41	65.4 Å²	65.4	42%	0.423	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	149.3	-169.4	-177.2	0	0	0	0	0	111.5
267	D	89.4	Confident	92.9	Very high	75 Å²	75	64.9 Å²	64.9	40%	0.401	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	131.7	171.3	-68	-29.9	0	0	0	109.2	H180 R181 S269	H180-D267 VanDerWaalsContact CD2-CG 3.44Å; H180-D267 IonicContact CD2-OD1 3.84Å; H180-D267 IonicContact CD2-OD2 2.66Å; H180-D267 PolarHBondContact CD2-OD2 3.09Å; H180-D267 VanDerWaalsContact CD2-OD2 3.27Å; H180-D267 IonicContact NE2-OD1 2.87Å; H180-D267 PolarHBondContact NE2-OD1 3.36Å; H180-D267 IonicContact NE2-OD2 2.74Å; R181-D267 IonicContact CZ-OD1 2.68Å; R181-D267 IonicContact CZ-OD2 3.36Å; R181-D267 IonicContact NE-OD1 2.88Å; R181-D267 PolarHBondContact NE-OD1 3Å; R181-D267 IonicContact NE-OD2 3.34Å; R181-D267 PolarHBondContact NE-OD2 3.3Å; R181-D267 IonicContact NH2-OD1 3.81Å; R181-D267 PolarHBondContact NH2-OD1 3.46Å; R181-D267 IonicContact NH2-OD2 3.71Å; D267-S269 PolarHBondContact O-N 3Å
268	F	91.6	Very high	93.2	Very high	51 Å²	51	58.8 Å²	58.8	22%	0.224	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	28.6	-178.6	-43.8	-68.4	0	0	0	115	R177 H180 V204 A206 V238	R177-F268 HydrophobicContact CB-CD2 4.33Å; R177-F268 HydrophobicContact CB-CE2 3.79Å; R177-F268 HydrophobicContact CB-CZ 4.04Å; R177-F268 HydrophobicContact CG-CD2 4.44Å; R177-F268 HydrophobicContact CG-CE1 4.33Å; R177-F268 HydrophobicContact CG-CE2 4.1Å; R177-F268 HydrophobicContact CG-CZ 4.02Å; H180-F268 HydrophobicContact CB-CE2 3.75Å; H180-F268 HydrophobicContact CB-CZ 3.71Å; H180-F268 AromaticContact CG-CE2 3.94Å; H180-F268 AromaticContact CG-CZ 3.71Å; H180-F268 AromaticContact ND1-CZ 3.63Å; V204-F268 HydrophobicContact CB-CZ 4.16Å; V204-F268 HydrophobicContact CG1-CZ 4.36Å; V204-F268 VanDerWaalsContact O-CE1 3.3Å; V204-F268 WeakPolarHBondContact O-CE1 3.31Å; A206-F268 HydrophobicContact CB-CD1 3.48Å; A206-F268 VanDerWaalsContact CB-CD1 3.48Å; A206-F268 HydrophobicContact CB-CE1 3.84Å; A206-F268 HydrophobicContact CB-CG 4.4Å; V238-F268 WeakPolarHBondContact CA-O 3.35Å; V238-F268 CarbonylContact O-C 3.4Å; V238-F268 WeakPolarHBondContact O-CA 3.44Å
269	S	92.6	Very high	93.2	Very high	44 Å²	44	59.1 Å²	59.1	31%	0.308	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	114.6	173.7	-176.6	0	0	0	0	110.6	H264 Q265 D267	H264-S269 WeakPolarHBondContact CA-O 3.49Å; Q265-S269 PolarHBondContact N-O 2.89Å; D267-S269 PolarHBondContact O-N 3Å
270	Y	94.4	Very high	93.2	Very high	13 Å²	13	55.5 Å²	55.5	5%	0.051	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.5	-179.5	174	-100.3	0	0	0	110.2	K236 D237 V242 S262 H264 R272	K236-Y270 WeakPolarHBondContact CA-O 3.38Å; D237-Y270 PolarHBondContact N-O 2.82Å; D237-Y270 WeakPolarHBondContact O-CA 3.44Å; D237-Y270 WeakPolarHBondContact O-CB 3.06Å; D237-Y270 PolarHBondContact O-N 3.43Å; D237-Y270 VanDerWaalsContact O-O 3.13Å; V242-Y270 HydrophobicContact CG1-CD1 4.04Å; V242-Y270 HydrophobicContact CG1-CE1 3.81Å; S262-Y270 WeakPolarHBondContact CB-OH 3.41Å; S262-Y270 PolarHBondContact OG-OH 3.47Å; H264-Y270 AromaticContact CE1-CD2 3.69Å; H264-Y270 AromaticContact ND1-CD2 3.96Å; H264-Y270 AromaticContact NE2-CD2 3.96Å; Y270-R272 HydrophobicContact CE1-CB 3.85Å; Y270-R272 PolarHBondContact OH-NE 2.98Å; Y270-R272 VanDerWaalsContact OH-NE 3.1Å; Y270-R272 PolarHBondContact OH-NH2 3.05Å
271	L	95.5	Very high	93.2	Very high	1 Å²	1	50 Å²	50	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	131.1	178	177.4	56.7	0	0	0	109.6	L234 I235 K236 S262 W263	L234-L271 HydrophobicContact CB-CD1 4.34Å; L234-L271 HydrophobicContact CD2-CD1 4.11Å; I235-L271 WeakPolarHBondContact O-CA 3.42Å; K236-L271 HydrophobicContact CD-CD1 4.41Å; K236-L271 HydrophobicContact CG-CD1 3.52Å; S262-L271 CarbonylContact C-O 3.5Å; S262-L271 VanDerWaalsContact CA-O 3.25Å; S262-L271 WeakPolarHBondContact CA-O 3.12Å; S262-L271 WeakPolarHBondContact CB-O 3.27Å; W263-L271 HydrophobicContact CH2-CD2 4.21Å; W263-L271 HydrophobicContact CH2-CG 4.19Å; W263-L271 HydrophobicContact CZ2-CB 4.36Å; W263-L271 HydrophobicContact CZ2-CD2 3.25Å; W263-L271 HydrophobicContact CZ2-CG 3.58Å; W263-L271 PolarHBondContact N-O 3.25Å; W263-L271 PolarHBondContact O-N 3.03Å
272	R	95.5	Very high	93.1	Very high	30 Å²	30	51.6 Å²	51.6	11%	0.113	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	133.5	172.8	-178.1	-176.4	-61.4	159.8	6.2	109.6	I235 S240 V242 S244 N261 Y270 E274	I235-R272 HydrophobicContact CB-CB 4.35Å; I235-R272 PolarHBondContact N-O 2.91Å; I235-R272 PolarHBondContact O-N 2.87Å; S240-R272 PolarHBondContact O-NH2 2.91Å; S240-R272 VanDerWaalsContact O-NH2 3.17Å; V242-R272 VanDerWaalsContact O-CZ 3.26Å; V242-R272 PolarHBondContact O-NH1 3.14Å; V242-R272 PolarHBondContact O-NH2 3.43Å; S244-R272 VanDerWaalsContact OG-CD 3.29Å; S244-R272 WeakPolarHBondContact OG-CD 3.43Å; S244-R272 PolarHBondContact OG-NH1 2.95Å; N261-R272 CarbonylContact O-C 3.52Å; N261-R272 WeakPolarHBondContact O-CA 3.35Å; Y270-R272 HydrophobicContact CE1-CB 3.85Å; Y270-R272 PolarHBondContact OH-NE 2.98Å; Y270-R272 VanDerWaalsContact OH-NE 3.1Å; Y270-R272 PolarHBondContact OH-NH2 3.05Å; R272-E274 WeakPolarHBondContact CD-OE1 3.49Å; R272-E274 HydrophobicContact CG-CG 4.18Å
273	Q	96.3	Very high	93	Very high	56 Å²	56	51.7 Å²	51.7	26%	0.262	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	121.7	176.5	-175.2	-177.4	-11.9	0	0	109.4	T232 C233 L234 K260 N261 W263	T232-Q273 HydrophobicContact CG2-CG 3.27Å; T232-Q273 VanDerWaalsContact CG2-NE2 3.31Å; C233-Q273 CarbonylContact O-C 3.57Å; C233-Q273 VanDerWaalsContact O-CA 3.32Å; C233-Q273 WeakPolarHBondContact O-CA 3.48Å; L234-Q273 HydrophobicContact CD2-CB 3.96Å; L234-Q273 HydrophobicContact CD2-CG 3.87Å; K260-Q273 CarbonylContact C-O 3.59Å; K260-Q273 WeakPolarHBondContact CA-O 3.39Å; N261-Q273 PolarHBondContact N-O 2.66Å; N261-Q273 PolarHBondContact O-N 3.27Å; W263-Q273 HydrophobicContact CH2-CB 3.79Å; W263-Q273 HydrophobicContact CZ3-CB 3.94Å
274	E	95.6	Very high	92.8	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	108.9	177.6	-59.7	-158.7	177.8	0	0	110.9	C233 I235 S244 W246 T258 K259 K260 R272	C233-E274 PolarHBondContact N-O 2.96Å; C233-E274 PolarHBondContact O-N 2.84Å; I235-E274 HydrophobicContact CD1-CG 4.14Å; S244-E274 WeakPolarHBondContact CB-OE1 3.4Å; S244-E274 PolarHBondContact OG-OE1 3.12Å; W246-E274 PolarHBondContact NE1-O 3.14Å; W246-E274 VanDerWaalsContact NE1-O 3.16Å; T258-E274 HydrophobicContact CG2-CB 4.49Å; K259-E274 CarbonylContact O-C 3.54Å; K259-E274 WeakPolarHBondContact O-CA 3.39Å; K260-E274 HydrophobicContact CB-CG 4.49Å; K260-E274 HydrophobicContact CD-CG 4.22Å; K260-E274 WeakPolarHBondContact CD-OE1 3.41Å; K260-E274 VanDerWaalsContact CE-CD 3.47Å; K260-E274 WeakPolarHBondContact CE-OE1 3.32Å; K260-E274 WeakPolarHBondContact CE-OE2 3.33Å; K260-E274 HydrophobicContact CG-CG 3.96Å; K260-E274 IonicContact NZ-OE1 3.73Å; K260-E274 PolarHBondContact NZ-OE1 3.33Å; K260-E274 IonicContact NZ-OE2 2.67Å; K260-E274 PolarHBondContact NZ-OE2 2.7Å; R272-E274 WeakPolarHBondContact CD-OE1 3.49Å; R272-E274 HydrophobicContact CG-CG 4.18Å
275	R	96.4	Very high	92.8	Very high	111 Å²	111	46.7 Å²	46.7	42%	0.419	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	122.3	178.8	-174	174.3	178.5	-168.1	-4.4	110.9	E228 V231 T258 K259	E228-R275 IonicContact OE1-NH2 3.03Å; V231-R275 CarbonylContact O-C 3.59Å; V231-R275 WeakPolarHBondContact O-CA 3.37Å; T258-R275 CarbonylContact C-O 3.55Å; T258-R275 VanDerWaalsContact CA-O 3.29Å; T258-R275 WeakPolarHBondContact CA-O 3.32Å; K259-R275 PolarHBondContact N-O 3.36Å; K259-R275 PolarHBondContact O-N 3.38Å
276	L	95.1	Very high	93.1	Very high	6 Å²	6	43.8 Å²	43.8	3%	0.031	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	132	173.2	-175.4	75.6	0	0	0	109.6	F229 A230 V231 W246 A256 Q257 F289	F229-L276 HydrophobicContact CE1-CD2 4.09Å; A230-L276 WeakPolarHBondContact CA-O 3.34Å; V231-L276 HydrophobicContact CG1-CB 3.86Å; V231-L276 HydrophobicContact CG1-CD2 4.11Å; V231-L276 PolarHBondContact N-O 3.41Å; V231-L276 PolarHBondContact O-N 3.1Å; W246-L276 HydrophobicContact CB-CD1 4.28Å; W246-L276 HydrophobicContact CD2-CB 4.1Å; W246-L276 HydrophobicContact CD2-CD2 4.14Å; W246-L276 HydrophobicContact CE3-CD2 4.15Å; W246-L276 HydrophobicContact CG-CB 4.24Å; W246-L276 HydrophobicContact CG-CD1 4.22Å; W246-L276 HydrophobicContact CG-CD2 4.42Å; W246-L276 HydrophobicContact CZ2-CB 4.23Å; A256-L276 HydrophobicContact CB-CD1 3.54Å; A256-L276 HydrophobicContact CB-CG 4.17Å; Q257-L276 CarbonylContact O-C 3.3Å; Q257-L276 WeakPolarHBondContact O-CA 3.09Å; L276-F289 HydrophobicContact CD2-CB 4.37Å; L276-F289 HydrophobicContact CD2-CD1 3.47Å; L276-F289 VanDerWaalsContact CD2-CD1 3.47Å; L276-F289 HydrophobicContact CD2-CE1 3.91Å; L276-F289 HydrophobicContact CD2-CG 4.03Å
277	T	95.2	Very high	93.3	Very high	21 Å²	21	43.1 Å²	43.1	13%	0.129	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	136	-179.3	-58.8	0	0	0	0	112.2	E228 F229 A230 A256 Q257	E228-T277 HydrophobicContact CG-CG2 3.98Å; F229-T277 CarbonylContact O-C 3.51Å; F229-T277 VanDerWaalsContact O-CA 3.27Å; F229-T277 WeakPolarHBondContact O-CA 3.33Å; A230-T277 HydrophobicContact CB-CG2 4.42Å; A256-T277 WeakPolarHBondContact CA-O 3.48Å; Q257-T277 PolarHBondContact N-O 3.46Å; Q257-T277 PolarHBondContact O-N 2.96Å
278	I	94.8	Very high	93.5	Very high	6 Å²	6	41.1 Å²	41.1	3%	0.031	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	107.5	166.2	-56.5	176.5	0	0	0	106.8	E228 F229 A256 S280 A281 D285 F289	E228-I278 WeakPolarHBondContact CA-O 3.19Å; F229-I278 HydrophobicContact CB-CB 4.22Å; F229-I278 HydrophobicContact CD1-CB 4.35Å; F229-I278 HydrophobicContact CD1-CD1 3.8Å; F229-I278 HydrophobicContact CD1-CG1 3.98Å; F229-I278 HydrophobicContact CE1-CD1 4.45Å; F229-I278 PolarHBondContact N-O 3.3Å; F229-I278 PolarHBondContact O-N 3.36Å; A256-I278 HydrophobicContact CB-CD1 4.49Å; A256-I278 HydrophobicContact CB-CG1 3.92Å; I278-S280 PolarHBondContact O-N 2.86Å; I278-A281 HydrophobicContact CG2-CB 4.49Å; I278-D285 HydrophobicContact CD1-CB 4.14Å; I278-F289 HydrophobicContact CD1-CZ 4Å
279	S	91.8	Very high	93.6	Very high	76 Å²	76	38.9 Å²	38.9	53%	0.531	21%	0.214	S	C	.	.	S	Bend	trans	-63.7	-25.5	-170.8	-51.2	0	0	0	0	114.6
280	S	92.8	Very high	93.7	Very high	68 Å²	68	38.9 Å²	38.9	48%	0.476	21%	0.21	S	C	.	.	S	Bend	trans	-148.3	99.1	177.1	-169.9	0	0	0	0	108.2	G226 I278	G226-S280 WeakPolarHBondContact CA-OG 3.43Å; G226-S280 PolarHBondContact O-OG 3.14Å; I278-S280 PolarHBondContact O-N 2.86Å
281	A	92.7	Very high	93.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.208	C	C	.	.			trans	-76.8	134.2	-173.6	0	0	0	0	0	110.9	L223 G226 E227 F229 I278 V308	L223-A281 HydrophobicContact CD1-CB 4.38Å; G226-A281 PolarHBondContact N-O 2.92Å; E227-A281 WeakPolarHBondContact O-CB 3.47Å; E227-A281 PolarHBondContact O-N 3.1Å; F229-A281 HydrophobicContact CB-CB 4.37Å; I278-A281 HydrophobicContact CG2-CB 4.49Å; A281-V308 HydrophobicContact CB-CG2 3.88Å
282	R	93	Very high	93.8	Very high	111 Å²	111	41 Å²	41	42%	0.419	22%	0.218	S	C	.	.			trans	-108.9	161.7	175.6	-66	175.7	-65.8	175.1	4.4	110.7	N284 D285	R282-N284 VanDerWaalsContact CB-OD1 3.28Å; R282-N284 WeakPolarHBondContact CB-OD1 3.43Å; R282-N284 PolarHBondContact O-N 3.28Å; R282-N284 VanDerWaalsContact O-N 3.09Å; R282-D285 PolarHBondContact N-OD2 2.83Å; R282-D285 IonicContact NE-OD2 3.46Å; R282-D285 WeakPolarHBondContact O-CB 3.12Å; R282-D285 PolarHBondContact O-N 3.48Å
283	V	91.5	Very high	93.8	Very high	70 Å²	70	39.5 Å²	39.5	42%	0.424	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-53.8	-35.7	178.8	-178.1	0	0	0	0	112.1	D285 S286 D310	V283-D285 VanDerWaalsContact C-N 3.3Å; V283-D285 PolarHBondContact O-N 2.65Å; V283-S286 VanDerWaalsContact O-CB 3.27Å; V283-S286 WeakPolarHBondContact O-CB 3.45Å; V283-S286 PolarHBondContact O-N 3.35Å; V283-S286 PolarHBondContact O-OG 2.73Å; V283-D310 HydrophobicContact CG2-CB 4.33Å
284	N	89.6	Confident	93.9	Very high	97 Å²	97	39.4 Å²	39.4	52%	0.519	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-73.6	-14.8	177.6	70	-2	0	0	0	115	K248 R282	K248-N284 PolarHBondContact NZ-O 3.16Å; R282-N284 VanDerWaalsContact CB-OD1 3.28Å; R282-N284 WeakPolarHBondContact CB-OD1 3.43Å; R282-N284 PolarHBondContact O-N 3.28Å; R282-N284 VanDerWaalsContact O-N 3.09Å
285	D	91.4	Very high	93.8	Very high	7 Å²	7	40 Å²	40	4%	0.037	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-77.3	-16.8	176.9	-67.5	-48.7	0	0	0	111.3	K248 I278 R282 V283 L306	K248-D285 PolarHBondContact NZ-O 3.17Å; I278-D285 HydrophobicContact CD1-CB 4.14Å; R282-D285 PolarHBondContact N-OD2 2.83Å; R282-D285 IonicContact NE-OD2 3.46Å; R282-D285 WeakPolarHBondContact O-CB 3.12Å; R282-D285 PolarHBondContact O-N 3.48Å; V283-D285 VanDerWaalsContact C-N 3.3Å; V283-D285 PolarHBondContact O-N 2.65Å; D285-L306 HydrophobicContact CB-CD2 4.46Å
286	S	92.5	Very high	93.6	Very high	34 Å²	34	40.7 Å²	40.7	24%	0.238	23%	0.234	C	C	.	.			trans	-49.9	153.1	173.7	-53.9	0	0	0	0	113.2	K248 V283 L306 V308	K248-S286 PolarHBondContact NZ-O 2.67Å; V283-S286 VanDerWaalsContact O-CB 3.27Å; V283-S286 WeakPolarHBondContact O-CB 3.45Å; V283-S286 PolarHBondContact O-N 3.35Å; V283-S286 PolarHBondContact O-OG 2.73Å; S286-L306 CarbonylContact C-O 3.36Å; S286-L306 WeakPolarHBondContact CA-O 3.43Å; S286-L306 WeakPolarHBondContact CB-O 3.37Å; S286-V308 PolarHBondContact OG-N 2.86Å
287	G	92.1	Very high	93.5	Very high	28 Å²	28	46.2 Å²	46.2	29%	0.289	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	131.1	-169.4	-179.6	0	0	0	0	0	113	L306	G287-L306 PolarHBondContact N-O 2.78Å; G287-L306 PolarHBondContact O-N 3.07Å
288	V	93.8	Very high	93.3	Very high	32 Å²	32	46.1 Å²	46.1	19%	0.194	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	128.5	-175.3	-175.1	0	0	0	0	110.9	E249 T303	E249-V288 HydrophobicContact CB-CB 4.17Å; E249-V288 PolarHBondContact N-O 3.13Å; E249-V288 WeakPolarHBondContact OE2-CB 3.02Å; E249-V288 WeakPolarHBondContact OE2-CG2 3.45Å; V288-T303 HydrophobicContact CG1-CG2 3.83Å
289	F	94	Very high	93.4	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.018	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	133.3	170.8	-65.5	-94.8	0	0	0	109.4	F229 W246 I247 K248 T254 L276 I278 T303 T304 L306	F229-F289 AromaticContact CE1-CD2 3.95Å; F229-F289 HydrophobicContact CE1-CD2 3.95Å; F229-F289 AromaticContact CE1-CE2 3.83Å; F229-F289 HydrophobicContact CE1-CE2 3.83Å; F229-F289 HydrophobicContact CE1-CG 4.38Å; F229-F289 HydrophobicContact CE1-CZ 4.15Å; F229-F289 HydrophobicContact CZ-CD2 4.07Å; F229-F289 HydrophobicContact CZ-CE2 4.32Å; W246-F289 HydrophobicContact CE3-CB 4.2Å; W246-F289 HydrophobicContact CZ3-CB 4.08Å; I247-F289 CarbonylContact O-C 3.59Å; I247-F289 WeakPolarHBondContact O-CA 3.49Å; K248-F289 HydrophobicContact CB-CD1 4.27Å; K248-F289 HydrophobicContact CB-CE1 4.26Å; K248-F289 HydrophobicContact CD-CE1 4.13Å; K248-F289 HydrophobicContact CD-CZ 4.12Å; K248-F289 HydrophobicContact CG-CE1 4.33Å; T254-F289 HydrophobicContact CG2-CZ 4.35Å; L276-F289 HydrophobicContact CD2-CB 4.37Å; L276-F289 HydrophobicContact CD2-CD1 3.47Å; L276-F289 VanDerWaalsContact CD2-CD1 3.47Å; L276-F289 HydrophobicContact CD2-CE1 3.91Å; L276-F289 HydrophobicContact CD2-CG 4.03Å; I278-F289 HydrophobicContact CD1-CZ 4Å; F289-T303 CarbonylContact O-C 3.58Å; F289-T303 VanDerWaalsContact O-CA 3.28Å; F289-T303 WeakPolarHBondContact O-CA 3.38Å; F289-T304 HydrophobicContact CB-CG2 3.78Å; F289-T304 PolarHBondContact N-O 2.76Å; F289-T304 PolarHBondContact O-N 3.05Å; F289-L306 HydrophobicContact CD2-CB 4.35Å; F289-L306 HydrophobicContact CE2-CB 4.03Å; F289-L306 HydrophobicContact CE2-CD2 4.04Å
290	M	94.4	Very high	93.6	Very high	45 Å²	45	46 Å²	46	22%	0.222	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	123.5	-176.7	-177.1	171.9	64.9	0	0	109.6	W246 I247 N301 V302 T303	W246-M290 CarbonylContact C-O 3.43Å; W246-M290 WeakPolarHBondContact CA-O 3.3Å; I247-M290 HydrophobicContact CB-CB 4.4Å; I247-M290 HydrophobicContact CB-CE 4.11Å; I247-M290 HydrophobicContact CD1-CE 3.8Å; I247-M290 HydrophobicContact CG2-CE 4.18Å; I247-M290 PolarHBondContact N-O 3.29Å; I247-M290 PolarHBondContact O-N 3.21Å; M290-N301 HydrophobicContact CG-CB 3.87Å; M290-N301 HydrophobicContact SD-CB 3.79Å; M290-N301 PolarHBondContact SD-ND2 2.88Å; M290-N301 VanDerWaalsContact SD-ND2 3.39Å; M290-V302 CarbonylContact C-O 3.56Å; M290-V302 WeakPolarHBondContact CA-O 3.41Å; M290-T303 HydrophobicContact CB-CG2 4.03Å; M290-T303 HydrophobicContact CG-CG2 4.05Å
291	C	95.6	Very high	93.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	123.6	165.3	-175.9	0	0	0	0	108.7	V214 V216 C233 W246 N301 V302	V214-C291 HydrophobicContact CG1-CB 4.3Å; V216-C291 HydrophobicContact CG1-CB 4.33Å; C233-C291 HydrophobicContact CB-CB 3.58Å; C233-C291 WeakPolarHBondContact CB-SG 3.45Å; C233-C291 WeakPolarHBondContact SG-CB 3.34Å; C233-C291 CovalentContact SG-SG 2.01Å; C233-C291 PolarHBondContact SG-SG 3.45Å; W246-C291 HydrophobicContact CD2-CB 4.29Å; W246-C291 HydrophobicContact CE3-CB 4.05Å; W246-C291 HydrophobicContact CH2-CB 4.01Å; W246-C291 HydrophobicContact CZ2-CB 4.24Å; W246-C291 HydrophobicContact CZ3-CB 3.9Å; C291-N301 CarbonylContact O-C 3.57Å; C291-N301 WeakPolarHBondContact O-CA 3.49Å; C291-V302 HydrophobicContact CB-CG1 3.92Å; C291-V302 PolarHBondContact N-O 3.07Å; C291-V302 PolarHBondContact O-N 3.3Å
292	Y	95.4	Very high	93.8	Very high	57 Å²	57	49.1 Å²	49.1	22%	0.224	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	136	-177.4	176.4	-95.5	0	0	0	110	S244 M245 I247 N294 S299 N301	S244-Y292 CarbonylContact C-O 3.58Å; S244-Y292 WeakPolarHBondContact CA-O 3.36Å; S244-Y292 WeakPolarHBondContact CB-O 3.3Å; M245-Y292 HydrophobicContact CG-CD1 4.12Å; M245-Y292 PolarHBondContact N-O 3.4Å; M245-Y292 PolarHBondContact O-N 3.07Å; I247-Y292 HydrophobicContact CD1-CG 4.36Å; Y292-N294 HydrophobicContact CE1-CB 3.75Å; Y292-S299 WeakPolarHBondContact OH-CB 3.39Å; Y292-S299 PolarHBondContact OH-OG 3.41Å; Y292-N301 HydrophobicContact CD2-CB 4.26Å
293	A	96.8	Very high	93.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	145.5	172.5	0	0	0	0	0	111.4	P212 V214 I235 V242 D243 S299 A300	P212-A293 HydrophobicContact CB-CB 3.87Å; P212-A293 HydrophobicContact CG-CB 4.07Å; V214-A293 HydrophobicContact CG2-CB 3.48Å; V214-A293 VanDerWaalsContact CG2-CB 3.48Å; I235-A293 HydrophobicContact CG1-CB 4.29Å; I235-A293 HydrophobicContact CG2-CB 3.81Å; V242-A293 HydrophobicContact CG2-CB 4.23Å; D243-A293 CarbonylContact O-C 3.58Å; D243-A293 WeakPolarHBondContact O-CA 3.38Å; A293-S299 CarbonylContact O-C 3.55Å; A293-S299 VanDerWaalsContact O-CA 3.25Å; A293-S299 WeakPolarHBondContact O-CA 3.04Å; A293-A300 PolarHBondContact N-O 2.95Å; A293-A300 PolarHBondContact O-N 3.3Å
294	N	96.5	Very high	94	Very high	54 Å²	54	43.9 Å²	43.9	29%	0.289	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	138.2	-177.1	-176.4	29.4	0	0	0	111.5	D243 Y292 G298 S299	D243-N294 PolarHBondContact N-O 3.46Å; D243-N294 PolarHBondContact O-N 2.93Å; Y292-N294 HydrophobicContact CE1-CB 3.75Å; N294-G298 PolarHBondContact OD1-O 2.89Å; N294-S299 PolarHBondContact OD1-OG 3.03Å
295	N	94.1	Very high	94.2	Very high	12 Å²	12	42.3 Å²	42.3	6%	0.064	25%	0.249	C	C	.	.			trans	-133.9	-178	172.1	72.2	21	0	0	0	110.5	I208 A210 P212 D237 F297 G298	I208-N295 HydrophobicContact CD1-CB 4.31Å; I208-N295 HydrophobicContact CG2-CB 4.19Å; I208-N295 VanDerWaalsContact CG2-CG 3.5Å; I208-N295 VanDerWaalsContact CG2-ND2 3.33Å; I208-N295 WeakPolarHBondContact CG2-ND2 3.29Å; A210-N295 PolarHBondContact O-ND2 3.29Å; A210-N295 PolarHBondContact O-OD1 2.77Å; P212-N295 WeakPolarHBondContact CD-ND2 3.37Å; P212-N295 HydrophobicContact CG-CB 3.99Å; D237-N295 WeakPolarHBondContact OD2-CB 3.06Å; D237-N295 PolarHBondContact OD2-ND2 2.86Å; N295-F297 PolarHBondContact O-N 2.87Å; N295-F297 VanDerWaalsContact O-N 3.12Å; N295-F297 WeakPolarHBondContact OD1-CA 3.41Å; N295-F297 WeakPolarHBondContact OD1-CB 3.49Å; N295-F297 PolarHBondContact OD1-N 2.72Å; N295-G298 PolarHBondContact N-O 2.74Å; N295-G298 PolarHBondContact O-N 3.1Å; N295-G298 PolarHBondContact OD1-N 3.05Å; N295-G298 PolarHBondContact OD1-O 2.82Å
296	T	92	Very high	94.3	Very high	126 Å²	126	42.1 Å²	42.1	77%	0.773	25%	0.248	S	C	*	.	S	Bend	trans	-68.1	-12	-175.9	59.8	0	0	0	0	114.2	I208	I208-T296 HydrophobicContact CD1-CG2 4.45Å; I208-T296 WeakPolarHBondContact CD1-OG1 3.05Å
297	F	92.5	Very high	94.4	Very high	123 Å²	123	46 Å²	46	54%	0.539	26%	0.262	S	S	.	.	S	Bend	trans	-93.4	-39.4	176.7	-176.5	-86.8	0	0	0	111.6	I208 K209 V211 N295	I208-F297 HydrophobicContact CG2-CB 3.8Å; K209-F297 VanDerWaalsContact C-CD2 3.45Å; K209-F297 VanDerWaalsContact O-CE2 3.27Å; K209-F297 WeakPolarHBondContact O-CE2 3.37Å; K209-F297 WeakPolarHBondContact O-CZ 3.5Å; V211-F297 HydrophobicContact CG1-CD1 3.8Å; V211-F297 HydrophobicContact CG1-CE1 4.17Å; N295-F297 PolarHBondContact O-N 2.87Å; N295-F297 VanDerWaalsContact O-N 3.12Å; N295-F297 WeakPolarHBondContact OD1-CA 3.41Å; N295-F297 WeakPolarHBondContact OD1-CB 3.49Å; N295-F297 PolarHBondContact OD1-N 2.72Å
298	G	92.9	Very high	94.5	Very high	19 Å²	19	44.9 Å²	44.9	20%	0.196	25%	0.25	C	S	.	.			trans	172.2	-165.9	173.1	0	0	0	0	0	113.7	P212 N294 N295	P212-G298 WeakPolarHBondContact CD-O 3.05Å; N294-G298 PolarHBondContact OD1-O 2.89Å; N295-G298 PolarHBondContact N-O 2.74Å; N295-G298 PolarHBondContact O-N 3.1Å; N295-G298 PolarHBondContact OD1-N 3.05Å; N295-G298 PolarHBondContact OD1-O 2.82Å
299	S	95.8	Very high	94.4	Very high	57 Å²	57	44.4 Å²	44.4	40%	0.399	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	153	-173.4	-47.9	0	0	0	0	112.7	Y292 A293 N294	Y292-S299 WeakPolarHBondContact OH-CB 3.39Å; Y292-S299 PolarHBondContact OH-OG 3.41Å; A293-S299 CarbonylContact O-C 3.55Å; A293-S299 VanDerWaalsContact O-CA 3.25Å; A293-S299 WeakPolarHBondContact O-CA 3.04Å; N294-S299 PolarHBondContact OD1-OG 3.03Å
300	A	95.5	Very high	94.3	Very high	21 Å²	21	50 Å²	50	17%	0.174	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	148.7	172.2	0	0	0	0	0	110.1	P212 V214 A293	P212-A300 WeakPolarHBondContact O-CB 3.18Å; V214-A300 HydrophobicContact CG2-CB 3.8Å; A293-A300 PolarHBondContact N-O 2.95Å; A293-A300 PolarHBondContact O-N 3.3Å
301	N	94.5	Very high	94	Very high	99 Å²	99	53.6 Å²	53.6	53%	0.529	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	159	177.3	61.5	12.7	0	0	0	111.9	M290 C291 Y292	M290-N301 HydrophobicContact CG-CB 3.87Å; M290-N301 HydrophobicContact SD-CB 3.79Å; M290-N301 PolarHBondContact SD-ND2 2.88Å; M290-N301 VanDerWaalsContact SD-ND2 3.39Å; C291-N301 CarbonylContact O-C 3.57Å; C291-N301 WeakPolarHBondContact O-CA 3.49Å; Y292-N301 HydrophobicContact CD2-CB 4.26Å
302	V	95.5	Very high	93.8	Very high	36 Å²	36	53.9 Å²	53.9	22%	0.218	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	142.7	174.4	64.8	0	0	0	0	108.9	V214 V216 M290 C291	V214-V302 HydrophobicContact CB-CG1 4.39Å; V214-V302 HydrophobicContact CG1-CG1 3.65Å; V216-V302 HydrophobicContact CB-CG1 4.39Å; V216-V302 HydrophobicContact CG1-CG1 3.52Å; V216-V302 HydrophobicContact CG2-CG1 4.33Å; V216-V302 HydrophobicContact CG2-CG2 3.76Å; M290-V302 CarbonylContact C-O 3.56Å; M290-V302 WeakPolarHBondContact CA-O 3.41Å; C291-V302 HydrophobicContact CB-CG1 3.92Å; C291-V302 PolarHBondContact N-O 3.07Å; C291-V302 PolarHBondContact O-N 3.3Å
303	T	95.2	Very high	93.7	Very high	70 Å²	70	53.6 Å²	53.6	43%	0.429	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	154.5	-174.8	53.4	0	0	0	0	112.6	V288 F289 M290	V288-T303 HydrophobicContact CG1-CG2 3.83Å; F289-T303 CarbonylContact O-C 3.58Å; F289-T303 VanDerWaalsContact O-CA 3.28Å; F289-T303 WeakPolarHBondContact O-CA 3.38Å; M290-T303 HydrophobicContact CB-CG2 4.03Å; M290-T303 HydrophobicContact CG-CG2 4.05Å
304	T	94.2	Very high	93.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	135.7	170.8	-172.9	0	0	0	0	108.9	K218 T219 F229 V231 W246 F289	K218-T304 WeakPolarHBondContact O-CB 3.43Å; K218-T304 PolarHBondContact O-OG1 2.58Å; T219-T304 CarbonylContact O-C 3.5Å; T219-T304 VanDerWaalsContact O-CA 3.29Å; T219-T304 WeakPolarHBondContact O-CA 3.38Å; T219-T304 PolarHBondContact O-OG1 3.46Å; F229-T304 HydrophobicContact CZ-CG2 4.44Å; V231-T304 HydrophobicContact CG1-CG2 4.17Å; V231-T304 HydrophobicContact CG2-CG2 4.02Å; W246-T304 HydrophobicContact CH2-CG2 4.28Å; W246-T304 HydrophobicContact CZ3-CG2 4.07Å; F289-T304 HydrophobicContact CB-CG2 3.78Å; F289-T304 PolarHBondContact N-O 2.76Å; F289-T304 PolarHBondContact O-N 3.05Å
305	T	93.9	Very high	93.6	Very high	65 Å²	65	55.2 Å²	55.2	40%	0.399	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.7	-177.4	-55	0	0	0	0	110.1	T219 S220 Y221	T219-T305 PolarHBondContact O-N 3.14Å; S220-T305 CarbonylContact C-O 3.57Å; S220-T305 WeakPolarHBondContact CA-O 3.42Å; Y221-T305 PolarHBondContact N-O 3.26Å
306	L	93.9	Very high	93.7	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.01	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.2	172.1	173.9	63.9	0	0	0	109.5	L223 F229 D285 S286 G287 F289 V308	L223-L306 HydrophobicContact CD1-CD1 3.8Å; L223-L306 HydrophobicContact CG-CD1 4.08Å; F229-L306 HydrophobicContact CB-CD1 4.3Å; F229-L306 HydrophobicContact CB-CD2 4.14Å; F229-L306 HydrophobicContact CD1-CD2 3.76Å; F229-L306 HydrophobicContact CD2-CD1 3.79Å; F229-L306 HydrophobicContact CD2-CD2 4.23Å; F229-L306 HydrophobicContact CD2-CG 4.42Å; F229-L306 HydrophobicContact CE1-CD2 4.14Å; F229-L306 HydrophobicContact CE2-CB 4.31Å; F229-L306 HydrophobicContact CE2-CD1 4.27Å; F229-L306 HydrophobicContact CG-CD1 4.05Å; F229-L306 HydrophobicContact CG-CD2 3.79Å; F229-L306 HydrophobicContact CG-CG 4.45Å; F229-L306 HydrophobicContact CZ-CB 4.33Å; D285-L306 HydrophobicContact CB-CD2 4.46Å; S286-L306 CarbonylContact C-O 3.36Å; S286-L306 WeakPolarHBondContact CA-O 3.43Å; S286-L306 WeakPolarHBondContact CB-O 3.37Å; G287-L306 PolarHBondContact N-O 2.78Å; G287-L306 PolarHBondContact O-N 3.07Å; F289-L306 HydrophobicContact CD2-CB 4.35Å; F289-L306 HydrophobicContact CE2-CB 4.03Å; F289-L306 HydrophobicContact CE2-CD2 4.04Å; L306-V308 HydrophobicContact CD1-CG2 3.89Å; L306-V308 HydrophobicContact CD2-CG2 4.05Å; L306-V308 HydrophobicContact CG-CG2 3.85Å
307	E	93.5	Very high	93.9	Very high	115 Å²	115	54 Å²	54	54%	0.537	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	124	168.4	-174.3	176.3	177.9	0	0	109	Y221 L222 L223	Y221-E307 PolarHBondContact O-N 3.02Å; L222-E307 WeakPolarHBondContact CA-O 3.47Å; L222-E307 HydrophobicContact CD1-CB 4.01Å; L222-E307 HydrophobicContact CD1-CG 3.87Å; L223-E307 PolarHBondContact N-O 3.09Å
308	V	93.4	Very high	94	Very high	6 Å²	6	50.8 Å²	50.8	4%	0.036	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	121.3	178.5	-175.9	0	0	0	0	108.9	L223 E225 A281 S286 L306	L223-V308 CarbonylContact O-C 3.59Å; L223-V308 VanDerWaalsContact O-CA 3.31Å; L223-V308 WeakPolarHBondContact O-CA 3.34Å; E225-V308 HydrophobicContact CB-CG1 4.11Å; A281-V308 HydrophobicContact CB-CG2 3.88Å; S286-V308 PolarHBondContact OG-N 2.86Å; L306-V308 HydrophobicContact CD1-CG2 3.89Å; L306-V308 HydrophobicContact CD2-CG2 4.05Å; L306-V308 HydrophobicContact CG-CG2 3.85Å
309	V	93.2	Very high	94	Very high	21 Å²	21	54.1 Å²	54.1	13%	0.127	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	143.9	176.9	-65.8	0	0	0	0	110.9	L222 L223 R224 E225 Y341	L222-V309 HydrophobicContact CD1-CG1 3.93Å; L222-V309 HydrophobicContact CD1-CG2 4.37Å; L223-V309 PolarHBondContact O-N 3.02Å; R224-V309 CarbonylContact C-O 3.52Å; R224-V309 WeakPolarHBondContact CA-O 3.16Å; E225-V309 PolarHBondContact N-O 2.97Å; V309-Y341 HydrophobicContact CG2-CD1 3.87Å; V309-Y341 HydrophobicContact CG2-CE1 3.85Å
310	D	91	Very high	93.8	Very high	123 Å²	123	54.3 Å²	54.3	66%	0.658	29%	0.286	S	S	*	.	S	Bend	trans	-70.4	-35.4	179	59.2	-11.2	0	0	0	112.4	V283	V283-D310 HydrophobicContact CG2-CB 4.33Å
311	K	89.6	Confident	93.6	Very high	120 Å²	120	59.7 Å²	59.7	52%	0.522	31%	0.312	S	S	.	.	S	Bend	trans	-143.3	153.6	179.4	-165.2	178.5	177.3	-173	0	111.6	D399	K311-D399 HydrophobicContact CG-CB 4.3Å
312	G	89.9	Confident	93.6	Very high	6 Å²	6	57.8 Å²	57.8	6%	0.062	30%	0.304	C	S	.	.			trans	-64.1	157.4	169.1	0	0	0	0	0	114.1	Y341 D399 V400	G312-Y341 CarbonylContact C-O 3.44Å; G312-Y341 VanDerWaalsContact C-O 3.29Å; G312-Y341 WeakPolarHBondContact CA-O 3.49Å; G312-D399 VanDerWaalsContact CA-OD2 3.31Å; G312-D399 WeakPolarHBondContact CA-OD2 3.46Å; G312-D399 PolarHBondContact N-OD2 2.97Å; G312-V400 WeakPolarHBondContact O-CG2 3.28Å
313	F	94	Very high	93.5	Very high	50 Å²	50	58.9 Å²	58.9	22%	0.219	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	156.4	-176.4	63.8	-89.9	0	0	0	112	L222 E339 A340 Y341 I372 N397	L222-F313 HydrophobicContact CD2-CE1 4.45Å; F313-E339 HydrophobicContact CE2-CB 4.15Å; F313-A340 WeakPolarHBondContact O-CA 3.5Å; F313-Y341 HydrophobicContact CE1-CG 4.5Å; F313-Y341 PolarHBondContact N-O 3.03Å; F313-Y341 PolarHBondContact O-N 3.48Å; F313-Y341 VanDerWaalsContact O-N 3.07Å; F313-I372 HydrophobicContact CZ-CD1 4.19Å; F313-N397 PolarHBondContact O-ND2 3.11Å
314	I	95.8	Very high	93.4	Very high	11 Å²	11	56 Å²	56	6%	0.056	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	121.2	168.3	-58	179.2	0	0	0	109.5	I316 E339 A340 V395 N397 V400	I314-I316 HydrophobicContact CG2-CG1 4.32Å; I314-E339 CarbonylContact C-O 3.59Å; I314-E339 WeakPolarHBondContact CA-O 3.42Å; I314-A340 HydrophobicContact CG1-CB 4.07Å; I314-V395 HydrophobicContact CD1-CG2 4.4Å; I314-V395 HydrophobicContact CG2-CG1 3.84Å; I314-N397 HydrophobicContact CD1-CB 4.02Å; I314-N397 HydrophobicContact CG1-CB 4.47Å; I314-V400 WeakPolarHBondContact CD1-O 3.35Å
315	N	95.5	Very high	93.2	Very high	77 Å²	77	62.1 Å²	62.1	41%	0.412	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	123.7	177.2	-62.3	-36.1	0	0	0	109.9	F317 Y338 E339	N315-F317 HydrophobicContact CB-CE2 3.96Å; N315-F317 HydrophobicContact CB-CZ 3.79Å; N315-F317 WeakPolarHBondContact O-CE2 3.37Å; N315-Y338 CarbonylContact O-C 3.57Å; N315-Y338 WeakPolarHBondContact O-CA 3.36Å; N315-Y338 WeakPolarHBondContact O-CB 3.47Å; N315-E339 PolarHBondContact N-O 2.72Å; N315-E339 PolarHBondContact O-N 3.36Å
316	I	96.3	Very high	93.1	Very high	32 Å²	32	59.2 Å²	59.2	16%	0.164	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	137.5	-177	-55.1	176.6	0	0	0	111	I314 V395 S402 V404	I314-I316 HydrophobicContact CG2-CG1 4.32Å; I316-V395 HydrophobicContact CD1-CG1 3.63Å; I316-V395 HydrophobicContact CG1-CG1 4.07Å; I316-S402 WeakPolarHBondContact CD1-OG 3.19Å; I316-V404 HydrophobicContact CG2-CB 4.1Å; I316-V404 HydrophobicContact CG2-CG1 3.74Å
317	F	96.1	Very high	92.9	Very high	80 Å²	80	61.7 Å²	61.7	35%	0.351	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	101.1	-178.2	-49.8	-78.9	0	0	0	110.2	N315 M319 E337 E339	N315-F317 HydrophobicContact CB-CE2 3.96Å; N315-F317 HydrophobicContact CB-CZ 3.79Å; N315-F317 WeakPolarHBondContact O-CE2 3.37Å; F317-M319 HydrophobicContact CB-CE 4.05Å; F317-M319 WeakPolarHBondContact O-CE 3.42Å; F317-E337 WeakPolarHBondContact CA-O 3.43Å; F317-E337 PolarHBondContact N-O 2.91Å; F317-E337 PolarHBondContact O-N 2.89Å; F317-E339 HydrophobicContact CE2-CG 4.11Å
318	P	94.4	Very high	92.6	Very high	57 Å²	57	60.3 Å²	60.3	37%	0.37	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	133.5	175.4	27.6	-32.4	0	0	0	110.8	M320 T322 V404 F406	P318-M320 VanDerWaalsContact C-N 3.33Å; P318-T322 HydrophobicContact CB-CG2 4.47Å; P318-T322 HydrophobicContact CG-CG2 4.49Å; P318-V404 HydrophobicContact CB-CG2 4.42Å; P318-V404 HydrophobicContact CG-CG2 4.49Å; P318-F406 HydrophobicContact CB-CE1 4.45Å; P318-F406 HydrophobicContact CB-CZ 3.95Å
319	M	91.8	Very high	92.3	Very high	88 Å²	88	62 Å²	62	43%	0.433	33%	0.331	S	S	.	.	S	Bend	trans	-86.6	-4.3	-177	-69.7	-66.6	125.2	0	0	114	F317 V335 E337	F317-M319 HydrophobicContact CB-CE 4.05Å; F317-M319 WeakPolarHBondContact O-CE 3.42Å; M319-V335 HydrophobicContact CB-CB 4.06Å; M319-V335 HydrophobicContact CB-CG1 4.02Å; M319-V335 HydrophobicContact CG-CB 4.43Å; M319-V335 HydrophobicContact CG-CG1 3.85Å; M319-V335 PolarHBondContact N-O 2.92Å; M319-E337 HydrophobicContact CE-CB 3.59Å; M319-E337 HydrophobicContact CE-CG 3.36Å; M319-E337 HydrophobicContact CG-CG 3.82Å; M319-E337 HydrophobicContact SD-CG 3.88Å
320	M	91.7	Very high	92.1	Very high	61 Å²	61	65.4 Å²	65.4	30%	0.3	35%	0.345	S	S	.	.	S	Bend	trans	-143.2	168.4	178.6	66.3	-171.3	-57.8	0	0	109.8	P318 T322 V324 V332 D333 L334 F406	P318-M320 VanDerWaalsContact C-N 3.33Å; M320-T322 PolarHBondContact O-N 3.04Å; M320-V324 HydrophobicContact CE-CB 4.42Å; M320-V324 HydrophobicContact CE-CG1 3.86Å; M320-V324 HydrophobicContact CE-CG2 3.61Å; M320-V324 HydrophobicContact SD-CG2 4.43Å; M320-V332 HydrophobicContact CE-CG2 4.31Å; M320-D333 VanDerWaalsContact SD-O 3.36Å; M320-L334 HydrophobicContact CE-CD2 4.32Å; M320-L334 HydrophobicContact SD-CD2 3.84Å; M320-F406 HydrophobicContact CG-CD1 4.31Å; M320-F406 HydrophobicContact CG-CE1 3.59Å; M320-F406 HydrophobicContact CG-CZ 4.48Å; M320-F406 HydrophobicContact SD-CE1 4.24Å
321	N	92.5	Very high	92.2	Very high	135 Å²	135	63.7 Å²	63.7	72%	0.722	34%	0.336	S	S	*	.			trans	-57.2	137.9	172.1	-80.9	-16	0	0	0	110.1	T323 V324	N321-T323 PolarHBondContact O-N 3.45Å; N321-V324 WeakPolarHBondContact O-CG2 3.43Å
322	T	94.1	Very high	92.3	Very high	59 Å²	59	59 Å²	59	36%	0.362	32%	0.317	S	S	.	.	S	Bend	trans	-69.7	0.4	176.2	54.1	0	0	0	0	112.9	P318 M320 V404 T405 F406 N407	P318-T322 HydrophobicContact CB-CG2 4.47Å; P318-T322 HydrophobicContact CG-CG2 4.49Å; M320-T322 PolarHBondContact O-N 3.04Å; T322-V404 HydrophobicContact CG2-CG2 4.37Å; T322-T405 WeakPolarHBondContact CB-O 3.38Å; T322-F406 HydrophobicContact CG2-CE1 4.5Å; T322-F406 CarbonylContact O-C 3.54Å; T322-F406 VanDerWaalsContact O-CA 3.27Å; T322-F406 WeakPolarHBondContact O-CA 3.45Å; T322-N407 PolarHBondContact O-N 2.81Å
323	T	93.9	Very high	92.4	Very high	58 Å²	58	60.8 Å²	60.8	36%	0.356	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	123	171.8	-58.1	0	0	0	0	108.9	N321 F325 N407 Y409	N321-T323 PolarHBondContact O-N 3.45Å; T323-F325 HydrophobicContact CG2-CE2 3.97Å; T323-F325 HydrophobicContact CG2-CZ 4.22Å; T323-N407 CarbonylContact C-O 3.53Å; T323-N407 WeakPolarHBondContact CA-O 3.34Å; T323-Y409 HydrophobicContact CG2-CD2 3.96Å; T323-Y409 HydrophobicContact CG2-CE2 3.7Å
324	V	92.2	Very high	92.4	Very high	11 Å²	11	58.4 Å²	58.4	7%	0.067	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	133.2	-167.2	-171.1	0	0	0	0	109.5	M320 N321 V326 V332 L334 F406 N407 V408 Y409	M320-V324 HydrophobicContact CE-CB 4.42Å; M320-V324 HydrophobicContact CE-CG1 3.86Å; M320-V324 HydrophobicContact CE-CG2 3.61Å; M320-V324 HydrophobicContact SD-CG2 4.43Å; N321-V324 WeakPolarHBondContact O-CG2 3.43Å; V324-V326 HydrophobicContact CG1-CG2 3.94Å; V324-V332 HydrophobicContact CG1-CG2 3.78Å; V324-L334 HydrophobicContact CG2-CD2 4.05Å; V324-F406 HydrophobicContact CG2-CD1 4.39Å; V324-N407 PolarHBondContact N-O 2.72Å; V324-V408 HydrophobicContact CB-CG2 4.38Å; V324-V408 CarbonylContact O-C 3.5Å; V324-V408 WeakPolarHBondContact O-CA 3.36Å; V324-Y409 PolarHBondContact O-N 3.38Å
325	F	91.3	Very high	92.4	Very high	127 Å²	127	59.2 Å²	59.2	56%	0.557	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	132.6	175.8	-62.6	-90.1	0	0	0	109.2	T323 Y409 F434	T323-F325 HydrophobicContact CG2-CE2 3.97Å; T323-F325 HydrophobicContact CG2-CZ 4.22Å; F325-Y409 WeakPolarHBondContact CA-O 3.34Å; F325-Y409 HydrophobicContact CD1-CD2 4.24Å; F325-Y409 HydrophobicContact CD1-CG 4.14Å; F325-Y409 AromaticContact CE1-CD2 3.79Å; F325-Y409 HydrophobicContact CE1-CD2 3.79Å; F325-Y409 AromaticContact CE1-CG 3.85Å; F325-Y409 HydrophobicContact CE1-CG 3.85Å; F325-Y409 HydrophobicContact CZ-CD2 4.06Å; F325-F434 HydrophobicContact CD1-CE1 4.48Å
326	V	90.7	Very high	92.4	Very high	5 Å²	5	55.5 Å²	55.5	3%	0.03	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	140.4	-173.4	-174.9	0	0	0	0	109.3	V324 E330 V332 V408 Y409 V410 N411	V324-V326 HydrophobicContact CG1-CG2 3.94Å; V326-E330 HydrophobicContact CG1-CB 3.7Å; V326-V332 HydrophobicContact CG2-CB 3.74Å; V326-V332 HydrophobicContact CG2-CG1 3.73Å; V326-V332 HydrophobicContact CG2-CG2 4.12Å; V326-V408 HydrophobicContact CG2-CG1 4.29Å; V326-Y409 PolarHBondContact N-O 3Å; V326-V410 CarbonylContact O-C 3.52Å; V326-V410 VanDerWaalsContact O-CA 3.24Å; V326-V410 WeakPolarHBondContact O-CA 3.39Å; V326-N411 PolarHBondContact O-N 2.86Å
327	N	90.4	Very high	92.4	Very high	54 Å²	54	55 Å²	55	29%	0.289	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	150.6	175.4	-53.8	-48.1	0	0	0	111.8	G329 E330 N411	N327-G329 PolarHBondContact O-N 2.93Å; N327-E330 VanDerWaalsContact CB-CD 3.49Å; N327-E330 HydrophobicContact CB-CG 4.02Å; N327-E330 WeakPolarHBondContact CB-OE2 3.17Å; N327-E330 PolarHBondContact N-OE2 2.98Å; N327-E330 PolarHBondContact ND2-OE1 3.02Å; N327-E330 PolarHBondContact ND2-OE2 3.41Å; N327-E330 VanDerWaalsContact O-CB 3.31Å; N327-E330 WeakPolarHBondContact O-CB 3.46Å; N327-E330 PolarHBondContact O-N 2.63Å; N327-N411 WeakPolarHBondContact OD1-CB 3.29Å; N327-N411 PolarHBondContact OD1-ND2 3.43Å
328	D	87.6	Confident	92.4	Very high	85 Å²	85	51.2 Å²	51.2	46%	0.455	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	122.4	176.3	-169	20.5	0	0	0	110.9	K384 G385 V410 N411 T412	D328-K384 WeakPolarHBondContact OD1-CA 3.27Å; D328-G385 PolarHBondContact OD1-N 3.34Å; D328-G385 VanDerWaalsContact OD1-N 3.08Å; D328-V410 HydrophobicContact CB-CG1 4.37Å; D328-N411 WeakPolarHBondContact CB-O 3.34Å; D328-N411 PolarHBondContact N-O 3.17Å; D328-T412 HydrophobicContact CB-CG2 4.03Å
329	G	86.1	Confident	92.4	Very high	43 Å²	43	50.8 Å²	50.8	44%	0.443	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.9	-8	-175.5	0	0	0	0	0	115.9	N327 L383	N327-G329 PolarHBondContact O-N 2.93Å; G329-L383 PolarHBondContact N-O 2.87Å
330	E	89.7	Confident	92.5	Very high	91 Å²	91	46.7 Å²	46.7	43%	0.425	25%	0.254	S	S	.	.			trans	-79.1	168.4	173.8	-69.2	179.4	171.1	0	0	112.4	V326 N327 R382 L383	V326-E330 HydrophobicContact CG1-CB 3.7Å; N327-E330 VanDerWaalsContact CB-CD 3.49Å; N327-E330 HydrophobicContact CB-CG 4.02Å; N327-E330 WeakPolarHBondContact CB-OE2 3.17Å; N327-E330 PolarHBondContact N-OE2 2.98Å; N327-E330 PolarHBondContact ND2-OE1 3.02Å; N327-E330 PolarHBondContact ND2-OE2 3.41Å; N327-E330 VanDerWaalsContact O-CB 3.31Å; N327-E330 WeakPolarHBondContact O-CB 3.46Å; N327-E330 PolarHBondContact O-N 2.63Å; E330-R382 CarbonylContact O-C 3.51Å; E330-R382 VanDerWaalsContact O-CA 3.28Å; E330-R382 WeakPolarHBondContact O-CA 3.45Å; E330-R382 PolarHBondContact O-N 2.63Å; E330-L383 WeakPolarHBondContact O-CD1 3.4Å; E330-L383 PolarHBondContact O-N 2.76Å
331	N	91.9	Very high	92.5	Very high	88 Å²	88	45.3 Å²	45.3	47%	0.471	25%	0.246	S	C	.	.			trans	-108.3	148.2	175.3	-53.7	-31.9	0	0	0	109.3	L380 T381 R382	N331-L380 CarbonylContact C-O 3.56Å; N331-L380 VanDerWaalsContact CA-O 3.27Å; N331-L380 WeakPolarHBondContact CA-O 3.32Å; N331-T381 WeakPolarHBondContact OD1-CA 3.32Å; N331-R382 PolarHBondContact OD1-N 2.93Å
332	V	91.7	Very high	92.4	Very high	20 Å²	20	40.2 Å²	40.2	12%	0.121	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	142.8	167.8	71.3	0	0	0	0	110.7	M320 V324 V326 L380 L383	M320-V332 HydrophobicContact CE-CG2 4.31Å; V324-V332 HydrophobicContact CG1-CG2 3.78Å; V326-V332 HydrophobicContact CG2-CB 3.74Å; V326-V332 HydrophobicContact CG2-CG1 3.73Å; V326-V332 HydrophobicContact CG2-CG2 4.12Å; V332-L380 HydrophobicContact CG1-CB 3.93Å; V332-L380 HydrophobicContact CG1-CD1 3.96Å; V332-L380 HydrophobicContact CG1-CG 4.4Å; V332-L380 PolarHBondContact N-O 2.78Å; V332-L380 WeakPolarHBondContact O-CA 3.46Å; V332-L380 WeakPolarHBondContact O-CB 3.37Å; V332-L380 PolarHBondContact O-N 3.42Å; V332-L383 HydrophobicContact CG1-CD1 4.16Å; V332-L383 HydrophobicContact CG1-CD2 4.22Å
333	D	93	Very high	92.3	Very high	45 Å²	45	45.1 Å²	45.1	24%	0.241	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	124.3	176.7	-56.1	-50.9	0	0	0	109.1	M320 L378 H379	M320-D333 VanDerWaalsContact SD-O 3.36Å; D333-L378 WeakPolarHBondContact CA-O 3.32Å; D333-H379 WeakPolarHBondContact OD1-CA 2.68Å; D333-H379 IonicContact OD1-CE1 3.99Å; D333-H379 IonicContact OD1-CG 2.71Å; D333-H379 IonicContact OD1-ND1 2.92Å; D333-H379 PolarHBondContact OD1-ND1 2.94Å
334	L	94.4	Very high	92.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	113.8	176.4	-52.2	-177.5	0	0	0	109.2	M320 V324 W349 E377 L378 L380 Y391 F406 V408	M320-L334 HydrophobicContact CE-CD2 4.32Å; M320-L334 HydrophobicContact SD-CD2 3.84Å; V324-L334 HydrophobicContact CG2-CD2 4.05Å; L334-W349 HydrophobicContact CB-CH2 3.85Å; L334-W349 HydrophobicContact CB-CZ2 4.49Å; L334-W349 HydrophobicContact CB-CZ3 4.37Å; L334-W349 HydrophobicContact CD1-CH2 4.5Å; L334-W349 HydrophobicContact CD1-CZ3 4.2Å; L334-E377 WeakPolarHBondContact O-CA 3.39Å; L334-L378 HydrophobicContact CB-CB 4.27Å; L334-L378 HydrophobicContact CD1-CD2 4.21Å; L334-L378 PolarHBondContact N-O 3.3Å; L334-L378 PolarHBondContact O-N 3.36Å; L334-L380 HydrophobicContact CD1-CD1 4.17Å; L334-L380 HydrophobicContact CG-CD1 4.34Å; L334-Y391 HydrophobicContact CD1-CG 4.11Å; L334-F406 HydrophobicContact CD1-CB 3.85Å; L334-F406 HydrophobicContact CD1-CD2 4.34Å; L334-F406 HydrophobicContact CD1-CG 4.04Å; L334-F406 HydrophobicContact CD2-CD1 4.15Å; L334-F406 HydrophobicContact CD2-CG 4.37Å; L334-V408 HydrophobicContact CD1-CG2 4.19Å; L334-V408 HydrophobicContact CD2-CG2 4.36Å
335	V	95	Very high	92.3	Very high	27 Å²	27	46.4 Å²	46.4	16%	0.164	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	130.2	-171.9	-177.2	0	0	0	0	111.5	M319 V375 E377	M319-V335 HydrophobicContact CB-CB 4.06Å; M319-V335 HydrophobicContact CB-CG1 4.02Å; M319-V335 HydrophobicContact CG-CB 4.43Å; M319-V335 HydrophobicContact CG-CG1 3.85Å; M319-V335 PolarHBondContact N-O 2.92Å; V335-V375 HydrophobicContact CG1-CG1 3.99Å; V335-E377 HydrophobicContact CB-CG 4.49Å; V335-E377 HydrophobicContact CG1-CG 4.1Å; V335-E377 HydrophobicContact CG2-CB 4.37Å; V335-E377 HydrophobicContact CG2-CG 3.96Å
336	V	95.9	Very high	92.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	131.7	175.6	-62.8	0	0	0	0	110.3	W349 V375 N376 F393 V404 F406	V336-W349 HydrophobicContact CG1-CH2 4.25Å; V336-W349 HydrophobicContact CG1-CZ2 4.48Å; V336-W349 HydrophobicContact CG2-CZ2 4.19Å; V336-V375 WeakPolarHBondContact O-CA 3.29Å; V336-N376 HydrophobicContact CG2-CB 3.71Å; V336-N376 WeakPolarHBondContact CG2-O 3.31Å; V336-N376 PolarHBondContact N-O 3.39Å; V336-N376 PolarHBondContact O-N 3.28Å; V336-F393 HydrophobicContact CB-CD1 4.38Å; V336-F393 HydrophobicContact CG2-CB 4.4Å; V336-F393 HydrophobicContact CG2-CD1 3.52Å; V336-F393 HydrophobicContact CG2-CD2 4.27Å; V336-F393 HydrophobicContact CG2-CE1 3.69Å; V336-F393 HydrophobicContact CG2-CE2 4.44Å; V336-F393 HydrophobicContact CG2-CG 3.81Å; V336-F393 HydrophobicContact CG2-CZ 4.16Å; V336-V404 HydrophobicContact CG1-CG1 3.65Å; V336-F406 HydrophobicContact CG1-CE2 3.56Å; V336-F406 HydrophobicContact CG1-CZ 3.74Å
337	E	96.4	Very high	92.4	Very high	21 Å²	21	49 Å²	49	10%	0.098	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	148	166.7	-59.4	-173.1	-177.3	0	0	109.7	F317 M319 K365 R373 Y374 V375	F317-E337 WeakPolarHBondContact CA-O 3.43Å; F317-E337 PolarHBondContact N-O 2.91Å; F317-E337 PolarHBondContact O-N 2.89Å; M319-E337 HydrophobicContact CE-CB 3.59Å; M319-E337 HydrophobicContact CE-CG 3.36Å; M319-E337 HydrophobicContact CG-CG 3.82Å; M319-E337 HydrophobicContact SD-CG 3.88Å; E337-K365 IonicContact OE1-NZ 2.63Å; E337-K365 PolarHBondContact OE1-NZ 3.05Å; E337-K365 IonicContact OE2-NZ 2.67Å; E337-K365 PolarHBondContact OE2-NZ 3.12Å; E337-R373 IonicContact OE2-CZ 3.47Å; E337-R373 VanDerWaalsContact OE2-CZ 3.27Å; E337-R373 IonicContact OE2-NE 3.95Å; E337-R373 PolarHBondContact OE2-NE 3.26Å; E337-R373 IonicContact OE2-NH2 3.39Å; E337-R373 PolarHBondContact OE2-NH2 3.49Å; E337-Y374 CarbonylContact C-O 3.34Å; E337-Y374 WeakPolarHBondContact CA-O 3.39Å; E337-V375 HydrophobicContact CG-CG1 4.23Å; E337-V375 HydrophobicContact CG-CG2 4.03Å
338	Y	95.7	Very high	92.5	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	150.8	176.3	60.6	-85.8	0	0	0	112.4	N315 A340 P344 R347 D362 R373 Y374 N376 F393 V395	N315-Y338 CarbonylContact O-C 3.57Å; N315-Y338 WeakPolarHBondContact O-CA 3.36Å; N315-Y338 WeakPolarHBondContact O-CB 3.47Å; Y338-A340 HydrophobicContact CD2-CB 4.13Å; Y338-A340 HydrophobicContact CE2-CB 4.28Å; Y338-P344 HydrophobicContact CE2-CB 4.17Å; Y338-P344 HydrophobicContact CE2-CG 4.08Å; Y338-R347 WeakPolarHBondContact OH-CD 3.27Å; Y338-D362 PolarHBondContact OH-OD1 3.43Å; Y338-R373 CarbonylContact O-C 3.52Å; Y338-R373 WeakPolarHBondContact O-CA 3.38Å; Y338-Y374 HydrophobicContact CD2-CD2 4.18Å; Y338-Y374 HydrophobicContact CD2-CG 4.47Å; Y338-Y374 VanDerWaalsContact CE2-CB 3.46Å; Y338-Y374 AromaticContact CE2-CD2 3.77Å; Y338-Y374 HydrophobicContact CE2-CD2 3.77Å; Y338-Y374 AromaticContact CE2-CG 3.78Å; Y338-Y374 HydrophobicContact CE2-CG 3.78Å; Y338-Y374 PolarHBondContact N-O 3.12Å; Y338-Y374 PolarHBondContact O-N 3.43Å; Y338-N376 HydrophobicContact CE1-CB 4.2Å; Y338-F393 AromaticContact CD1-CE1 3.86Å; Y338-F393 HydrophobicContact CD1-CE1 3.86Å; Y338-F393 HydrophobicContact CD1-CZ 4.15Å; Y338-F393 AromaticContact CE1-CE1 3.84Å; Y338-F393 HydrophobicContact CE1-CE1 3.84Å; Y338-F393 AromaticContact CE1-CZ 3.64Å; Y338-F393 HydrophobicContact CE1-CZ 3.64Å; Y338-V395 HydrophobicContact CD2-CG2 4.19Å; Y338-V395 HydrophobicContact CE2-CG2 3.75Å
339	E	94.9	Very high	92.8	Very high	49 Å²	49	46.2 Å²	46.2	23%	0.229	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	132	172.4	-68.9	172.6	175.2	0	0	109	F313 I314 N315 F317 I372 R373	F313-E339 HydrophobicContact CE2-CB 4.15Å; I314-E339 CarbonylContact C-O 3.59Å; I314-E339 WeakPolarHBondContact CA-O 3.42Å; N315-E339 PolarHBondContact N-O 2.72Å; N315-E339 PolarHBondContact O-N 3.36Å; F317-E339 HydrophobicContact CE2-CG 4.11Å; E339-I372 CarbonylContact C-O 3.59Å; E339-I372 VanDerWaalsContact CA-O 3.27Å; E339-I372 WeakPolarHBondContact CA-O 3.49Å; E339-R373 HydrophobicContact CG-CB 4.26Å; E339-R373 HydrophobicContact CG-CG 4.15Å; E339-R373 IonicContact OE1-NH1 2.63Å
340	A	93.6	Very high	93.1	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.008	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	125.8	-177.4	0	0	0	0	0	112.2	F313 I314 Y338 P342 P344 I372 Y374	F313-A340 WeakPolarHBondContact O-CA 3.5Å; I314-A340 HydrophobicContact CG1-CB 4.07Å; Y338-A340 HydrophobicContact CD2-CB 4.13Å; Y338-A340 HydrophobicContact CE2-CB 4.28Å; A340-P342 CarbonylContact C-O 3.5Å; A340-P344 HydrophobicContact CB-CB 4.38Å; A340-I372 PolarHBondContact N-O 3.2Å; A340-Y374 HydrophobicContact CB-CD2 4.23Å; A340-Y374 HydrophobicContact CB-CE2 4.08Å
341	Y	92	Very high	93.1	Very high	32 Å²	32	44.7 Å²	44.7	13%	0.125	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	129.9	170.5	-177.1	-92.9	0	0	0	110.1	L222 L223 R224 E227 V309 G312 F313 N397	L222-Y341 HydrophobicContact CB-CE2 4.32Å; L222-Y341 HydrophobicContact CD2-CD1 4.11Å; L222-Y341 HydrophobicContact CD2-CD2 3.5Å; L222-Y341 VanDerWaalsContact CD2-CD2 3.5Å; L222-Y341 HydrophobicContact CD2-CE2 4.02Å; L222-Y341 HydrophobicContact CD2-CG 3.55Å; L222-Y341 HydrophobicContact CG-CD1 4.23Å; L222-Y341 HydrophobicContact CG-CD2 3.91Å; L222-Y341 HydrophobicContact CG-CE1 4.24Å; L222-Y341 HydrophobicContact CG-CE2 3.9Å; L222-Y341 HydrophobicContact CG-CG 4.08Å; L222-Y341 WeakPolarHBondContact O-CE2 3.48Å; L222-Y341 PolarHBondContact O-OH 3.15Å; L223-Y341 VanDerWaalsContact C-OH 3.27Å; L223-Y341 WeakPolarHBondContact CA-OH 3.3Å; R224-Y341 HydrophobicContact CB-CE1 4.19Å; R224-Y341 PolarHBondContact N-OH 3.04Å; R224-Y341 VanDerWaalsContact N-OH 3.07Å; E227-Y341 PolarHBondContact OE2-OH 2.84Å; V309-Y341 HydrophobicContact CG2-CD1 3.87Å; V309-Y341 HydrophobicContact CG2-CE1 3.85Å; G312-Y341 CarbonylContact C-O 3.44Å; G312-Y341 VanDerWaalsContact C-O 3.29Å; G312-Y341 WeakPolarHBondContact CA-O 3.49Å; F313-Y341 HydrophobicContact CE1-CG 4.5Å; F313-Y341 PolarHBondContact N-O 3.03Å; F313-Y341 PolarHBondContact O-N 3.48Å; F313-Y341 VanDerWaalsContact O-N 3.07Å; Y341-N397 VanDerWaalsContact C-ND2 3.33Å; Y341-N397 PolarHBondContact O-ND2 2.7Å
342	P	91	Very high	92.8	Very high	28 Å²	28	44.9 Å²	44.9	18%	0.182	22%	0.217	C	C	.	.	S	Bend	cis	-57.8	172.5	-10.8	-23.2	35.4	0	0	0	112.5	A340 N397	A340-P342 CarbonylContact C-O 3.5Å; P342-N397 WeakPolarHBondContact O-CB 3.49Å; P342-N397 PolarHBondContact O-ND2 3.31Å
343	K	91.2	Very high	92.4	Very high	162 Å²	162	51.5 Å²	51.5	70%	0.704	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-50.6	143.7	-176.2	-62.9	-171.7	177.2	-178.5	0	112
344	P	93.4	Very high	91.9	Very high	20 Å²	20	58.7 Å²	58.7	13%	0.13	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-64.7	139.6	-178.8	29.4	-36.2	0	0	0	110.8	Y338 A340 R347 Y374 V395 S396	Y338-P344 HydrophobicContact CE2-CB 4.17Å; Y338-P344 HydrophobicContact CE2-CG 4.08Å; A340-P344 HydrophobicContact CB-CB 4.38Å; P344-R347 PolarHBondContact O-NH1 3.01Å; P344-Y374 VanDerWaalsContact CD-CZ 3.44Å; P344-Y374 HydrophobicContact CG-CD1 4.19Å; P344-Y374 HydrophobicContact CG-CD2 4.27Å; P344-Y374 HydrophobicContact CG-CE1 4.03Å; P344-Y374 HydrophobicContact CG-CE2 4.13Å; P344-Y374 HydrophobicContact CG-CG 4.32Å; P344-V395 HydrophobicContact CB-CG2 3.89Å; P344-S396 CarbonylContact C-O 3.48Å; P344-S396 WeakPolarHBondContact CA-O 3.25Å
345	V	91.9	Very high	91	Very high	76 Å²	76	64 Å²	64	46%	0.461	31%	0.307	S	S	.	.			trans	-102.6	-51.3	-177.3	-179.6	0	0	0	0	111.6	R347 S396	V345-R347 PolarHBondContact O-NH1 3.42Å; V345-R347 VanDerWaalsContact O-NH1 3.08Å; V345-R347 PolarHBondContact O-NH2 3.16Å; V345-R347 VanDerWaalsContact O-NH2 3.1Å; V345-S396 PolarHBondContact N-O 3.26Å
346	H	91.1	Very high	89.6	Confident	122 Å²	122	63.9 Å²	63.9	57%	0.565	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.4	133.7	179.8	-58.3	-62.9	0	0	0	111.1	V395 S396	H346-V395 CarbonylContact O-C 3.53Å; H346-V395 VanDerWaalsContact O-CA 3.28Å; H346-V395 WeakPolarHBondContact O-CA 3.34Å; H346-S396 WeakPolarHBondContact CB-OG 3.46Å; H346-S396 PolarHBondContact N-O 3.27Å; H346-S396 PolarHBondContact O-N 2.83Å
347	R	93.1	Very high	88	Confident	65 Å²	65	68.1 Å²	68.1	25%	0.245	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	132.6	177.6	-66.3	150.9	-58.4	-67.2	-9.3	108.3	Y338 P344 V345 W360 D362 F393 H394 V395	Y338-R347 WeakPolarHBondContact OH-CD 3.27Å; P344-R347 PolarHBondContact O-NH1 3.01Å; V345-R347 PolarHBondContact O-NH1 3.42Å; V345-R347 VanDerWaalsContact O-NH1 3.08Å; V345-R347 PolarHBondContact O-NH2 3.16Å; V345-R347 VanDerWaalsContact O-NH2 3.1Å; R347-W360 HydrophobicContact CB-CH2 4.26Å; R347-W360 HydrophobicContact CB-CZ3 4.34Å; R347-D362 WeakPolarHBondContact CD-OD2 3.34Å; R347-D362 IonicContact NE-OD2 3.4Å; R347-D362 PolarHBondContact NE-OD2 3.2Å; R347-F393 HydrophobicContact CB-CE2 4.33Å; R347-F393 HydrophobicContact CG-CZ 4.43Å; R347-H394 VanDerWaalsContact CA-O 3.28Å; R347-H394 WeakPolarHBondContact CA-O 3.39Å; R347-V395 HydrophobicContact CG-CB 4.37Å; R347-V395 HydrophobicContact CG-CG2 3.94Å
348	Q	92.9	Very high	86.6	Confident	76 Å²	76	74.4 Å²	74.4	36%	0.355	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	155.5	178.5	61.8	-178.9	-12.5	0	0	112.2	I350 H394	Q348-I350 HydrophobicContact CG-CG1 4.4Å; Q348-H394 HydrophobicContact CG-CB 4.05Å; Q348-H394 PolarHBondContact N-O 3.13Å; Q348-H394 PolarHBondContact O-N 2.9Å
349	W	93.9	Very high	85.9	Confident	4 Å²	4	79.6 Å²	79.6	2%	0.015	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	136.6	167.8	-74.6	94.4	0	0	0	111.6	L334 V336 S356 W360 N376 L378 T392 F393 F406	L334-W349 HydrophobicContact CB-CH2 3.85Å; L334-W349 HydrophobicContact CB-CZ2 4.49Å; L334-W349 HydrophobicContact CB-CZ3 4.37Å; L334-W349 HydrophobicContact CD1-CH2 4.5Å; L334-W349 HydrophobicContact CD1-CZ3 4.2Å; V336-W349 HydrophobicContact CG1-CH2 4.25Å; V336-W349 HydrophobicContact CG1-CZ2 4.48Å; V336-W349 HydrophobicContact CG2-CZ2 4.19Å; W349-S356 PolarHBondContact O-N 3.22Å; W349-W360 AromaticContact CD1-CG 3.68Å; W349-N376 PolarHBondContact NE1-OD1 3.24Å; W349-L378 HydrophobicContact CB-CD1 4.24Å; W349-L378 HydrophobicContact CB-CD2 4.27Å; W349-L378 HydrophobicContact CD2-CB 3.8Å; W349-L378 HydrophobicContact CD2-CD2 3.78Å; W349-L378 HydrophobicContact CD2-CG 4.24Å; W349-L378 HydrophobicContact CE3-CB 4.3Å; W349-L378 HydrophobicContact CE3-CD2 3.71Å; W349-L378 HydrophobicContact CG-CB 4.16Å; W349-L378 HydrophobicContact CG-CD1 4.07Å; W349-L378 HydrophobicContact CG-CD2 4.04Å; W349-L378 HydrophobicContact CG-CG 4.32Å; W349-L378 HydrophobicContact CH2-CB 4.27Å; W349-L378 HydrophobicContact CZ2-CB 3.8Å; W349-L378 HydrophobicContact CZ3-CD2 4.23Å; W349-T392 CarbonylContact C-O 3.58Å; W349-T392 WeakPolarHBondContact CA-O 3.42Å; W349-F393 HydrophobicContact CD2-CB 3.96Å; W349-F393 HydrophobicContact CD2-CD2 4.12Å; W349-F393 AromaticContact CE2-CD2 3.65Å; W349-F393 HydrophobicContact CE3-CB 3.87Å; W349-F393 HydrophobicContact CG-CD2 4.39Å; W349-F393 HydrophobicContact CH2-CB 3.73Å; W349-F393 HydrophobicContact CZ2-CB 3.78Å; W349-F393 HydrophobicContact CZ2-CD2 4.07Å; W349-F393 HydrophobicContact CZ2-CG 4.15Å; W349-F393 HydrophobicContact CZ3-CB 3.77Å; W349-F393 AromaticContact NE1-CD2 3.59Å; W349-F406 AromaticContact CH2-CD2 3.96Å; W349-F406 HydrophobicContact CH2-CD2 3.96Å; W349-F406 AromaticContact CH2-CE2 3.82Å; W349-F406 HydrophobicContact CH2-CE2 3.82Å; W349-F406 AromaticContact CZ3-CD2 3.89Å; W349-F406 HydrophobicContact CZ3-CD2 3.89Å; W349-F406 HydrophobicContact CZ3-CE2 4.21Å
350	I	92.3	Very high	85.7	Confident	41 Å²	41	80.2 Å²	80.2	21%	0.21	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	122	-178.7	-55.6	173.7	0	0	0	108.1	Q348 R354 Y391 T392	Q348-I350 HydrophobicContact CG-CG1 4.4Å; I350-R354 CarbonylContact C-O 3.59Å; I350-R354 WeakPolarHBondContact CA-O 3.37Å; I350-R354 WeakPolarHBondContact CG2-O 3.35Å; I350-Y391 CarbonylContact O-C 3.55Å; I350-Y391 WeakPolarHBondContact O-CA 3.41Å; I350-T392 PolarHBondContact N-O 3.06Å; I350-T392 PolarHBondContact O-N 2.75Å
351	Y	90.3	Very high	85.5	Confident	61 Å²	61	84.3 Å²	84.3	24%	0.239	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	119.9	173.4	168.7	-115.5	0	0	0	109.5	N353 R354 G388 T390 Y391	Y351-N353 VanDerWaalsContact C-N 3.3Å; Y351-N353 PolarHBondContact O-N 2.66Å; Y351-R354 PolarHBondContact N-O 2.98Å; Y351-R354 PolarHBondContact O-N 3.1Å; Y351-R354 VanDerWaalsContact O-O 3.04Å; Y351-G388 PolarHBondContact OH-O 3.22Å; Y351-G388 VanDerWaalsContact OH-O 3.1Å; Y351-T390 WeakPolarHBondContact CA-O 3.03Å; Y351-Y391 AromaticContact CD2-CD1 3.92Å; Y351-Y391 HydrophobicContact CD2-CD1 3.92Å; Y351-Y391 HydrophobicContact CD2-CD2 4.04Å; Y351-Y391 AromaticContact CD2-CE1 3.48Å; Y351-Y391 HydrophobicContact CD2-CE1 3.48Å; Y351-Y391 VanDerWaalsContact CD2-CE1 3.48Å; Y351-Y391 AromaticContact CD2-CE2 3.6Å; Y351-Y391 HydrophobicContact CD2-CE2 3.6Å; Y351-Y391 HydrophobicContact CD2-CG 4.19Å; Y351-Y391 AromaticContact CD2-CZ 3.31Å; Y351-Y391 HydrophobicContact CE2-CD2 4.48Å; Y351-Y391 HydrophobicContact CE2-CE1 4.21Å; Y351-Y391 AromaticContact CE2-CE2 3.72Å; Y351-Y391 HydrophobicContact CE2-CE2 3.72Å; Y351-Y391 AromaticContact CE2-CZ 3.57Å; Y351-Y391 HydrophobicContact CG-CD1 4.38Å; Y351-Y391 AromaticContact CG-CE1 3.92Å; Y351-Y391 HydrophobicContact CG-CE1 3.92Å
352	M	85.7	Confident	85.4	Confident	93 Å²	93	85.6 Å²	85.6	46%	0.458	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	48	48.2	177	-64.5	-68.3	-72.3	0	0	113.4	R354 T390	M352-R354 PolarHBondContact O-N 3.4Å; M352-T390 PolarHBondContact N-O 3.41Å
353	N	82.3	Confident	85.5	Confident	158 Å²	158	88.9 Å²	88.9	85%	0.845	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	17.6	-176.6	-61.6	-24.7	0	0	0	115.8	Y351	Y351-N353 VanDerWaalsContact C-N 3.3Å; Y351-N353 PolarHBondContact O-N 2.66Å
354	R	83.8	Confident	85.5	Confident	197 Å²	197	84.1 Å²	84.1	74%	0.743	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	141.2	171.5	-61.1	-179.6	-178.6	-178.3	0.7	108.6	I350 Y351 M352 S356	I350-R354 CarbonylContact C-O 3.59Å; I350-R354 WeakPolarHBondContact CA-O 3.37Å; I350-R354 WeakPolarHBondContact CG2-O 3.35Å; Y351-R354 PolarHBondContact N-O 2.98Å; Y351-R354 PolarHBondContact O-N 3.1Å; Y351-R354 VanDerWaalsContact O-O 3.04Å; M352-R354 PolarHBondContact O-N 3.4Å; R354-S356 PolarHBondContact O-N 2.88Å; R354-S356 VanDerWaalsContact O-N 3.16Å
355	T	75.4	Confident	85.2	Confident	110 Å²	110	88 Å²	88	68%	0.675	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59	121.8	172.7	33	0	0	0	0	108.9
356	S	65	Low	84.8	Confident	25 Å²	25	86.1 Å²	86.1	18%	0.175	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-73.2	160.1	179.2	-169.2	0	0	0	0	110.1	W349 R354	W349-S356 PolarHBondContact O-N 3.22Å; R354-S356 PolarHBondContact O-N 2.88Å; R354-S356 VanDerWaalsContact O-N 3.16Å
357	T	62.3	Low	84	Confident	90 Å²	90	84.4 Å²	84.4	55%	0.552	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-61.7	153.5	176.8	52.9	0	0	0	0	112.3	K359	T357-K359 PolarHBondContact O-N 3Å
358	D	66.9	Low	83.1	Confident	152 Å²	152	85.7 Å²	85.7	81%	0.813	43%	0.426	S	S	*	.	S	Bend	trans	-65.3	37.9	-178.2	-58.2	-42.3	0	0	0	115.7	W360	D358-W360 VanDerWaalsContact C-N 3.31Å; D358-W360 PolarHBondContact O-N 3.28Å
359	K	81.1	Confident	82.1	Confident	109 Å²	109	90 Å²	90	47%	0.474	45%	0.446	S	S	.	.			trans	-96.3	44.9	178.8	-63.8	-174.4	179.4	-179.4	0	111.7	T357 H379	T357-K359 PolarHBondContact O-N 3Å; K359-H379 PolarHBondContact O-N 3.33Å
360	W	89.9	Confident	81.2	Confident	63 Å²	63	92.6 Å²	92.6	24%	0.239	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	144.8	177.9	56.8	-83.9	0	0	0	111.1	R347 W349 D358 D362 N376 E377 L378	R347-W360 HydrophobicContact CB-CH2 4.26Å; R347-W360 HydrophobicContact CB-CZ3 4.34Å; W349-W360 AromaticContact CD1-CG 3.68Å; D358-W360 VanDerWaalsContact C-N 3.31Å; D358-W360 PolarHBondContact O-N 3.28Å; W360-D362 HydrophobicContact CE3-CB 3.96Å; W360-D362 HydrophobicContact CZ3-CB 3.56Å; W360-N376 VanDerWaalsContact CE3-ND2 3.3Å; W360-N376 WeakPolarHBondContact CZ3-ND2 3.37Å; W360-E377 CarbonylContact C-O 3.45Å; W360-E377 WeakPolarHBondContact CA-O 3.39Å; W360-E377 WeakPolarHBondContact CB-O 3.46Å; W360-L378 HydrophobicContact CB-CD1 4.01Å
361	D	90.1	Very high	80.8	Confident	86 Å²	86	92.1 Å²	92.1	46%	0.46	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	145.2	176.1	-73.2	-25.5	0	0	0	109.8	N376 E377 H379	D361-N376 CarbonylContact O-C 3.51Å; D361-N376 VanDerWaalsContact O-CA 3.31Å; D361-N376 WeakPolarHBondContact O-CA 3.43Å; D361-E377 PolarHBondContact N-O 2.93Å; D361-E377 PolarHBondContact O-N 3.35Å; D361-H379 IonicContact OD2-CD2 3.35Å; D361-H379 IonicContact OD2-NE2 3.43Å; D361-H379 PolarHBondContact OD2-NE2 3.47Å
362	D	90.5	Very high	80.8	Confident	60 Å²	60	91.5 Å²	91.5	32%	0.321	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	120.7	-178.3	-175.9	44.9	0	0	0	109.7	Y338 R347 W360 N376	Y338-D362 PolarHBondContact OH-OD1 3.43Å; R347-D362 WeakPolarHBondContact CD-OD2 3.34Å; R347-D362 IonicContact NE-OD2 3.4Å; R347-D362 PolarHBondContact NE-OD2 3.2Å; W360-D362 HydrophobicContact CE3-CB 3.96Å; W360-D362 HydrophobicContact CZ3-CB 3.56Å; D362-N376 VanDerWaalsContact CB-ND2 3.33Å; D362-N376 WeakPolarHBondContact CB-ND2 3.46Å; D362-N376 PolarHBondContact OD1-ND2 2.96Å; D362-N376 VanDerWaalsContact OD1-ND2 3.09Å
363	Y	91.4	Very high	81.2	Confident	96 Å²	96	90.9 Å²	90.9	38%	0.376	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	149.3	-176	58.8	-88.4	0	0	0	112.3	V375 E377	Y363-V375 HydrophobicContact CD2-CB 4.29Å; Y363-V375 HydrophobicContact CE1-CB 4.19Å; Y363-V375 HydrophobicContact CE1-CG1 4.31Å; Y363-V375 HydrophobicContact CE2-CB 3.76Å; Y363-V375 HydrophobicContact CE2-CG1 4.35Å; Y363-V375 HydrophobicContact CE2-CG2 3.93Å; Y363-V375 PolarHBondContact N-O 3.33Å; Y363-V375 PolarHBondContact O-N 3.16Å; Y363-E377 HydrophobicContact CE1-CG 4.27Å; Y363-E377 PolarHBondContact OH-OE1 3.43Å
364	P	92.2	Very high	81.8	Confident	62 Å²	62	84.6 Å²	84.6	40%	0.403	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	137.7	171.4	27.9	-33.2	0	0	0	110.3	S366 N371 Y374	P364-S366 PolarHBondContact O-N 3.32Å; P364-N371 VanDerWaalsContact CB-ND2 3.25Å; P364-N371 WeakPolarHBondContact CB-ND2 3.2Å; P364-Y374 HydrophobicContact CB-CD1 4.36Å; P364-Y374 HydrophobicContact CB-CE1 4.47Å
365	K	87.7	Confident	82.3	Confident	103 Å²	103	75.4 Å²	75.4	45%	0.448	39%	0.386	S	S	.	.	S	Bend	trans	-67.1	-22.1	177.7	-171.8	150.6	177.8	165.8	0	113	E337 R373 V375	E337-K365 IonicContact OE1-NZ 2.63Å; E337-K365 PolarHBondContact OE1-NZ 3.05Å; E337-K365 IonicContact OE2-NZ 2.67Å; E337-K365 PolarHBondContact OE2-NZ 3.12Å; K365-R373 HydrophobicContact CB-CB 4.2Å; K365-R373 HydrophobicContact CB-CG 4.12Å; K365-R373 HydrophobicContact CD-CG 4.14Å; K365-R373 PolarHBondContact N-O 2.67Å; K365-V375 HydrophobicContact CB-CG2 3.98Å; K365-V375 HydrophobicContact CD-CG2 4.03Å; K365-V375 HydrophobicContact CG-CG2 4.28Å
366	S	81.9	Confident	83.3	Confident	35 Å²	35	70.2 Å²	70.2	25%	0.245	35%	0.354	C	S	.	.			trans	-140.7	138.8	173	177.5	0	0	0	0	110.2	P364 N368 N371	P364-S366 PolarHBondContact O-N 3.32Å; S366-N368 PolarHBondContact O-N 3.21Å; S366-N368 WeakPolarHBondContact OG-CB 3.28Å; S366-N368 PolarHBondContact OG-N 3.1Å; S366-N368 PolarHBondContact OG-ND2 3.47Å; S366-N368 PolarHBondContact OG-OD1 2.92Å; S366-N371 PolarHBondContact N-ND2 3.04Å; S366-N371 WeakPolarHBondContact O-CB 3.35Å; S366-N371 PolarHBondContact O-ND2 3.34Å
367	E	76	Confident	84.7	Confident	86 Å²	86	70.6 Å²	70.6	40%	0.402	35%	0.353	S	S	.	.			trans	-76.1	-0.9	173	-75.4	-176.3	-135.6	0	0	113.1	E369 L891 S892 Y901	E367-E369 PolarHBondContact O-N 3.37Å; E367-L891 WeakPolarHBondContact OE1-CA 3.46Å; E367-L891 WeakPolarHBondContact OE1-CD2 3.16Å; E367-S892 PolarHBondContact OE2-N 3.49Å; E367-Y901 PolarHBondContact OE1-OH 3.24Å
368	N	74.2	Confident	86.1	Confident	93 Å²	93	66.4 Å²	66.4	50%	0.497	33%	0.327	S	S	.	.	S	Bend	trans	-60	139.8	177.8	-67.6	-0.5	0	0	0	110.7	S366 S370 N371	S366-N368 PolarHBondContact O-N 3.21Å; S366-N368 WeakPolarHBondContact OG-CB 3.28Å; S366-N368 PolarHBondContact OG-N 3.1Å; S366-N368 PolarHBondContact OG-ND2 3.47Å; S366-N368 PolarHBondContact OG-OD1 2.92Å; N368-S370 PolarHBondContact O-N 3.38Å; N368-N371 WeakPolarHBondContact O-CB 3.26Å; N368-N371 PolarHBondContact O-N 2.86Å
369	E	70.4	Confident	87.4	Confident	167 Å²	167	60 Å²	60	78%	0.78	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-14.4	176.3	-65.7	-163.4	164.8	0	0	114.3	K218 E367	K218-E369 VanDerWaalsContact NZ-CB 3.35Å; K218-E369 PolarHBondContact NZ-O 2.96Å; K218-E369 IonicContact NZ-OE2 3.27Å; K218-E369 PolarHBondContact NZ-OE2 3.14Å; E367-E369 PolarHBondContact O-N 3.37Å
370	S	75.9	Confident	87.8	Confident	57 Å²	57	55.7 Å²	55.7	40%	0.399	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	4.1	174.4	55.7	0	0	0	0	113.2	S220 N368 I372	S220-S370 WeakPolarHBondContact OG-CB 3.25Å; N368-S370 PolarHBondContact O-N 3.38Å; S370-I372 PolarHBondContact O-N 2.89Å
371	N	84	Confident	87.7	Confident	31 Å²	31	55.2 Å²	55.2	17%	0.166	28%	0.278	C	S	.	.			trans	-69.4	127.6	-175.7	-176.9	41.8	0	0	0	112.2	P364 S366 N368 R373	P364-N371 VanDerWaalsContact CB-ND2 3.25Å; P364-N371 WeakPolarHBondContact CB-ND2 3.2Å; S366-N371 PolarHBondContact N-ND2 3.04Å; S366-N371 WeakPolarHBondContact O-CB 3.35Å; S366-N371 PolarHBondContact O-ND2 3.34Å; N368-N371 WeakPolarHBondContact O-CB 3.26Å; N368-N371 PolarHBondContact O-N 2.86Å; N371-R373 PolarHBondContact ND2-O 3.26Å; N371-R373 PolarHBondContact OD1-N 3.27Å; N371-R373 PolarHBondContact OD1-O 2.96Å
372	I	90.6	Very high	87.5	Confident	49 Å²	49	60.4 Å²	60.4	25%	0.251	29%	0.291	S	S	.	.			trans	-114.6	-0.4	174	61.6	167.3	0	0	0	112.5	L222 F313 E339 A340 S370 Y374	L222-I372 HydrophobicContact CD2-CG2 3.73Å; F313-I372 HydrophobicContact CZ-CD1 4.19Å; E339-I372 CarbonylContact C-O 3.59Å; E339-I372 VanDerWaalsContact CA-O 3.27Å; E339-I372 WeakPolarHBondContact CA-O 3.49Å; A340-I372 PolarHBondContact N-O 3.2Å; S370-I372 PolarHBondContact O-N 2.89Å; I372-Y374 WeakPolarHBondContact O-CD2 3.31Å; I372-Y374 VanDerWaalsContact O-CE2 3.29Å; I372-Y374 WeakPolarHBondContact O-CE2 3.48Å
373	R	93.4	Very high	87.4	Confident	80 Å²	80	57.6 Å²	57.6	30%	0.302	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	135	-171.9	-167.1	167.1	178.8	152.7	-3.9	111.7	E337 Y338 E339 K365 N371	E337-R373 IonicContact OE2-CZ 3.47Å; E337-R373 VanDerWaalsContact OE2-CZ 3.27Å; E337-R373 IonicContact OE2-NE 3.95Å; E337-R373 PolarHBondContact OE2-NE 3.26Å; E337-R373 IonicContact OE2-NH2 3.39Å; E337-R373 PolarHBondContact OE2-NH2 3.49Å; Y338-R373 CarbonylContact O-C 3.52Å; Y338-R373 WeakPolarHBondContact O-CA 3.38Å; E339-R373 HydrophobicContact CG-CB 4.26Å; E339-R373 HydrophobicContact CG-CG 4.15Å; E339-R373 IonicContact OE1-NH1 2.63Å; K365-R373 HydrophobicContact CB-CB 4.2Å; K365-R373 HydrophobicContact CB-CG 4.12Å; K365-R373 HydrophobicContact CD-CG 4.14Å; K365-R373 PolarHBondContact N-O 2.67Å; N371-R373 PolarHBondContact ND2-O 3.26Å; N371-R373 PolarHBondContact OD1-N 3.27Å; N371-R373 PolarHBondContact OD1-O 2.96Å
374	Y	94.8	Very high	87.1	Confident	25 Å²	25	59.3 Å²	59.3	10%	0.098	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	157.2	-173.4	-56.9	-93.7	0	0	0	109.7	E337 Y338 A340 P344 P364 I372	E337-Y374 CarbonylContact C-O 3.34Å; E337-Y374 WeakPolarHBondContact CA-O 3.39Å; Y338-Y374 HydrophobicContact CD2-CD2 4.18Å; Y338-Y374 HydrophobicContact CD2-CG 4.47Å; Y338-Y374 VanDerWaalsContact CE2-CB 3.46Å; Y338-Y374 AromaticContact CE2-CD2 3.77Å; Y338-Y374 HydrophobicContact CE2-CD2 3.77Å; Y338-Y374 AromaticContact CE2-CG 3.78Å; Y338-Y374 HydrophobicContact CE2-CG 3.78Å; Y338-Y374 PolarHBondContact N-O 3.12Å; Y338-Y374 PolarHBondContact O-N 3.43Å; A340-Y374 HydrophobicContact CB-CD2 4.23Å; A340-Y374 HydrophobicContact CB-CE2 4.08Å; P344-Y374 VanDerWaalsContact CD-CZ 3.44Å; P344-Y374 HydrophobicContact CG-CD1 4.19Å; P344-Y374 HydrophobicContact CG-CD2 4.27Å; P344-Y374 HydrophobicContact CG-CE1 4.03Å; P344-Y374 HydrophobicContact CG-CE2 4.13Å; P344-Y374 HydrophobicContact CG-CG 4.32Å; P364-Y374 HydrophobicContact CB-CD1 4.36Å; P364-Y374 HydrophobicContact CB-CE1 4.47Å; I372-Y374 WeakPolarHBondContact O-CD2 3.31Å; I372-Y374 VanDerWaalsContact O-CE2 3.29Å; I372-Y374 WeakPolarHBondContact O-CE2 3.48Å
375	V	95.7	Very high	86.6	Confident	5 Å²	5	57.2 Å²	57.2	3%	0.03	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	137.5	177.6	-169.5	0	0	0	0	108.4	V335 V336 E337 Y363 K365 E377	V335-V375 HydrophobicContact CG1-CG1 3.99Å; V336-V375 WeakPolarHBondContact O-CA 3.29Å; E337-V375 HydrophobicContact CG-CG1 4.23Å; E337-V375 HydrophobicContact CG-CG2 4.03Å; Y363-V375 HydrophobicContact CD2-CB 4.29Å; Y363-V375 HydrophobicContact CE1-CB 4.19Å; Y363-V375 HydrophobicContact CE1-CG1 4.31Å; Y363-V375 HydrophobicContact CE2-CB 3.76Å; Y363-V375 HydrophobicContact CE2-CG1 4.35Å; Y363-V375 HydrophobicContact CE2-CG2 3.93Å; Y363-V375 PolarHBondContact N-O 3.33Å; Y363-V375 PolarHBondContact O-N 3.16Å; K365-V375 HydrophobicContact CB-CG2 3.98Å; K365-V375 HydrophobicContact CD-CG2 4.03Å; K365-V375 HydrophobicContact CG-CG2 4.28Å; V375-E377 HydrophobicContact CG1-CG 4.23Å
376	N	94.6	Very high	86.4	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	131.9	174.7	-157.7	-80.7	0	0	0	110.2	V336 Y338 W349 W360 D361 D362 F393	V336-N376 HydrophobicContact CG2-CB 3.71Å; V336-N376 WeakPolarHBondContact CG2-O 3.31Å; V336-N376 PolarHBondContact N-O 3.39Å; V336-N376 PolarHBondContact O-N 3.28Å; Y338-N376 HydrophobicContact CE1-CB 4.2Å; W349-N376 PolarHBondContact NE1-OD1 3.24Å; W360-N376 VanDerWaalsContact CE3-ND2 3.3Å; W360-N376 WeakPolarHBondContact CZ3-ND2 3.37Å; D361-N376 CarbonylContact O-C 3.51Å; D361-N376 VanDerWaalsContact O-CA 3.31Å; D361-N376 WeakPolarHBondContact O-CA 3.43Å; D362-N376 VanDerWaalsContact CB-ND2 3.33Å; D362-N376 WeakPolarHBondContact CB-ND2 3.46Å; D362-N376 PolarHBondContact OD1-ND2 2.96Å; D362-N376 VanDerWaalsContact OD1-ND2 3.09Å; N376-F393 HydrophobicContact CB-CD2 4.37Å; N376-F393 HydrophobicContact CB-CE1 4.49Å; N376-F393 HydrophobicContact CB-CE2 3.65Å; N376-F393 HydrophobicContact CB-CZ 3.7Å; N376-F393 WeakPolarHBondContact OD1-CE2 3.09Å
377	E	94.4	Very high	86.6	Confident	34 Å²	34	59.9 Å²	59.9	16%	0.159	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	123.3	-174.1	-54	-162.9	175.4	0	0	110.3	L334 V335 W360 D361 Y363 V375 H379	L334-E377 WeakPolarHBondContact O-CA 3.39Å; V335-E377 HydrophobicContact CB-CG 4.49Å; V335-E377 HydrophobicContact CG1-CG 4.1Å; V335-E377 HydrophobicContact CG2-CB 4.37Å; V335-E377 HydrophobicContact CG2-CG 3.96Å; W360-E377 CarbonylContact C-O 3.45Å; W360-E377 WeakPolarHBondContact CA-O 3.39Å; W360-E377 WeakPolarHBondContact CB-O 3.46Å; D361-E377 PolarHBondContact N-O 2.93Å; D361-E377 PolarHBondContact O-N 3.35Å; Y363-E377 HydrophobicContact CE1-CG 4.27Å; Y363-E377 PolarHBondContact OH-OE1 3.43Å; V375-E377 HydrophobicContact CG1-CG 4.23Å; E377-H379 IonicContact OE2-CE1 3.47Å; E377-H379 PolarHBondContact OE2-CE1 3.42Å
378	L	93.6	Very high	87.2	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	117.2	172.2	178.8	69	0	0	0	110.4	D333 L334 W349 W360 L380 Y391	D333-L378 WeakPolarHBondContact CA-O 3.32Å; L334-L378 HydrophobicContact CB-CB 4.27Å; L334-L378 HydrophobicContact CD1-CD2 4.21Å; L334-L378 PolarHBondContact N-O 3.3Å; L334-L378 PolarHBondContact O-N 3.36Å; W349-L378 HydrophobicContact CB-CD1 4.24Å; W349-L378 HydrophobicContact CB-CD2 4.27Å; W349-L378 HydrophobicContact CD2-CB 3.8Å; W349-L378 HydrophobicContact CD2-CD2 3.78Å; W349-L378 HydrophobicContact CD2-CG 4.24Å; W349-L378 HydrophobicContact CE3-CB 4.3Å; W349-L378 HydrophobicContact CE3-CD2 3.71Å; W349-L378 HydrophobicContact CG-CB 4.16Å; W349-L378 HydrophobicContact CG-CD1 4.07Å; W349-L378 HydrophobicContact CG-CD2 4.04Å; W349-L378 HydrophobicContact CG-CG 4.32Å; W349-L378 HydrophobicContact CH2-CB 4.27Å; W349-L378 HydrophobicContact CZ2-CB 3.8Å; W349-L378 HydrophobicContact CZ3-CD2 4.23Å; W360-L378 HydrophobicContact CB-CD1 4.01Å; L378-L380 HydrophobicContact CD2-CD2 3.9Å; L378-L380 HydrophobicContact CD2-CG 4.34Å; L378-L380 HydrophobicContact CG-CD2 3.97Å; L378-L380 HydrophobicContact CG-CG 4.31Å; L378-Y391 HydrophobicContact CD2-CD1 3.66Å; L378-Y391 HydrophobicContact CD2-CE1 4.33Å; L378-Y391 HydrophobicContact CD2-CG 4.44Å
379	H	92.3	Very high	87.9	Confident	19 Å²	19	51.7 Å²	51.7	9%	0.088	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	102.5	-177.5	-56.4	-65.9	0	0	0	111.9	D333 K359 D361 E377	D333-H379 WeakPolarHBondContact OD1-CA 2.68Å; D333-H379 IonicContact OD1-CE1 3.99Å; D333-H379 IonicContact OD1-CG 2.71Å; D333-H379 IonicContact OD1-ND1 2.92Å; D333-H379 PolarHBondContact OD1-ND1 2.94Å; K359-H379 PolarHBondContact O-N 3.33Å; D361-H379 IonicContact OD2-CD2 3.35Å; D361-H379 IonicContact OD2-NE2 3.43Å; D361-H379 PolarHBondContact OD2-NE2 3.47Å; E377-H379 IonicContact OE2-CE1 3.47Å; E377-H379 PolarHBondContact OE2-CE1 3.42Å
380	L	90.4	Very high	89	Confident	18 Å²	18	45.6 Å²	45.6	9%	0.094	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	105.3	174.2	-54.3	178.8	0	0	0	108.4	N331 V332 L334 L378 L383 Y391 V408	N331-L380 CarbonylContact C-O 3.56Å; N331-L380 VanDerWaalsContact CA-O 3.27Å; N331-L380 WeakPolarHBondContact CA-O 3.32Å; V332-L380 HydrophobicContact CG1-CB 3.93Å; V332-L380 HydrophobicContact CG1-CD1 3.96Å; V332-L380 HydrophobicContact CG1-CG 4.4Å; V332-L380 PolarHBondContact N-O 2.78Å; V332-L380 WeakPolarHBondContact O-CA 3.46Å; V332-L380 WeakPolarHBondContact O-CB 3.37Å; V332-L380 PolarHBondContact O-N 3.42Å; L334-L380 HydrophobicContact CD1-CD1 4.17Å; L334-L380 HydrophobicContact CG-CD1 4.34Å; L378-L380 HydrophobicContact CD2-CD2 3.9Å; L378-L380 HydrophobicContact CD2-CG 4.34Å; L378-L380 HydrophobicContact CG-CD2 3.97Å; L378-L380 HydrophobicContact CG-CG 4.31Å; L380-L383 VanDerWaalsContact C-CD1 3.45Å; L380-L383 HydrophobicContact CB-CD1 3.47Å; L380-L383 VanDerWaalsContact CB-CD1 3.47Å; L380-L383 HydrophobicContact CB-CD2 4.15Å; L380-L383 HydrophobicContact CB-CG 3.97Å; L380-L383 HydrophobicContact CD1-CD2 4.18Å; L380-L383 WeakPolarHBondContact O-CD1 3.19Å; L380-Y391 HydrophobicContact CD1-CD1 4.19Å; L380-Y391 HydrophobicContact CD1-CD2 4.43Å; L380-Y391 HydrophobicContact CD1-CE1 3.8Å; L380-Y391 HydrophobicContact CD1-CE2 4.08Å; L380-Y391 HydrophobicContact CD1-CG 4.49Å; L380-Y391 HydrophobicContact CD2-CD1 4.24Å; L380-Y391 HydrophobicContact CD2-CE1 3.58Å; L380-Y391 HydrophobicContact CG-CE1 4.36Å; L380-V408 HydrophobicContact CD1-CG2 4.45Å
381	T	87.9	Confident	89.8	Confident	52 Å²	52	43.4 Å²	43.4	32%	0.319	21%	0.212	S	C	.	.			trans	-106.4	129.3	-174.4	59.5	0	0	0	0	112.3	N331	N331-T381 WeakPolarHBondContact OD1-CA 3.32Å
382	R	86.8	Confident	90.3	Very high	195 Å²	195	43.3 Å²	43.3	74%	0.736	21%	0.213	S	C	*	.	S	Bend	trans	51.8	56.5	178.9	-61.9	-178.2	176.8	178.2	-1.3	111.3	E330 N331 K384	E330-R382 CarbonylContact O-C 3.51Å; E330-R382 VanDerWaalsContact O-CA 3.28Å; E330-R382 WeakPolarHBondContact O-CA 3.45Å; E330-R382 PolarHBondContact O-N 2.63Å; N331-R382 PolarHBondContact OD1-N 2.93Å; R382-K384 PolarHBondContact O-N 2.9Å
383	L	87.4	Confident	90.5	Very high	2 Å²	2	41 Å²	41	1%	0.01	20%	0.201	C	C	.	.			trans	-59.2	131.3	-176	-75.8	75.5	0	0	0	109.4	G329 E330 V332 L380 E387 V408 V410	G329-L383 PolarHBondContact N-O 2.87Å; E330-L383 WeakPolarHBondContact O-CD1 3.4Å; E330-L383 PolarHBondContact O-N 2.76Å; V332-L383 HydrophobicContact CG1-CD1 4.16Å; V332-L383 HydrophobicContact CG1-CD2 4.22Å; L380-L383 VanDerWaalsContact C-CD1 3.45Å; L380-L383 HydrophobicContact CB-CD1 3.47Å; L380-L383 VanDerWaalsContact CB-CD1 3.47Å; L380-L383 HydrophobicContact CB-CD2 4.15Å; L380-L383 HydrophobicContact CB-CG 3.97Å; L380-L383 HydrophobicContact CD1-CD2 4.18Å; L380-L383 WeakPolarHBondContact O-CD1 3.19Å; L383-E387 VanDerWaalsContact CA-OE2 3.31Å; L383-E387 WeakPolarHBondContact CA-OE2 3.34Å; L383-V408 HydrophobicContact CD2-CG1 3.94Å; L383-V410 HydrophobicContact CB-CG2 4.36Å; L383-V410 HydrophobicContact CD2-CG2 4.06Å
384	K	85.7	Confident	90.6	Very high	131 Å²	131	39.6 Å²	39.6	57%	0.57	20%	0.198	S	C	*	.			trans	-81.5	151	168.3	-63.2	-179.5	-179.6	177.6	0	109.3	D328 R382 T386 E387	D328-K384 WeakPolarHBondContact OD1-CA 3.27Å; R382-K384 PolarHBondContact O-N 2.9Å; K384-T386 PolarHBondContact O-N 3.19Å; K384-E387 HydrophobicContact CB-CG 4.18Å; K384-E387 PolarHBondContact N-OE2 3.02Å; K384-E387 WeakPolarHBondContact O-CB 3.33Å; K384-E387 PolarHBondContact O-N 2.87Å
385	G	80.3	Confident	90.6	Very high	18 Å²	18	38.4 Å²	38.4	19%	0.186	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-48.3	-26.7	171.4	0	0	0	0	0	115.5	D328	D328-G385 PolarHBondContact OD1-N 3.34Å; D328-G385 VanDerWaalsContact OD1-N 3.08Å
386	T	83.9	Confident	90.6	Very high	120 Å²	120	38.9 Å²	38.9	74%	0.736	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-81.8	-10.7	177.6	55.4	0	0	0	0	114.8	K384	K384-T386 PolarHBondContact O-N 3.19Å
387	E	86.5	Confident	90.6	Very high	74 Å²	74	39.5 Å²	39.5	35%	0.346	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-93.4	3.8	-176.9	-65.2	174.7	150.7	0	0	112.4	L383 K384 Y391	L383-E387 VanDerWaalsContact CA-OE2 3.31Å; L383-E387 WeakPolarHBondContact CA-OE2 3.34Å; K384-E387 HydrophobicContact CB-CG 4.18Å; K384-E387 PolarHBondContact N-OE2 3.02Å; K384-E387 WeakPolarHBondContact O-CB 3.33Å; K384-E387 PolarHBondContact O-N 2.87Å; E387-Y391 PolarHBondContact O-OH 3.05Å
388	G	87.8	Confident	90.4	Very high	8 Å²	8	41.7 Å²	41.7	8%	0.082	22%	0.219	C	C	.	.			trans	-59.5	146.9	165.2	0	0	0	0	0	111.5	Y351 V408	Y351-G388 PolarHBondContact OH-O 3.22Å; Y351-G388 VanDerWaalsContact OH-O 3.1Å; G388-V408 CarbonylContact C-O 3.6Å; G388-V408 VanDerWaalsContact CA-O 3.29Å; G388-V408 WeakPolarHBondContact CA-O 3.47Å
389	G	90.1	Very high	90.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.2	-166.8	-177.6	0	0	0	0	0	114.4	V408	G389-V408 PolarHBondContact N-O 3.37Å; G389-V408 PolarHBondContact O-N 2.87Å
390	T	92.4	Very high	90.3	Very high	38 Å²	38	45 Å²	45	23%	0.233	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	129.7	178.5	58.7	0	0	0	0	111.7	Y351 M352 F406 N407 F470	Y351-T390 WeakPolarHBondContact CA-O 3.03Å; M352-T390 PolarHBondContact N-O 3.41Å; T390-F406 CarbonylContact C-O 3.59Å; T390-F406 WeakPolarHBondContact CA-O 3.46Å; T390-N407 WeakPolarHBondContact CG2-OD1 3.22Å; T390-F470 HydrophobicContact CG2-CE2 3.78Å; T390-F470 HydrophobicContact CG2-CZ 3.65Å
391	Y	93.5	Very high	90.5	Very high	11 Å²	11	49.5 Å²	49.5	4%	0.043	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	118.7	179.8	-68.2	-97.8	0	0	0	109.4	L334 I350 Y351 L378 L380 E387 T405 F406 V408	L334-Y391 HydrophobicContact CD1-CG 4.11Å; I350-Y391 CarbonylContact O-C 3.55Å; I350-Y391 WeakPolarHBondContact O-CA 3.41Å; Y351-Y391 AromaticContact CD2-CD1 3.92Å; Y351-Y391 HydrophobicContact CD2-CD1 3.92Å; Y351-Y391 HydrophobicContact CD2-CD2 4.04Å; Y351-Y391 AromaticContact CD2-CE1 3.48Å; Y351-Y391 HydrophobicContact CD2-CE1 3.48Å; Y351-Y391 VanDerWaalsContact CD2-CE1 3.48Å; Y351-Y391 AromaticContact CD2-CE2 3.6Å; Y351-Y391 HydrophobicContact CD2-CE2 3.6Å; Y351-Y391 HydrophobicContact CD2-CG 4.19Å; Y351-Y391 AromaticContact CD2-CZ 3.31Å; Y351-Y391 HydrophobicContact CE2-CD2 4.48Å; Y351-Y391 HydrophobicContact CE2-CE1 4.21Å; Y351-Y391 AromaticContact CE2-CE2 3.72Å; Y351-Y391 HydrophobicContact CE2-CE2 3.72Å; Y351-Y391 AromaticContact CE2-CZ 3.57Å; Y351-Y391 HydrophobicContact CG-CD1 4.38Å; Y351-Y391 AromaticContact CG-CE1 3.92Å; Y351-Y391 HydrophobicContact CG-CE1 3.92Å; L378-Y391 HydrophobicContact CD2-CD1 3.66Å; L378-Y391 HydrophobicContact CD2-CE1 4.33Å; L378-Y391 HydrophobicContact CD2-CG 4.44Å; L380-Y391 HydrophobicContact CD1-CD1 4.19Å; L380-Y391 HydrophobicContact CD1-CD2 4.43Å; L380-Y391 HydrophobicContact CD1-CE1 3.8Å; L380-Y391 HydrophobicContact CD1-CE2 4.08Å; L380-Y391 HydrophobicContact CD1-CG 4.49Å; L380-Y391 HydrophobicContact CD2-CD1 4.24Å; L380-Y391 HydrophobicContact CD2-CE1 3.58Å; L380-Y391 HydrophobicContact CG-CE1 4.36Å; E387-Y391 PolarHBondContact O-OH 3.05Å; Y391-T405 CarbonylContact O-C 3.6Å; Y391-T405 WeakPolarHBondContact O-CA 3.41Å; Y391-F406 PolarHBondContact N-O 2.85Å; Y391-F406 PolarHBondContact O-N 2.85Å; Y391-V408 HydrophobicContact CD2-CB 4.01Å; Y391-V408 HydrophobicContact CD2-CG2 3.53Å; Y391-V408 HydrophobicContact CE2-CB 3.89Å; Y391-V408 HydrophobicContact CE2-CG2 3.85Å; Y391-V408 HydrophobicContact CG-CG2 4.45Å
392	T	94.5	Very high	90.8	Very high	29 Å²	29	48.8 Å²	48.8	18%	0.178	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	127.2	-175.8	-58.9	0	0	0	0	111.3	W349 I350 V404 T405	W349-T392 CarbonylContact C-O 3.58Å; W349-T392 WeakPolarHBondContact CA-O 3.42Å; I350-T392 PolarHBondContact N-O 3.06Å; I350-T392 PolarHBondContact O-N 2.75Å; T392-V404 CarbonylContact C-O 3.57Å; T392-V404 WeakPolarHBondContact CA-O 3.47Å; T392-T405 WeakPolarHBondContact CG2-OG1 3.37Å; T392-T405 WeakPolarHBondContact OG1-CG2 3.37Å; T392-T405 PolarHBondContact OG1-OG1 2.82Å
393	F	95.3	Very high	91.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	131.3	168.7	177.6	-112.3	0	0	0	110.2	V336 Y338 R347 W349 N376 V395 S403 V404	V336-F393 HydrophobicContact CB-CD1 4.38Å; V336-F393 HydrophobicContact CG2-CB 4.4Å; V336-F393 HydrophobicContact CG2-CD1 3.52Å; V336-F393 HydrophobicContact CG2-CD2 4.27Å; V336-F393 HydrophobicContact CG2-CE1 3.69Å; V336-F393 HydrophobicContact CG2-CE2 4.44Å; V336-F393 HydrophobicContact CG2-CG 3.81Å; V336-F393 HydrophobicContact CG2-CZ 4.16Å; Y338-F393 AromaticContact CD1-CE1 3.86Å; Y338-F393 HydrophobicContact CD1-CE1 3.86Å; Y338-F393 HydrophobicContact CD1-CZ 4.15Å; Y338-F393 AromaticContact CE1-CE1 3.84Å; Y338-F393 HydrophobicContact CE1-CE1 3.84Å; Y338-F393 AromaticContact CE1-CZ 3.64Å; Y338-F393 HydrophobicContact CE1-CZ 3.64Å; R347-F393 HydrophobicContact CB-CE2 4.33Å; R347-F393 HydrophobicContact CG-CZ 4.43Å; W349-F393 HydrophobicContact CD2-CB 3.96Å; W349-F393 HydrophobicContact CD2-CD2 4.12Å; W349-F393 AromaticContact CE2-CD2 3.65Å; W349-F393 HydrophobicContact CE3-CB 3.87Å; W349-F393 HydrophobicContact CG-CD2 4.39Å; W349-F393 HydrophobicContact CH2-CB 3.73Å; W349-F393 HydrophobicContact CZ2-CB 3.78Å; W349-F393 HydrophobicContact CZ2-CD2 4.07Å; W349-F393 HydrophobicContact CZ2-CG 4.15Å; W349-F393 HydrophobicContact CZ3-CB 3.77Å; W349-F393 AromaticContact NE1-CD2 3.59Å; N376-F393 HydrophobicContact CB-CD2 4.37Å; N376-F393 HydrophobicContact CB-CE1 4.49Å; N376-F393 HydrophobicContact CB-CE2 3.65Å; N376-F393 HydrophobicContact CB-CZ 3.7Å; N376-F393 WeakPolarHBondContact OD1-CE2 3.09Å; F393-V395 HydrophobicContact CD1-CG1 4.45Å; F393-V395 HydrophobicContact CE1-CB 3.83Å; F393-V395 HydrophobicContact CE1-CG1 3.8Å; F393-V395 HydrophobicContact CZ-CB 3.99Å; F393-V395 HydrophobicContact CZ-CG1 4.45Å; F393-S403 CarbonylContact O-C 3.51Å; F393-S403 WeakPolarHBondContact O-CA 3.35Å; F393-S403 WeakPolarHBondContact O-CB 3.44Å; F393-V404 HydrophobicContact CB-CG1 4Å; F393-V404 HydrophobicContact CD1-CG1 4.34Å; F393-V404 PolarHBondContact N-O 3.29Å; F393-V404 PolarHBondContact O-N 3.18Å
394	H	94.8	Very high	91.7	Very high	51 Å²	51	43.7 Å²	43.7	24%	0.236	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	133	177.5	-178.3	-78.7	0	0	0	110.6	R347 Q348	R347-H394 VanDerWaalsContact CA-O 3.28Å; R347-H394 WeakPolarHBondContact CA-O 3.39Å; Q348-H394 HydrophobicContact CG-CB 4.05Å; Q348-H394 PolarHBondContact N-O 3.13Å; Q348-H394 PolarHBondContact O-N 2.9Å
395	V	95.9	Very high	92.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	141.7	178.6	56.8	0	0	0	0	111.5	I314 I316 Y338 P344 H346 R347 F393 S402	I314-V395 HydrophobicContact CD1-CG2 4.4Å; I314-V395 HydrophobicContact CG2-CG1 3.84Å; I316-V395 HydrophobicContact CD1-CG1 3.63Å; I316-V395 HydrophobicContact CG1-CG1 4.07Å; Y338-V395 HydrophobicContact CD2-CG2 4.19Å; Y338-V395 HydrophobicContact CE2-CG2 3.75Å; P344-V395 HydrophobicContact CB-CG2 3.89Å; H346-V395 CarbonylContact O-C 3.53Å; H346-V395 VanDerWaalsContact O-CA 3.28Å; H346-V395 WeakPolarHBondContact O-CA 3.34Å; R347-V395 HydrophobicContact CG-CB 4.37Å; R347-V395 HydrophobicContact CG-CG2 3.94Å; F393-V395 HydrophobicContact CD1-CG1 4.45Å; F393-V395 HydrophobicContact CE1-CB 3.83Å; F393-V395 HydrophobicContact CE1-CG1 3.8Å; F393-V395 HydrophobicContact CZ-CB 3.99Å; F393-V395 HydrophobicContact CZ-CG1 4.45Å; V395-S402 PolarHBondContact N-O 3.1Å; V395-S402 PolarHBondContact O-N 3.03Å; V395-S402 VanDerWaalsContact O-O 3.06Å
396	S	95.3	Very high	92.8	Very high	15 Å²	15	39.5 Å²	39.5	11%	0.105	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	155.9	175.5	73.9	0	0	0	0	112.7	P344 V345 H346 V400	P344-S396 CarbonylContact C-O 3.48Å; P344-S396 WeakPolarHBondContact CA-O 3.25Å; V345-S396 PolarHBondContact N-O 3.26Å; H346-S396 WeakPolarHBondContact CB-OG 3.46Å; H346-S396 PolarHBondContact N-O 3.27Å; H346-S396 PolarHBondContact O-N 2.83Å; S396-V400 WeakPolarHBondContact CA-O 3.47Å
397	N	93.5	Very high	93.3	Very high	13 Å²	13	36 Å²	36	7%	0.07	21%	0.213	C	C	.	.			trans	-123.4	-165.5	168.3	69.6	7.3	0	0	0	109.3	F313 I314 Y341 P342 D399 V400	F313-N397 PolarHBondContact O-ND2 3.11Å; I314-N397 HydrophobicContact CD1-CB 4.02Å; I314-N397 HydrophobicContact CG1-CB 4.47Å; Y341-N397 VanDerWaalsContact C-ND2 3.33Å; Y341-N397 PolarHBondContact O-ND2 2.7Å; P342-N397 WeakPolarHBondContact O-CB 3.49Å; P342-N397 PolarHBondContact O-ND2 3.31Å; N397-D399 PolarHBondContact O-N 3.27Å; N397-D399 PolarHBondContact OD1-N 2.97Å; N397-V400 PolarHBondContact N-O 2.88Å; N397-V400 PolarHBondContact OD1-N 2.85Å; N397-V400 PolarHBondContact OD1-O 3.08Å
398	S	90.3	Very high	93.6	Very high	80 Å²	80	32.5 Å²	32.5	56%	0.559	20%	0.196	S	C	*	.	S	Bend	trans	-65.7	-19.9	179.2	57.7	0	0	0	0	114.1
399	D	90.1	Very high	93.8	Very high	41 Å²	41	34.9 Å²	34.9	22%	0.219	20%	0.203	C	C	.	.	S	Bend	trans	-118.3	-30.4	-164	-63.1	3.4	0	0	0	113	R224 K311 G312 N397	R224-D399 IonicContact NH1-OD1 4Å; R224-D399 PolarHBondContact NH1-OD1 3.18Å; R224-D399 IonicContact NH1-OD2 2.76Å; K311-D399 HydrophobicContact CG-CB 4.3Å; G312-D399 VanDerWaalsContact CA-OD2 3.31Å; G312-D399 WeakPolarHBondContact CA-OD2 3.46Å; G312-D399 PolarHBondContact N-OD2 2.97Å; N397-D399 PolarHBondContact O-N 3.27Å; N397-D399 PolarHBondContact OD1-N 2.97Å
400	V	93.4	Very high	93.8	Very high	48 Å²	48	35.3 Å²	35.3	29%	0.291	21%	0.206	S	C	.	.			trans	-147.1	150.7	-170.8	-174.4	0	0	0	0	111.4	G312 I314 S396 N397	G312-V400 WeakPolarHBondContact O-CG2 3.28Å; I314-V400 WeakPolarHBondContact CD1-O 3.35Å; S396-V400 WeakPolarHBondContact CA-O 3.47Å; N397-V400 PolarHBondContact N-O 2.88Å; N397-V400 PolarHBondContact OD1-N 2.85Å; N397-V400 PolarHBondContact OD1-O 3.08Å
401	N	94.7	Very high	93.7	Very high	114 Å²	114	34.6 Å²	34.6	61%	0.61	20%	0.2	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.6	148.1	169.6	57.1	-10.9	0	0	0	111.2
402	S	95.9	Very high	93.6	Very high	37 Å²	37	34.3 Å²	34.3	26%	0.259	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	157.7	-179.3	-166.1	0	0	0	0	111.6	I316 V395	I316-S402 WeakPolarHBondContact CD1-OG 3.19Å; V395-S402 PolarHBondContact N-O 3.1Å; V395-S402 PolarHBondContact O-N 3.03Å; V395-S402 VanDerWaalsContact O-O 3.06Å
403	S	95.6	Very high	93.5	Very high	68 Å²	68	39.3 Å²	39.3	48%	0.476	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	157.4	-178.4	62.8	0	0	0	0	113.3	F393	F393-S403 CarbonylContact O-C 3.51Å; F393-S403 WeakPolarHBondContact O-CA 3.35Å; F393-S403 WeakPolarHBondContact O-CB 3.44Å
404	V	96	Very high	93.3	Very high	22 Å²	22	39.4 Å²	39.4	13%	0.133	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	142.9	174.9	63.1	0	0	0	0	110.7	I316 P318 T322 V336 T392 F393 F406	I316-V404 HydrophobicContact CG2-CB 4.1Å; I316-V404 HydrophobicContact CG2-CG1 3.74Å; P318-V404 HydrophobicContact CB-CG2 4.42Å; P318-V404 HydrophobicContact CG-CG2 4.49Å; T322-V404 HydrophobicContact CG2-CG2 4.37Å; V336-V404 HydrophobicContact CG1-CG1 3.65Å; T392-V404 CarbonylContact C-O 3.57Å; T392-V404 WeakPolarHBondContact CA-O 3.47Å; F393-V404 HydrophobicContact CB-CG1 4Å; F393-V404 HydrophobicContact CD1-CG1 4.34Å; F393-V404 PolarHBondContact N-O 3.29Å; F393-V404 PolarHBondContact O-N 3.18Å; V404-F406 HydrophobicContact CG1-CE2 4.16Å; V404-F406 HydrophobicContact CG2-CE2 4.48Å
405	T	95.4	Very high	93.1	Very high	60 Å²	60	41.8 Å²	41.8	37%	0.368	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.1	-174.9	-60.1	0	0	0	0	111.9	T322 Y391 T392	T322-T405 WeakPolarHBondContact CB-O 3.38Å; Y391-T405 CarbonylContact O-C 3.6Å; Y391-T405 WeakPolarHBondContact O-CA 3.41Å; T392-T405 WeakPolarHBondContact CG2-OG1 3.37Å; T392-T405 WeakPolarHBondContact OG1-CG2 3.37Å; T392-T405 PolarHBondContact OG1-OG1 2.82Å
406	F	95	Very high	92.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	137	174.2	-67.1	-96.7	0	0	0	110.9	P318 M320 T322 V324 L334 V336 W349 T390 Y391 V404	P318-F406 HydrophobicContact CB-CE1 4.45Å; P318-F406 HydrophobicContact CB-CZ 3.95Å; M320-F406 HydrophobicContact CG-CD1 4.31Å; M320-F406 HydrophobicContact CG-CE1 3.59Å; M320-F406 HydrophobicContact CG-CZ 4.48Å; M320-F406 HydrophobicContact SD-CE1 4.24Å; T322-F406 HydrophobicContact CG2-CE1 4.5Å; T322-F406 CarbonylContact O-C 3.54Å; T322-F406 VanDerWaalsContact O-CA 3.27Å; T322-F406 WeakPolarHBondContact O-CA 3.45Å; V324-F406 HydrophobicContact CG2-CD1 4.39Å; L334-F406 HydrophobicContact CD1-CB 3.85Å; L334-F406 HydrophobicContact CD1-CD2 4.34Å; L334-F406 HydrophobicContact CD1-CG 4.04Å; L334-F406 HydrophobicContact CD2-CD1 4.15Å; L334-F406 HydrophobicContact CD2-CG 4.37Å; V336-F406 HydrophobicContact CG1-CE2 3.56Å; V336-F406 HydrophobicContact CG1-CZ 3.74Å; W349-F406 AromaticContact CH2-CD2 3.96Å; W349-F406 HydrophobicContact CH2-CD2 3.96Å; W349-F406 AromaticContact CH2-CE2 3.82Å; W349-F406 HydrophobicContact CH2-CE2 3.82Å; W349-F406 AromaticContact CZ3-CD2 3.89Å; W349-F406 HydrophobicContact CZ3-CD2 3.89Å; W349-F406 HydrophobicContact CZ3-CE2 4.21Å; T390-F406 CarbonylContact C-O 3.59Å; T390-F406 WeakPolarHBondContact CA-O 3.46Å; Y391-F406 PolarHBondContact N-O 2.85Å; Y391-F406 PolarHBondContact O-N 2.85Å; V404-F406 HydrophobicContact CG1-CE2 4.16Å; V404-F406 HydrophobicContact CG2-CE2 4.48Å
407	N	93.7	Very high	92.4	Very high	48 Å²	48	46.8 Å²	46.8	26%	0.257	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	113.3	174.7	-59.5	-42.8	0	0	0	108.8	T322 T323 V324 T390 Y409 F470	T322-N407 PolarHBondContact O-N 2.81Å; T323-N407 CarbonylContact C-O 3.53Å; T323-N407 WeakPolarHBondContact CA-O 3.34Å; V324-N407 PolarHBondContact N-O 2.72Å; T390-N407 WeakPolarHBondContact CG2-OD1 3.22Å; N407-Y409 HydrophobicContact CB-CE2 4.17Å; N407-F470 HydrophobicContact CB-CE1 4.19Å; N407-F470 HydrophobicContact CB-CZ 4.31Å
408	V	92.2	Very high	92	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	115.4	-175.9	-175.9	0	0	0	0	110.1	V324 V326 L334 L380 L383 G388 G389 Y391 F470	V324-V408 HydrophobicContact CB-CG2 4.38Å; V324-V408 CarbonylContact O-C 3.5Å; V324-V408 WeakPolarHBondContact O-CA 3.36Å; V326-V408 HydrophobicContact CG2-CG1 4.29Å; L334-V408 HydrophobicContact CD1-CG2 4.19Å; L334-V408 HydrophobicContact CD2-CG2 4.36Å; L380-V408 HydrophobicContact CD1-CG2 4.45Å; L383-V408 HydrophobicContact CD2-CG1 3.94Å; G388-V408 CarbonylContact C-O 3.6Å; G388-V408 VanDerWaalsContact CA-O 3.29Å; G388-V408 WeakPolarHBondContact CA-O 3.47Å; G389-V408 PolarHBondContact N-O 3.37Å; G389-V408 PolarHBondContact O-N 2.87Å; Y391-V408 HydrophobicContact CD2-CB 4.01Å; Y391-V408 HydrophobicContact CD2-CG2 3.53Å; Y391-V408 HydrophobicContact CE2-CB 3.89Å; Y391-V408 HydrophobicContact CE2-CG2 3.85Å; Y391-V408 HydrophobicContact CG-CG2 4.45Å; V408-F470 WeakPolarHBondContact O-CD1 3.38Å
409	Y	91.5	Very high	91.5	Very high	58 Å²	58	49.1 Å²	49.1	23%	0.227	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	128.5	176.2	-65.2	-84.2	0	0	0	110.1	T323 V324 F325 V326 N407 F434 F470	T323-Y409 HydrophobicContact CG2-CD2 3.96Å; T323-Y409 HydrophobicContact CG2-CE2 3.7Å; V324-Y409 PolarHBondContact O-N 3.38Å; F325-Y409 WeakPolarHBondContact CA-O 3.34Å; F325-Y409 HydrophobicContact CD1-CD2 4.24Å; F325-Y409 HydrophobicContact CD1-CG 4.14Å; F325-Y409 AromaticContact CE1-CD2 3.79Å; F325-Y409 HydrophobicContact CE1-CD2 3.79Å; F325-Y409 AromaticContact CE1-CG 3.85Å; F325-Y409 HydrophobicContact CE1-CG 3.85Å; F325-Y409 HydrophobicContact CZ-CD2 4.06Å; V326-Y409 PolarHBondContact N-O 3Å; N407-Y409 HydrophobicContact CB-CE2 4.17Å; Y409-F434 HydrophobicContact CD1-CE1 4.48Å; Y409-F434 AromaticContact CD1-CZ 3.98Å; Y409-F434 HydrophobicContact CD1-CZ 3.98Å; Y409-F434 HydrophobicContact CG-CZ 4.47Å; Y409-F470 AromaticContact CD1-CD1 3.77Å; Y409-F470 HydrophobicContact CD1-CD1 3.77Å; Y409-F470 HydrophobicContact CD1-CE1 4.15Å; Y409-F470 AromaticContact CE1-CD1 3.66Å; Y409-F470 HydrophobicContact CE1-CD1 3.66Å; Y409-F470 AromaticContact CE1-CE1 3.74Å; Y409-F470 HydrophobicContact CE1-CE1 3.74Å; Y409-F470 HydrophobicContact CE2-CE1 4.15Å; Y409-F470 HydrophobicContact CG-CD1 4.35Å; Y409-F470 AromaticContact CZ-CE1 3.74Å
410	V	90.9	Very high	91.1	Very high	9 Å²	9	51 Å²	51	6%	0.055	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	115.6	-178.8	-172.9	0	0	0	0	110.6	V326 D328 L383	V326-V410 CarbonylContact O-C 3.52Å; V326-V410 VanDerWaalsContact O-CA 3.24Å; V326-V410 WeakPolarHBondContact O-CA 3.39Å; D328-V410 HydrophobicContact CB-CG1 4.37Å; L383-V410 HydrophobicContact CB-CG2 4.36Å; L383-V410 HydrophobicContact CD2-CG2 4.06Å
411	N	91.1	Very high	90.4	Very high	23 Å²	23	54.4 Å²	54.4	12%	0.123	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	128	178.4	-54.2	-30.4	0	0	0	110.4	V326 N327 D328 F434 V498	V326-N411 PolarHBondContact O-N 2.86Å; N327-N411 WeakPolarHBondContact OD1-CB 3.29Å; N327-N411 PolarHBondContact OD1-ND2 3.43Å; D328-N411 WeakPolarHBondContact CB-O 3.34Å; D328-N411 PolarHBondContact N-O 3.17Å; N411-F434 CarbonylContact C-O 3.51Å; N411-F434 WeakPolarHBondContact CA-O 3.45Å; N411-F434 WeakPolarHBondContact OD1-CD1 3.42Å; N411-V498 HydrophobicContact CB-CG2 3.55Å
412	T	90.8	Very high	89.7	Confident	4 Å²	4	51.5 Å²	51.5	3%	0.025	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	137.2	-178.9	54	0	0	0	0	110.3	D328 F434 N496	D328-T412 HydrophobicContact CB-CG2 4.03Å; T412-F434 PolarHBondContact N-O 3.05Å; T412-F434 PolarHBondContact O-N 3.17Å; T412-F434 PolarHBondContact OG1-N 3.23Å; T412-N496 PolarHBondContact O-ND2 2.93Å
413	K	91.5	Very high	88.5	Confident	135 Å²	135	57.3 Å²	57.3	59%	0.587	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60	152	170.7	69.1	178.4	-178.8	179.3	0	110.6	V498	K413-V498 HydrophobicContact CB-CB 4.46Å; K413-V498 HydrophobicContact CB-CG1 4.24Å
414	P	91.7	Very high	87.5	Confident	2 Å²	2	59 Å²	59	1%	0.013	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	139.8	179.8	-22.3	37	0	0	0	112	A432 P437 A494 N496 G499 S501	P414-A432 CarbonylContact C-O 3.57Å; P414-A432 WeakPolarHBondContact CA-O 3.26Å; P414-P437 HydrophobicContact CB-CB 3.9Å; P414-P437 HydrophobicContact CB-CG 4.09Å; P414-P437 HydrophobicContact CG-CB 3.85Å; P414-P437 HydrophobicContact CG-CG 4.17Å; P414-A494 HydrophobicContact CB-CB 3.86Å; P414-N496 WeakPolarHBondContact CD-OD1 3.39Å; P414-N496 HydrophobicContact CG-CB 4.09Å; P414-G499 WeakPolarHBondContact CD-O 3.47Å; P414-S501 WeakPolarHBondContact O-CB 3.38Å
415	E	90.9	Very high	86.4	Confident	101 Å²	101	58.8 Å²	58.8	47%	0.472	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125	175.6	-177.7	177.8	-178.6	0	0	108.7	L417 A431 A432 K472	E415-L417 PolarHBondContact O-N 3.27Å; E415-A431 CarbonylContact O-C 3.52Å; E415-A431 VanDerWaalsContact O-CA 3.24Å; E415-A431 WeakPolarHBondContact O-CA 3.48Å; E415-A432 PolarHBondContact N-O 3.38Å; E415-A432 PolarHBondContact O-N 3.01Å; E415-K472 IonicContact OE2-NZ 3.8Å; E415-K472 PolarHBondContact OE2-NZ 3.24Å
416	I	88.9	Confident	85.7	Confident	31 Å²	31	58.8 Å²	58.8	16%	0.159	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	111.2	176.6	-62.2	-179.5	0	0	0	107.7	H419 V430 A494 A503	I416-H419 HydrophobicContact CG2-CB 4.47Å; I416-V430 CarbonylContact C-O 3.54Å; I416-V430 WeakPolarHBondContact CA-O 3.19Å; I416-A494 HydrophobicContact CG1-CB 4.47Å; I416-A503 HydrophobicContact CD1-CB 3.61Å; I416-A503 HydrophobicContact CG2-CB 4.12Å
417	L	87.5	Confident	85.2	Confident	88 Å²	88	58.8 Å²	58.8	46%	0.461	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	-48.2	-178.1	-64.8	-179.7	0	0	0	111.2	E415 V430 A432 V474	E415-L417 PolarHBondContact O-N 3.27Å; L417-V430 HydrophobicContact CB-CB 4.45Å; L417-V430 HydrophobicContact CB-CG1 4.3Å; L417-V430 HydrophobicContact CD1-CG1 4.2Å; L417-V430 PolarHBondContact N-O 3.28Å; L417-A432 HydrophobicContact CD1-CB 3.81Å; L417-A432 HydrophobicContact CD2-CB 4.35Å; L417-A432 HydrophobicContact CG-CB 4.05Å; L417-V474 HydrophobicContact CD1-CG1 4.25Å
418	T	84.3	Confident	84.9	Confident	55 Å²	55	58.7 Å²	58.7	34%	0.337	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	148.8	179.5	63.9	0	0	0	0	111	D420 V430	T418-D420 WeakPolarHBondContact CB-OD2 3.42Å; T418-V430 PolarHBondContact O-N 3.14Å; T418-V430 VanDerWaalsContact OG1-CG2 3.28Å; T418-V430 WeakPolarHBondContact OG1-CG2 3.33Å
419	H	80.2	Confident	84.7	Confident	88 Å²	88	58.7 Å²	58.7	41%	0.407	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	94.6	173.2	67	-78.5	0	0	0	108.7	I416 Q428 A503 F505	I416-H419 HydrophobicContact CG2-CB 4.47Å; H419-Q428 CarbonylContact C-O 3.53Å; H419-Q428 VanDerWaalsContact CA-O 3.27Å; H419-Q428 WeakPolarHBondContact CA-O 3.02Å; H419-A503 HydrophobicContact CB-CB 4.12Å; H419-F505 HydrophobicContact CB-CE1 4.15Å; H419-F505 HydrophobicContact CB-CE2 4.23Å; H419-F505 HydrophobicContact CB-CZ 3.6Å; H419-F505 AromaticContact CD2-CE1 3.96Å
420	D	82.2	Confident	84.7	Confident	81 Å²	81	56.7 Å²	56.7	43%	0.433	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	149.2	-166.3	-65.9	-49.4	0	0	0	111.7	T418 Q428	T418-D420 WeakPolarHBondContact CB-OD2 3.42Å; D420-Q428 PolarHBondContact N-O 3.07Å; D420-Q428 PolarHBondContact O-N 3.07Å
421	R	79.3	Confident	84.6	Confident	119 Å²	119	56.2 Å²	56.2	45%	0.449	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	111.8	165.5	-175.2	-179.7	-69.7	-97	1.2	108.5	L427 D481	R421-L427 HydrophobicContact CB-CD2 4.25Å; R421-L427 HydrophobicContact CG-CD2 4.15Å; R421-D481 IonicContact NH1-OD2 3.81Å; R421-D481 PolarHBondContact NH1-OD2 3.18Å
422	L	78.8	Confident	84.6	Confident	52 Å²	52	55.4 Å²	55.4	27%	0.272	28%	0.284	S	S	.	.			trans	-73	150.6	176.6	-68	152.6	0	0	0	110.5	N424 G425 M426 Q428 T478	L422-N424 WeakPolarHBondContact CB-OD1 3.31Å; L422-N424 PolarHBondContact O-N 3.16Å; L422-G425 PolarHBondContact O-N 2.81Å; L422-M426 HydrophobicContact CB-CB 4.26Å; L422-M426 WeakPolarHBondContact CB-O 3.48Å; L422-M426 HydrophobicContact CD1-CB 3.83Å; L422-M426 HydrophobicContact CD1-CE 3.99Å; L422-M426 PolarHBondContact N-O 3.16Å; L422-Q428 HydrophobicContact CD1-CB 3.75Å; L422-Q428 HydrophobicContact CG-CB 4.25Å; L422-T478 HydrophobicContact CD1-CG2 4.19Å
423	V	71.3	Confident	84.5	Confident	160 Å²	160	55.2 Å²	55.2	97%	0.97	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.6	-174.3	-169.9	0	0	0	0	112.9
424	N	74.2	Confident	84.4	Confident	104 Å²	104	50.6 Å²	50.6	56%	0.556	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	11.4	-178.1	60.1	-6.2	0	0	0	114.5	L422 M426	L422-N424 WeakPolarHBondContact CB-OD1 3.31Å; L422-N424 PolarHBondContact O-N 3.16Å; N424-M426 WeakPolarHBondContact ND2-CE 3.34Å; N424-M426 PolarHBondContact OD1-N 3.25Å
425	G	73.4	Confident	84.2	Confident	17 Å²	17	52.4 Å²	52.4	18%	0.175	27%	0.274	C	S	.	.	S	Bend	trans	84	8.9	-178.2	0	0	0	0	0	114	L422 D481	L422-G425 PolarHBondContact O-N 2.81Å; G425-D481 WeakPolarHBondContact O-CB 3.4Å; G425-D481 PolarHBondContact O-N 2.92Å
426	M	80.9	Confident	84	Confident	59 Å²	59	52 Å²	52	29%	0.291	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	145.2	173.5	-57.7	-165.3	-56.6	0	0	111.6	L422 N424 I479	L422-M426 HydrophobicContact CB-CB 4.26Å; L422-M426 WeakPolarHBondContact CB-O 3.48Å; L422-M426 HydrophobicContact CD1-CB 3.83Å; L422-M426 HydrophobicContact CD1-CE 3.99Å; L422-M426 PolarHBondContact N-O 3.16Å; N424-M426 WeakPolarHBondContact ND2-CE 3.34Å; N424-M426 PolarHBondContact OD1-N 3.25Å; M426-I479 CarbonylContact C-O 3.54Å; M426-I479 WeakPolarHBondContact CA-O 3.42Å
427	L	83.8	Confident	84	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	134.2	165.1	-55.5	177.1	0	0	0	108.4	R421 W441 T478 I479 F484 V490 F505 F507	R421-L427 HydrophobicContact CB-CD2 4.25Å; R421-L427 HydrophobicContact CG-CD2 4.15Å; L427-W441 HydrophobicContact CB-CH2 3.81Å; L427-W441 HydrophobicContact CB-CZ3 3.99Å; L427-W441 HydrophobicContact CD1-CZ3 4.33Å; L427-T478 CarbonylContact O-C 3.59Å; L427-T478 WeakPolarHBondContact O-CA 3.41Å; L427-I479 HydrophobicContact CB-CG2 3.88Å; L427-I479 HydrophobicContact CD1-CG2 4.19Å; L427-I479 HydrophobicContact CG-CG2 4.42Å; L427-I479 PolarHBondContact N-O 3.09Å; L427-I479 PolarHBondContact O-N 3.04Å; L427-F484 HydrophobicContact CD1-CE2 4.23Å; L427-V490 HydrophobicContact CD1-CB 4.18Å; L427-V490 HydrophobicContact CD1-CG1 3.91Å; L427-V490 HydrophobicContact CD1-CG2 4.36Å; L427-F505 HydrophobicContact CB-CE2 4.39Å; L427-F505 HydrophobicContact CB-CZ 4.25Å; L427-F505 HydrophobicContact CD1-CB 4.42Å; L427-F505 HydrophobicContact CD1-CD2 4.15Å; L427-F505 HydrophobicContact CD1-CG 4.17Å; L427-F505 HydrophobicContact CD2-CD1 3.89Å; L427-F505 HydrophobicContact CD2-CE1 4.11Å; L427-F505 HydrophobicContact CD2-CG 4.21Å; L427-F507 HydrophobicContact CD1-CE2 4.19Å; L427-F507 HydrophobicContact CD1-CZ 4.16Å
428	Q	88	Confident	84.1	Confident	47 Å²	47	49.2 Å²	49.2	22%	0.22	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	138.6	176.9	-178.4	175.6	67	0	0	110.3	H419 D420 L422 V430 T478	H419-Q428 CarbonylContact C-O 3.53Å; H419-Q428 VanDerWaalsContact CA-O 3.27Å; H419-Q428 WeakPolarHBondContact CA-O 3.02Å; D420-Q428 PolarHBondContact N-O 3.07Å; D420-Q428 PolarHBondContact O-N 3.07Å; L422-Q428 HydrophobicContact CD1-CB 3.75Å; L422-Q428 HydrophobicContact CG-CB 4.25Å; Q428-V430 HydrophobicContact CG-CG2 4.13Å; Q428-T478 HydrophobicContact CB-CG2 3.98Å; Q428-T478 HydrophobicContact CG-CG2 4Å
429	C	88.1	Confident	84.3	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	127.4	171.8	-167.9	0	0	0	0	109.7	W441 Y476 S477 C492	C429-W441 HydrophobicContact CB-CH2 3.75Å; C429-W441 HydrophobicContact CB-CZ2 3.64Å; C429-Y476 VanDerWaalsContact O-CA 3.31Å; C429-Y476 WeakPolarHBondContact O-CA 3.45Å; C429-S477 PolarHBondContact N-O 3.13Å; C429-S477 PolarHBondContact O-N 2.88Å; C429-C492 HydrophobicContact CB-CB 3.63Å; C429-C492 WeakPolarHBondContact CB-SG 3.48Å; C429-C492 WeakPolarHBondContact SG-CB 3.34Å; C429-C492 CovalentContact SG-SG 2.03Å; C429-C492 PolarHBondContact SG-SG 3.1Å
430	V	90.6	Very high	84.6	Confident	15 Å²	15	44.4 Å²	44.4	9%	0.091	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	127.6	179.2	-174.1	0	0	0	0	108.9	I416 L417 T418 Q428 V474 V475	I416-V430 CarbonylContact C-O 3.54Å; I416-V430 WeakPolarHBondContact CA-O 3.19Å; L417-V430 HydrophobicContact CB-CB 4.45Å; L417-V430 HydrophobicContact CB-CG1 4.3Å; L417-V430 HydrophobicContact CD1-CG1 4.2Å; L417-V430 PolarHBondContact N-O 3.28Å; T418-V430 PolarHBondContact O-N 3.14Å; T418-V430 VanDerWaalsContact OG1-CG2 3.28Å; T418-V430 WeakPolarHBondContact OG1-CG2 3.33Å; Q428-V430 HydrophobicContact CG-CG2 4.13Å; V430-V474 HydrophobicContact CG1-CG1 3.79Å; V430-V475 WeakPolarHBondContact CA-O 3.43Å
431	A	89.9	Confident	84.7	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	148	180	0	0	0	0	0	112	E415 I439 V475 A494	E415-A431 CarbonylContact O-C 3.52Å; E415-A431 VanDerWaalsContact O-CA 3.24Å; E415-A431 WeakPolarHBondContact O-CA 3.48Å; A431-I439 HydrophobicContact CB-CD1 4.06Å; A431-I439 HydrophobicContact CB-CG1 4.33Å; A431-V475 HydrophobicContact CB-CG2 4.3Å; A431-V475 PolarHBondContact N-O 3.42Å; A431-V475 PolarHBondContact O-N 3.13Å; A431-A494 HydrophobicContact CB-CB 3.49Å; A431-A494 VanDerWaalsContact CB-CB 3.49Å
432	A	90	Very high	84.9	Confident	5 Å²	5	36.5 Å²	36.5	4%	0.041	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	134.8	178	0	0	0	0	0	112.1	P414 E415 L417 K472 L473 V474	P414-A432 CarbonylContact C-O 3.57Å; P414-A432 WeakPolarHBondContact CA-O 3.26Å; E415-A432 PolarHBondContact N-O 3.38Å; E415-A432 PolarHBondContact O-N 3.01Å; L417-A432 HydrophobicContact CD1-CB 3.81Å; L417-A432 HydrophobicContact CD2-CB 4.35Å; L417-A432 HydrophobicContact CG-CB 4.05Å; A432-K472 HydrophobicContact CB-CB 4.41Å; A432-K472 HydrophobicContact CB-CD 4.49Å; A432-L473 VanDerWaalsContact CA-O 3.26Å; A432-L473 WeakPolarHBondContact CA-O 3.35Å; A432-V474 HydrophobicContact CB-CG2 4.04Å
433	G	88.5	Confident	84.8	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.4	178.7	179.7	0	0	0	0	0	113.2	P435 L473	G433-P435 CarbonylContact C-O 3.5Å; G433-L473 PolarHBondContact N-O 2.95Å; G433-L473 PolarHBondContact O-N 3.27Å
434	F	89	Confident	85	Confident	39 Å²	39	28.2 Å²	28.2	17%	0.171	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	130.5	173.5	-170.6	-88	0	0	0	109.7	F325 Y409 N411 T412 L473 N496	F325-F434 HydrophobicContact CD1-CE1 4.48Å; Y409-F434 HydrophobicContact CD1-CE1 4.48Å; Y409-F434 AromaticContact CD1-CZ 3.98Å; Y409-F434 HydrophobicContact CD1-CZ 3.98Å; Y409-F434 HydrophobicContact CG-CZ 4.47Å; N411-F434 CarbonylContact C-O 3.51Å; N411-F434 WeakPolarHBondContact CA-O 3.45Å; N411-F434 WeakPolarHBondContact OD1-CD1 3.42Å; T412-F434 PolarHBondContact N-O 3.05Å; T412-F434 PolarHBondContact O-N 3.17Å; T412-F434 PolarHBondContact OG1-N 3.23Å; F434-L473 HydrophobicContact CD2-CD1 4.29Å; F434-L473 HydrophobicContact CD2-CG 4.41Å; F434-N496 PolarHBondContact O-ND2 2.74Å
435	P	88.3	Confident	84.7	Confident	39 Å²	39	25.9 Å²	25.9	25%	0.253	14%	0.141	S	C	.	.	S	Bend	cis	-58.6	174	-8.4	-22	34.4	0	0	0	113.3	G433 N496	G433-P435 CarbonylContact C-O 3.5Å; P435-N496 PolarHBondContact O-ND2 2.85Å
436	E	87.2	Confident	84.1	Confident	94 Å²	94	28.5 Å²	28.5	44%	0.439	17%	0.167	S	C	.	.			trans	-45.5	123.6	-174.8	-174.3	-179.9	174.1	0	0	113.2	I462 L473 V475	E436-I462 WeakPolarHBondContact OE1-CD1 3.19Å; E436-I462 WeakPolarHBondContact OE1-CG1 3.21Å; E436-L473 HydrophobicContact CB-CD1 3.94Å; E436-V475 HydrophobicContact CG-CG1 4.02Å
437	P	89.1	Confident	83	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.006	19%	0.194	C	C	.	.			trans	-71.8	143.5	175.9	-16.6	30.1	0	0	0	113.3	P414 V475 Y495	P414-P437 HydrophobicContact CB-CB 3.9Å; P414-P437 HydrophobicContact CB-CG 4.09Å; P414-P437 HydrophobicContact CG-CB 3.85Å; P414-P437 HydrophobicContact CG-CG 4.17Å; P437-V475 HydrophobicContact CB-CG2 3.79Å; P437-V475 HydrophobicContact CG-CG2 4.13Å; P437-V475 WeakPolarHBondContact O-CG2 3.15Å; P437-Y495 CarbonylContact C-O 3.56Å; P437-Y495 WeakPolarHBondContact CA-O 3.35Å
438	T	89.3	Confident	81.6	Confident	59 Å²	59	37.9 Å²	37.9	36%	0.362	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	140.6	167.5	-54.6	0	0	0	0	109.8	A494 Y495	T438-A494 CarbonylContact O-C 3.56Å; T438-A494 VanDerWaalsContact O-CA 3.25Å; T438-A494 WeakPolarHBondContact O-CA 3.46Å; T438-Y495 HydrophobicContact CG2-CE1 3.76Å; T438-Y495 HydrophobicContact CG2-CE2 4.5Å; T438-Y495 WeakPolarHBondContact CG2-OH 2.99Å; T438-Y495 PolarHBondContact N-O 3.32Å; T438-Y495 WeakPolarHBondContact O-CD1 2.99Å; T438-Y495 PolarHBondContact O-N 3.21Å
439	I	87.8	Confident	80.1	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	123.1	-179.2	-60.8	176.8	0	0	0	110.9	A431 V458 V460 V475 C492 R493 A494	A431-I439 HydrophobicContact CB-CD1 4.06Å; A431-I439 HydrophobicContact CB-CG1 4.33Å; I439-V458 WeakPolarHBondContact O-CG1 3.37Å; I439-V460 HydrophobicContact CB-CG2 4.24Å; I439-V475 HydrophobicContact CD1-CG2 3.97Å; I439-V475 HydrophobicContact CG1-CG2 4.2Å; I439-C492 WeakPolarHBondContact CG2-SG 3.43Å; I439-R493 WeakPolarHBondContact CA-O 3.39Å; I439-A494 HydrophobicContact CG1-CB 4.16Å
440	D	86.9	Confident	78.8	Confident	41 Å²	41	55.4 Å²	55.4	22%	0.219	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	151	173.2	-73.5	-16.6	0	0	0	111.7	Y442 R493 Y495	D440-Y442 HydrophobicContact CB-CD2 4.41Å; D440-Y442 HydrophobicContact CB-CE2 3.57Å; D440-Y442 PolarHBondContact OD2-OH 2.65Å; D440-R493 PolarHBondContact N-O 2.96Å; D440-R493 PolarHBondContact O-N 3.41Å; D440-Y495 WeakPolarHBondContact OD2-CE1 3.1Å
441	W	84.7	Confident	77.6	Confident	3 Å²	3	56.4 Å²	56.4	1%	0.011	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	136.6	176.9	-66.2	90.4	0	0	0	112.1	L427 C429 V455 S477 I479 V490 E491 C492 F505	L427-W441 HydrophobicContact CB-CH2 3.81Å; L427-W441 HydrophobicContact CB-CZ3 3.99Å; L427-W441 HydrophobicContact CD1-CZ3 4.33Å; C429-W441 HydrophobicContact CB-CH2 3.75Å; C429-W441 HydrophobicContact CB-CZ2 3.64Å; W441-V455 PolarHBondContact O-N 2.87Å; W441-S477 PolarHBondContact NE1-OG 2.9Å; W441-I479 HydrophobicContact CB-CD1 3.95Å; W441-I479 HydrophobicContact CD2-CB 4.1Å; W441-I479 HydrophobicContact CD2-CG2 3.53Å; W441-I479 HydrophobicContact CE3-CG2 3.49Å; W441-I479 VanDerWaalsContact CE3-CG2 3.49Å; W441-I479 HydrophobicContact CG-CB 4.32Å; W441-I479 HydrophobicContact CG-CD1 4.08Å; W441-I479 HydrophobicContact CG-CG2 4.18Å; W441-I479 HydrophobicContact CH2-CG2 3.81Å; W441-I479 HydrophobicContact CZ2-CB 4.48Å; W441-I479 HydrophobicContact CZ2-CG2 3.87Å; W441-I479 HydrophobicContact CZ3-CG2 3.61Å; W441-V490 HydrophobicContact CE3-CG1 3.72Å; W441-V490 HydrophobicContact CZ3-CG1 4.02Å; W441-E491 CarbonylContact C-O 3.56Å; W441-E491 WeakPolarHBondContact CA-O 3.29Å; W441-C492 HydrophobicContact CD2-CB 4.41Å; W441-C492 HydrophobicContact CE3-CB 4.01Å; W441-C492 HydrophobicContact CH2-CB 4.1Å; W441-C492 HydrophobicContact CZ2-CB 4.46Å; W441-C492 HydrophobicContact CZ3-CB 3.87Å; W441-F505 AromaticContact CH2-CE2 3.84Å; W441-F505 HydrophobicContact CH2-CE2 3.84Å; W441-F505 HydrophobicContact CH2-CZ 4.34Å; W441-F505 HydrophobicContact CZ3-CD2 4.05Å; W441-F505 AromaticContact CZ3-CE2 3.54Å; W441-F505 HydrophobicContact CZ3-CE2 3.54Å; W441-F505 HydrophobicContact CZ3-CZ 4.43Å
442	Y	82.4	Confident	76.3	Confident	31 Å²	31	60.4 Å²	60.4	12%	0.122	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	147.6	-178.5	-63	-96.3	0	0	0	111.1	D440 P454 V490 E491 R493	D440-Y442 HydrophobicContact CB-CD2 4.41Å; D440-Y442 HydrophobicContact CB-CE2 3.57Å; D440-Y442 PolarHBondContact OD2-OH 2.65Å; Y442-P454 HydrophobicContact CD1-CB 4.36Å; Y442-P454 HydrophobicContact CE1-CB 4.11Å; Y442-V490 CarbonylContact O-C 3.53Å; Y442-V490 WeakPolarHBondContact O-CA 3.45Å; Y442-E491 PolarHBondContact N-O 3.15Å; Y442-E491 PolarHBondContact O-N 2.69Å; Y442-R493 HydrophobicContact CD2-CB 4.1Å; Y442-R493 HydrophobicContact CE2-CB 3.79Å; Y442-R493 HydrophobicContact CE2-CG 4.41Å
443	F	78.1	Confident	75.1	Confident	30 Å²	30	64.6 Å²	64.6	13%	0.132	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	134.8	174.3	178.7	-103	0	0	0	111.5	P445 V453 V455 F484 H486 V490	F443-P445 HydrophobicContact CE1-CB 4.39Å; F443-V453 PolarHBondContact N-O 2.91Å; F443-V455 HydrophobicContact CB-CG2 3.76Å; F443-F484 HydrophobicContact CB-CD1 3.98Å; F443-F484 HydrophobicContact CB-CE1 3.91Å; F443-F484 HydrophobicContact CD2-CB 4.18Å; F443-F484 AromaticContact CD2-CD1 3.33Å; F443-F484 HydrophobicContact CD2-CD1 3.33Å; F443-F484 AromaticContact CD2-CE1 3.99Å; F443-F484 HydrophobicContact CD2-CE1 3.99Å; F443-F484 AromaticContact CD2-CG 3.98Å; F443-F484 HydrophobicContact CD2-CG 3.98Å; F443-F484 HydrophobicContact CE2-CB 3.95Å; F443-F484 AromaticContact CE2-CD1 3.99Å; F443-F484 HydrophobicContact CE2-CD1 3.99Å; F443-F484 HydrophobicContact CE2-CG 4.25Å; F443-F484 AromaticContact CG-CD1 3.78Å; F443-F484 HydrophobicContact CG-CD1 3.78Å; F443-F484 HydrophobicContact CG-CE1 4.23Å; F443-H486 HydrophobicContact CE1-CB 4.41Å; F443-H486 HydrophobicContact CZ-CB 4.1Å; F443-H486 WeakPolarHBondContact CZ-O 3.32Å; F443-V490 HydrophobicContact CD2-CG2 3.94Å
444	C	74.5	Confident	74.1	Confident	9 Å²	9	68.9 Å²	68.9	6%	0.061	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	106.1	-174.6	-23.1	0	0	0	0	110.2	C451 G488 T489	C444-C451 HydrophobicContact CB-CB 3.93Å; C444-C451 WeakPolarHBondContact CB-SG 3.26Å; C444-C451 WeakPolarHBondContact SG-CB 3.44Å; C444-C451 CovalentContact SG-SG 2Å; C444-C451 PolarHBondContact SG-SG 3.31Å; C444-G488 CarbonylContact O-C 3.51Å; C444-G488 WeakPolarHBondContact O-CA 3.5Å; C444-T489 PolarHBondContact N-O 3.09Å; C444-T489 PolarHBondContact O-N 3.17Å; C444-T489 PolarHBondContact SG-O 2.74Å; C444-T489 VanDerWaalsContact SG-O 3.37Å
445	P	67.9	Low	73	Confident	55 Å²	55	68.6 Å²	68.6	36%	0.357	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	140.2	173.9	25.9	-29.9	0	0	0	110.9	F443 T447 E448	F443-P445 HydrophobicContact CE1-CB 4.39Å; P445-T447 PolarHBondContact O-N 3.44Å; P445-E448 PolarHBondContact O-N 2.71Å
446	G	60.4	Low	71.9	Confident	71 Å²	71	69.4 Å²	69.4	73%	0.732	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	35.2	-160.7	0	0	0	0	0	119.8
447	T	57.7	Low	70.4	Confident	140 Å²	140	70.3 Å²	70.3	86%	0.859	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.7	-2.5	171.6	52.5	0	0	0	0	114.7	P445	P445-T447 PolarHBondContact O-N 3.44Å
448	E	55.7	Low	68.7	Low	117 Å²	117	73.1 Å²	73.1	55%	0.547	43%	0.429	S	S	.	.			trans	-103.8	138.6	-178.9	-68.6	-174.2	167.8	0	0	113.5	P445 R450	P445-E448 PolarHBondContact O-N 2.71Å; E448-R450 VanDerWaalsContact C-N 3.33Å
449	Q	55.7	Low	67.1	Low	205 Å²	205	75.6 Å²	75.6	96%	0.958	44%	0.44	S	S	*	.	S	Bend	trans	-79.7	-5.9	175.2	-81	-177	-13.4	0	0	114.1
450	R	60.9	Low	65.5	Low	210 Å²	210	77.8 Å²	77.8	79%	0.792	45%	0.453	S	S	*	.	S	Bend	trans	-143	124.5	179	-69.9	-175.4	-175.4	177.9	0.8	111.1	E448 S452	E448-R450 VanDerWaalsContact C-N 3.33Å; R450-S452 PolarHBondContact O-N 3.48Å; R450-S452 PolarHBondContact O-OG 3.09Å
451	C	65.1	Low	64.3	Low	35 Å²	35	80.8 Å²	80.8	24%	0.236	47%	0.466	C	S	.	.			trans	-76	116.8	175.6	-45.3	0	0	0	0	109.7	C444	C444-C451 HydrophobicContact CB-CB 3.93Å; C444-C451 WeakPolarHBondContact CB-SG 3.26Å; C444-C451 WeakPolarHBondContact SG-CB 3.44Å; C444-C451 CovalentContact SG-SG 2Å; C444-C451 PolarHBondContact SG-SG 3.31Å
452	S	62.6	Low	62.9	Low	85 Å²	85	85.1 Å²	85.1	59%	0.594	49%	0.488	S	S	*	.			trans	-112.7	-9.5	-171.8	-50.1	0	0	0	0	114.1	R450 P454	R450-S452 PolarHBondContact O-N 3.48Å; R450-S452 PolarHBondContact O-OG 3.09Å; S452-P454 WeakPolarHBondContact O-CD 3.47Å
453	V	65.1	Low	61.8	Low	93 Å²	93	88.9 Å²	88.9	56%	0.564	51%	0.507	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.5	106.8	-171	-171.2	0	0	0	0	110.3	F443	F443-V453 PolarHBondContact N-O 2.91Å
454	P	67.2	Low	60.6	Low	90 Å²	90	94.6 Å²	94.6	58%	0.584	54%	0.539	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	140.7	170.5	26.6	-30.4	0	0	0	110.4	Y442 S452	Y442-P454 HydrophobicContact CD1-CB 4.36Å; Y442-P454 HydrophobicContact CE1-CB 4.11Å; S452-P454 WeakPolarHBondContact O-CD 3.47Å
455	V	66.9	Low	59.4	Low	32 Å²	32	96.4 Å²	96.4	19%	0.194	55%	0.551	C	S	.	*			trans	-113.3	119.8	179.9	-174.6	0	0	0	0	108.7	W441 F443 I479 T483 F484	W441-V455 PolarHBondContact O-N 2.87Å; F443-V455 HydrophobicContact CB-CG2 3.76Å; V455-I479 HydrophobicContact CG1-CD1 4.31Å; V455-T483 HydrophobicContact CG1-CG2 4.06Å; V455-F484 HydrophobicContact CB-CE1 4.41Å; V455-F484 HydrophobicContact CG1-CE1 4.2Å; V455-F484 HydrophobicContact CG2-CE1 4.18Å
456	G	64.4	Low	58.5	Low	56 Å²	56	99.8 Å²	99.8	58%	0.577	58%	0.576	S	S	*	*	S	Bend	trans	-97.6	158.6	174	0	0	0	0	0	112.7
457	P	55	Low	58.2	Low	114 Å²	114	101.2 Å²	101.2	74%	0.74	57%	0.571	S	S	*	*			cis	-109.5	143.1	12.9	36.4	-24.6	0	0	0	114.2
458	V	54	Low	58.4	Low	60 Å²	60	98.2 Å²	98.2	36%	0.364	56%	0.555	S	S	.	*			trans	-89.1	99.3	-177.3	174.1	0	0	0	0	108.8	I439 V460	I439-V458 WeakPolarHBondContact O-CG1 3.37Å; V458-V460 HydrophobicContact CG1-CB 4.48Å; V458-V460 HydrophobicContact CG1-CG2 3.43Å; V458-V460 VanDerWaalsContact CG1-CG2 3.43Å; V458-V460 PolarHBondContact O-N 3.28Å
459	D	55.1	Low	58.8	Low	110 Å²	110	97.7 Å²	97.7	59%	0.588	56%	0.562	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-86.4	101.2	160.5	-108.4	-8.5	0	0	0	107	S477	D459-S477 WeakPolarHBondContact O-CA 3.45Å; D459-S477 PolarHBondContact O-OG 3.34Å; D459-S477 VanDerWaalsContact O-OG 3.09Å
460	V	55	Low	59.6	Low	47 Å²	47	89.5 Å²	89.5	29%	0.285	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	113.3	167.1	171.5	0	0	0	0	106.6	I439 V458 V475 Y476	I439-V460 HydrophobicContact CB-CG2 4.24Å; V458-V460 HydrophobicContact CG1-CB 4.48Å; V458-V460 HydrophobicContact CG1-CG2 3.43Å; V458-V460 VanDerWaalsContact CG1-CG2 3.43Å; V458-V460 PolarHBondContact O-N 3.28Å; V460-V475 HydrophobicContact CG1-CB 4.34Å; V460-Y476 WeakPolarHBondContact CA-O 3.28Å
461	Q	60.9	Low	60	Low	103 Å²	103	80.5 Å²	80.5	48%	0.481	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	126.5	173	-70	-172.8	10.4	0	0	108.4	Q463 Y476	Q461-Q463 PolarHBondContact O-N 2.85Å; Q461-Y476 HydrophobicContact CB-CD2 4.38Å; Q461-Y476 HydrophobicContact CB-CE1 3.87Å; Q461-Y476 HydrophobicContact CB-CE2 3.65Å; Q461-Y476 WeakPolarHBondContact CB-OH 3.32Å; Q461-Y476 HydrophobicContact CG-CE2 4.48Å; Q461-Y476 PolarHBondContact N-O 3.22Å; Q461-Y476 WeakPolarHBondContact O-CD1 3.25Å; Q461-Y476 WeakPolarHBondContact O-CE1 3.2Å; Q461-Y476 PolarHBondContact O-N 3.49Å; Q461-Y476 PolarHBondContact OE1-OH 2.99Å
462	I	57.1	Low	60.7	Low	94 Å²	94	82.8 Å²	82.8	48%	0.482	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	118.3	176.9	-58.5	170.9	0	0	0	107.5	E436 N464	E436-I462 WeakPolarHBondContact OE1-CD1 3.19Å; E436-I462 WeakPolarHBondContact OE1-CG1 3.21Å; I462-N464 PolarHBondContact O-N 3.34Å
463	Q	59.3	Low	61.8	Low	110 Å²	110	82.3 Å²	82.3	51%	0.514	49%	0.493	S	S	.	.			trans	-81.6	104.5	163.7	-155.9	168.6	24.8	0	0	106.4	Q461 S465 Y476	Q461-Q463 PolarHBondContact O-N 2.85Å; Q463-S465 PolarHBondContact O-N 3.41Å; Q463-Y476 HydrophobicContact CB-CD1 3.87Å; Q463-Y476 HydrophobicContact CB-CE1 3.8Å; Q463-Y476 HydrophobicContact CG-CE1 4.38Å
464	N	51.2	Low	62.8	Low	150 Å²	150	79.1 Å²	79.1	80%	0.802	47%	0.473	S	S	*	.			trans	-65	79	170.2	-87	-13.4	0	0	0	109	I462 S466	I462-N464 PolarHBondContact O-N 3.34Å; N464-S466 PolarHBondContact O-N 2.92Å
465	S	50.6	Low	63.7	Low	47 Å²	47	74.9 Å²	74.9	33%	0.329	45%	0.446	S	S	.	.			trans	-70.3	110.8	168.1	51.3	0	0	0	0	107.4	Q463 V467	Q463-S465 PolarHBondContact O-N 3.41Å; S465-V467 PolarHBondContact O-N 2.82Å
466	S	49.7	Very low	64.7	Low	126 Å²	126	75.9 Å²	75.9	88%	0.881	45%	0.446	S	S	*	.			trans	-67	44.1	179	44.2	0	0	0	0	114	N464	N464-S466 PolarHBondContact O-N 2.92Å
467	V	54.2	Low	65.7	Low	101 Å²	101	73.2 Å²	73.2	61%	0.612	42%	0.419	S	S	*	.			trans	-121.7	93.6	-164.5	-172.1	0	0	0	0	111.4	S465	S465-V467 PolarHBondContact O-N 2.82Å
468	S	60.1	Low	67.1	Low	77 Å²	77	69.5 Å²	69.5	54%	0.538	39%	0.394	S	S	.	.			trans	61	131.1	170.5	115.1	0	0	0	0	116.4	F470 G471	S468-F470 PolarHBondContact O-N 3.3Å; S468-F470 PolarHBondContact OG-N 3.23Å; S468-G471 PolarHBondContact O-N 2.87Å; S468-G471 PolarHBondContact OG-N 3.23Å; S468-G471 VanDerWaalsContact OG-N 3.08Å
469	P	65.6	Low	68.5	Low	107 Å²	107	67.1 Å²	67.1	70%	0.695	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-10.9	-179.4	23.4	-30.5	0	0	0	114.5
470	F	72	Confident	69.7	Low	33 Å²	33	65.5 Å²	65.5	15%	0.145	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	15.5	178.7	-59.4	-85	0	0	0	112.5	T390 N407 V408 Y409 S468	T390-F470 HydrophobicContact CG2-CE2 3.78Å; T390-F470 HydrophobicContact CG2-CZ 3.65Å; N407-F470 HydrophobicContact CB-CE1 4.19Å; N407-F470 HydrophobicContact CB-CZ 4.31Å; V408-F470 WeakPolarHBondContact O-CD1 3.38Å; Y409-F470 AromaticContact CD1-CD1 3.77Å; Y409-F470 HydrophobicContact CD1-CD1 3.77Å; Y409-F470 HydrophobicContact CD1-CE1 4.15Å; Y409-F470 AromaticContact CE1-CD1 3.66Å; Y409-F470 HydrophobicContact CE1-CD1 3.66Å; Y409-F470 AromaticContact CE1-CE1 3.74Å; Y409-F470 HydrophobicContact CE1-CE1 3.74Å; Y409-F470 HydrophobicContact CE2-CE1 4.15Å; Y409-F470 HydrophobicContact CG-CD1 4.35Å; Y409-F470 AromaticContact CZ-CE1 3.74Å; S468-F470 PolarHBondContact O-N 3.3Å; S468-F470 PolarHBondContact OG-N 3.23Å
471	G	69.6	Low	70.5	Confident	21 Å²	21	65.3 Å²	65.3	22%	0.216	37%	0.368	C	S	.	.	S	Bend	trans	-88.2	164.2	-176.3	0	0	0	0	0	114.2	S468	S468-G471 PolarHBondContact O-N 2.87Å; S468-G471 PolarHBondContact OG-N 3.23Å; S468-G471 VanDerWaalsContact OG-N 3.08Å
472	K	79.4	Confident	71	Confident	82 Å²	82	64.1 Å²	64.1	36%	0.357	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-63	137.8	169.1	-64.2	-176.2	179	-175.3	0	109.9	E415 A432	E415-K472 IonicContact OE2-NZ 3.8Å; E415-K472 PolarHBondContact OE2-NZ 3.24Å; A432-K472 HydrophobicContact CB-CB 4.41Å; A432-K472 HydrophobicContact CB-CD 4.49Å
473	L	84.9	Confident	71.6	Confident	76 Å²	76	62.8 Å²	62.8	40%	0.398	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	134.7	173.1	-65.2	168.9	0	0	0	109.5	A432 G433 F434 E436	A432-L473 VanDerWaalsContact CA-O 3.26Å; A432-L473 WeakPolarHBondContact CA-O 3.35Å; G433-L473 PolarHBondContact N-O 2.95Å; G433-L473 PolarHBondContact O-N 3.27Å; F434-L473 HydrophobicContact CD2-CD1 4.29Å; F434-L473 HydrophobicContact CD2-CG 4.41Å; E436-L473 HydrophobicContact CB-CD1 3.94Å
474	V	85.9	Confident	72.1	Confident	26 Å²	26	58.7 Å²	58.7	16%	0.158	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	126.7	-179.1	-176.5	0	0	0	0	109.9	L417 V430 A432	L417-V474 HydrophobicContact CD1-CG1 4.25Å; V430-V474 HydrophobicContact CG1-CG1 3.79Å; A432-V474 HydrophobicContact CB-CG2 4.04Å
475	V	87.5	Confident	72.5	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.006	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	151.9	177.5	-65.1	0	0	0	0	110.1	V430 A431 E436 P437 I439 V460	V430-V475 WeakPolarHBondContact CA-O 3.43Å; A431-V475 HydrophobicContact CB-CG2 4.3Å; A431-V475 PolarHBondContact N-O 3.42Å; A431-V475 PolarHBondContact O-N 3.13Å; E436-V475 HydrophobicContact CG-CG1 4.02Å; P437-V475 HydrophobicContact CB-CG2 3.79Å; P437-V475 HydrophobicContact CG-CG2 4.13Å; P437-V475 WeakPolarHBondContact O-CG2 3.15Å; I439-V475 HydrophobicContact CD1-CG2 3.97Å; I439-V475 HydrophobicContact CG1-CG2 4.2Å; V460-V475 HydrophobicContact CG1-CB 4.34Å
476	Y	87.1	Confident	73.1	Confident	52 Å²	52	64.9 Å²	64.9	20%	0.204	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	150.4	172	66.9	-83.8	0	0	0	111.5	C429 V460 Q461 Q463	C429-Y476 VanDerWaalsContact O-CA 3.31Å; C429-Y476 WeakPolarHBondContact O-CA 3.45Å; V460-Y476 WeakPolarHBondContact CA-O 3.28Å; Q461-Y476 HydrophobicContact CB-CD2 4.38Å; Q461-Y476 HydrophobicContact CB-CE1 3.87Å; Q461-Y476 HydrophobicContact CB-CE2 3.65Å; Q461-Y476 WeakPolarHBondContact CB-OH 3.32Å; Q461-Y476 HydrophobicContact CG-CE2 4.48Å; Q461-Y476 PolarHBondContact N-O 3.22Å; Q461-Y476 WeakPolarHBondContact O-CD1 3.25Å; Q461-Y476 WeakPolarHBondContact O-CE1 3.2Å; Q461-Y476 PolarHBondContact O-N 3.49Å; Q461-Y476 PolarHBondContact OE1-OH 2.99Å; Q463-Y476 HydrophobicContact CB-CD1 3.87Å; Q463-Y476 HydrophobicContact CB-CE1 3.8Å; Q463-Y476 HydrophobicContact CG-CE1 4.38Å
477	S	86.5	Confident	74	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	148.1	173.4	-176.7	0	0	0	0	110.2	C429 W441 D459	C429-S477 PolarHBondContact N-O 3.13Å; C429-S477 PolarHBondContact O-N 2.88Å; W441-S477 PolarHBondContact NE1-OG 2.9Å; D459-S477 WeakPolarHBondContact O-CA 3.45Å; D459-S477 PolarHBondContact O-OG 3.34Å; D459-S477 VanDerWaalsContact O-OG 3.09Å
478	T	84.2	Confident	74.8	Confident	37 Å²	37	58.9 Å²	58.9	23%	0.227	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	143.7	178.9	51.8	0	0	0	0	111.6	L422 L427 Q428	L422-T478 HydrophobicContact CD1-CG2 4.19Å; L427-T478 CarbonylContact O-C 3.59Å; L427-T478 WeakPolarHBondContact O-CA 3.41Å; Q428-T478 HydrophobicContact CB-CG2 3.98Å; Q428-T478 HydrophobicContact CG-CG2 4Å
479	I	81.9	Confident	75.7	Confident	9 Å²	9	57.2 Å²	57.2	5%	0.046	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	142.5	174.7	-169	158.8	0	0	0	110.8	M426 L427 W441 V455 F484	M426-I479 CarbonylContact C-O 3.54Å; M426-I479 WeakPolarHBondContact CA-O 3.42Å; L427-I479 HydrophobicContact CB-CG2 3.88Å; L427-I479 HydrophobicContact CD1-CG2 4.19Å; L427-I479 HydrophobicContact CG-CG2 4.42Å; L427-I479 PolarHBondContact N-O 3.09Å; L427-I479 PolarHBondContact O-N 3.04Å; W441-I479 HydrophobicContact CB-CD1 3.95Å; W441-I479 HydrophobicContact CD2-CB 4.1Å; W441-I479 HydrophobicContact CD2-CG2 3.53Å; W441-I479 HydrophobicContact CE3-CG2 3.49Å; W441-I479 VanDerWaalsContact CE3-CG2 3.49Å; W441-I479 HydrophobicContact CG-CB 4.32Å; W441-I479 HydrophobicContact CG-CD1 4.08Å; W441-I479 HydrophobicContact CG-CG2 4.18Å; W441-I479 HydrophobicContact CH2-CG2 3.81Å; W441-I479 HydrophobicContact CZ2-CB 4.48Å; W441-I479 HydrophobicContact CZ2-CG2 3.87Å; W441-I479 HydrophobicContact CZ3-CG2 3.61Å; V455-I479 HydrophobicContact CG1-CD1 4.31Å; I479-F484 HydrophobicContact CD1-CZ 3.85Å; I479-F484 HydrophobicContact CG1-CE2 4.46Å; I479-F484 HydrophobicContact CG1-CZ 4.27Å; I479-F484 HydrophobicContact CG2-CE2 4.38Å; I479-F484 HydrophobicContact CG2-CZ 4.45Å
480	D	80	Confident	76.4	Confident	76 Å²	76	52.1 Å²	52.1	41%	0.406	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	131.2	178.3	-171.6	-28.7	0	0	0	110.6	S482 T483	D480-S482 PolarHBondContact O-N 3.03Å; D480-S482 VanDerWaalsContact OD1-CB 3.24Å; D480-S482 WeakPolarHBondContact OD1-CB 3.22Å; D480-S482 PolarHBondContact OD1-N 3.44Å; D480-S482 PolarHBondContact OD1-OG 2.93Å; D480-S482 PolarHBondContact OD2-OG 3.16Å; D480-T483 WeakPolarHBondContact O-CB 3.49Å; D480-T483 PolarHBondContact O-N 3.45Å; D480-T483 PolarHBondContact O-OG1 2.9Å
481	D	73.3	Confident	77.1	Confident	44 Å²	44	52.3 Å²	52.3	24%	0.235	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-69.6	-20.5	179.4	73.5	9.3	0	0	0	113.6	R421 G425 T483 F484 F507	R421-D481 IonicContact NH1-OD2 3.81Å; R421-D481 PolarHBondContact NH1-OD2 3.18Å; G425-D481 WeakPolarHBondContact O-CB 3.4Å; G425-D481 PolarHBondContact O-N 2.92Å; D481-T483 PolarHBondContact O-N 3.5Å; D481-F484 PolarHBondContact O-N 3.32Å; D481-F507 HydrophobicContact CB-CE1 4.13Å; D481-F507 HydrophobicContact CB-CZ 3.95Å
482	S	71.6	Confident	78	Confident	77 Å²	77	51.3 Å²	51.3	54%	0.538	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-67.4	-13.6	175.8	70.1	0	0	0	0	113.3	D480 F484	D480-S482 PolarHBondContact O-N 3.03Å; D480-S482 VanDerWaalsContact OD1-CB 3.24Å; D480-S482 WeakPolarHBondContact OD1-CB 3.22Å; D480-S482 PolarHBondContact OD1-N 3.44Å; D480-S482 PolarHBondContact OD1-OG 2.93Å; D480-S482 PolarHBondContact OD2-OG 3.16Å; S482-F484 PolarHBondContact O-N 3.31Å
483	T	68	Low	78.5	Confident	67 Å²	67	50 Å²	50	41%	0.411	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-66.5	-21.7	174.4	-34.5	0	0	0	0	112.2	V455 D480 D481	V455-T483 HydrophobicContact CG1-CG2 4.06Å; D480-T483 WeakPolarHBondContact O-CB 3.49Å; D480-T483 PolarHBondContact O-N 3.45Å; D480-T483 PolarHBondContact O-OG1 2.9Å; D481-T483 PolarHBondContact O-N 3.5Å
484	F	70.2	Confident	78.8	Confident	24 Å²	24	46.4 Å²	46.4	11%	0.105	24%	0.238	C	C	.	.			trans	-106.4	97.3	-174	-48.8	-71.7	0	0	0	111.8	L427 F443 V455 I479 D481 S482 H486 V490 F507	L427-F484 HydrophobicContact CD1-CE2 4.23Å; F443-F484 HydrophobicContact CB-CD1 3.98Å; F443-F484 HydrophobicContact CB-CE1 3.91Å; F443-F484 HydrophobicContact CD2-CB 4.18Å; F443-F484 AromaticContact CD2-CD1 3.33Å; F443-F484 HydrophobicContact CD2-CD1 3.33Å; F443-F484 AromaticContact CD2-CE1 3.99Å; F443-F484 HydrophobicContact CD2-CE1 3.99Å; F443-F484 AromaticContact CD2-CG 3.98Å; F443-F484 HydrophobicContact CD2-CG 3.98Å; F443-F484 HydrophobicContact CE2-CB 3.95Å; F443-F484 AromaticContact CE2-CD1 3.99Å; F443-F484 HydrophobicContact CE2-CD1 3.99Å; F443-F484 HydrophobicContact CE2-CG 4.25Å; F443-F484 AromaticContact CG-CD1 3.78Å; F443-F484 HydrophobicContact CG-CD1 3.78Å; F443-F484 HydrophobicContact CG-CE1 4.23Å; V455-F484 HydrophobicContact CB-CE1 4.41Å; V455-F484 HydrophobicContact CG1-CE1 4.2Å; V455-F484 HydrophobicContact CG2-CE1 4.18Å; I479-F484 HydrophobicContact CD1-CZ 3.85Å; I479-F484 HydrophobicContact CG1-CE2 4.46Å; I479-F484 HydrophobicContact CG1-CZ 4.27Å; I479-F484 HydrophobicContact CG2-CE2 4.38Å; I479-F484 HydrophobicContact CG2-CZ 4.45Å; D481-F484 PolarHBondContact O-N 3.32Å; S482-F484 PolarHBondContact O-N 3.31Å; F484-H486 PolarHBondContact O-N 2.98Å; F484-V490 HydrophobicContact CD1-CG2 3.9Å; F484-V490 HydrophobicContact CD2-CG2 3.69Å; F484-V490 HydrophobicContact CE1-CG1 4.41Å; F484-V490 HydrophobicContact CE1-CG2 3.79Å; F484-V490 HydrophobicContact CE2-CG1 4.13Å; F484-V490 HydrophobicContact CE2-CG2 3.59Å; F484-V490 HydrophobicContact CG-CG2 3.83Å; F484-V490 HydrophobicContact CZ-CB 4.39Å; F484-V490 HydrophobicContact CZ-CG1 3.78Å; F484-V490 HydrophobicContact CZ-CG2 3.62Å; F484-F507 HydrophobicContact CD2-CZ 4.47Å
485	K	60.8	Low	79	Confident	185 Å²	185	49.5 Å²	49.5	80%	0.804	25%	0.248	S	C	*	.			trans	-84.1	-3.4	-176.2	-65.8	-175.8	180	178.4	0	115.3
486	H	63.5	Low	79.2	Confident	141 Å²	141	50.3 Å²	50.3	65%	0.653	25%	0.252	S	S	*	.	S	Bend	trans	-126.6	153.1	-172.3	-60.8	-59.4	0	0	0	111.5	F443 F484 G488	F443-H486 HydrophobicContact CE1-CB 4.41Å; F443-H486 HydrophobicContact CZ-CB 4.1Å; F443-H486 WeakPolarHBondContact CZ-O 3.32Å; F484-H486 PolarHBondContact O-N 2.98Å; H486-G488 PolarHBondContact O-N 3.02Å
487	N	66.6	Low	79.3	Confident	95 Å²	95	55.3 Å²	55.3	51%	0.508	28%	0.282	S	S	.	.	S	Bend	trans	-61.2	125.3	170.8	-77.4	-14.4	0	0	0	109.7	F509	N487-F509 WeakPolarHBondContact OD1-CD2 3.21Å
488	G	72	Confident	79.4	Confident	6 Å²	6	57.8 Å²	57.8	6%	0.062	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178	-177	-177.6	0	0	0	0	0	112.7	C444 H486 F507	C444-G488 CarbonylContact O-C 3.51Å; C444-G488 WeakPolarHBondContact O-CA 3.5Å; H486-G488 PolarHBondContact O-N 3.02Å; G488-F507 WeakPolarHBondContact O-CB 3.35Å; G488-F507 PolarHBondContact O-N 3.43Å
489	T	78.8	Confident	79.7	Confident	42 Å²	42	57.2 Å²	57.2	26%	0.258	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	136.9	176	-60	0	0	0	0	108.9	C444 F505 N506	C444-T489 PolarHBondContact N-O 3.09Å; C444-T489 PolarHBondContact O-N 3.17Å; C444-T489 PolarHBondContact SG-O 2.74Å; C444-T489 VanDerWaalsContact SG-O 3.37Å; T489-F505 WeakPolarHBondContact CA-O 3.33Å; T489-N506 PolarHBondContact OG1-OD1 2.69Å
490	V	81.1	Confident	80.2	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	126.4	173.6	176.2	0	0	0	0	108.5	L427 W441 Y442 F443 F484 S504 F505 F507	L427-V490 HydrophobicContact CD1-CB 4.18Å; L427-V490 HydrophobicContact CD1-CG1 3.91Å; L427-V490 HydrophobicContact CD1-CG2 4.36Å; W441-V490 HydrophobicContact CE3-CG1 3.72Å; W441-V490 HydrophobicContact CZ3-CG1 4.02Å; Y442-V490 CarbonylContact O-C 3.53Å; Y442-V490 WeakPolarHBondContact O-CA 3.45Å; F443-V490 HydrophobicContact CD2-CG2 3.94Å; F484-V490 HydrophobicContact CD1-CG2 3.9Å; F484-V490 HydrophobicContact CD2-CG2 3.69Å; F484-V490 HydrophobicContact CE1-CG1 4.41Å; F484-V490 HydrophobicContact CE1-CG2 3.79Å; F484-V490 HydrophobicContact CE2-CG1 4.13Å; F484-V490 HydrophobicContact CE2-CG2 3.59Å; F484-V490 HydrophobicContact CG-CG2 3.83Å; F484-V490 HydrophobicContact CZ-CB 4.39Å; F484-V490 HydrophobicContact CZ-CG1 3.78Å; F484-V490 HydrophobicContact CZ-CG2 3.62Å; V490-S504 CarbonylContact O-C 3.51Å; V490-S504 VanDerWaalsContact O-CA 3.31Å; V490-S504 WeakPolarHBondContact O-CA 3.07Å; V490-F505 HydrophobicContact CB-CB 4.31Å; V490-F505 HydrophobicContact CG1-CD2 4.48Å; V490-F505 PolarHBondContact N-O 2.6Å; V490-F505 PolarHBondContact O-N 2.75Å; V490-F507 HydrophobicContact CB-CE2 4.27Å; V490-F507 HydrophobicContact CG2-CD2 4.12Å; V490-F507 HydrophobicContact CG2-CE2 3.59Å
491	E	86.1	Confident	80.8	Confident	37 Å²	37	62.3 Å²	62.3	17%	0.173	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	124.7	178.5	177.6	-177.1	-135	0	0	110	W441 Y442 R493 S502 A503	W441-E491 CarbonylContact C-O 3.56Å; W441-E491 WeakPolarHBondContact CA-O 3.29Å; Y442-E491 PolarHBondContact N-O 3.15Å; Y442-E491 PolarHBondContact O-N 2.69Å; E491-R493 IonicContact OE1-NH2 3.9Å; E491-R493 IonicContact OE2-CZ 2.73Å; E491-R493 IonicContact OE2-NE 3.78Å; E491-R493 IonicContact OE2-NH2 3.97Å; E491-R493 PolarHBondContact OE2-NH2 3.03Å; E491-S502 WeakPolarHBondContact OE1-CB 3.48Å; E491-A503 CarbonylContact C-O 3.48Å; E491-A503 WeakPolarHBondContact CA-O 3.43Å
492	C	88	Confident	81.6	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	129.6	162.9	164.6	0	0	0	0	108.6	C429 I439 W441 S502 A503	C429-C492 HydrophobicContact CB-CB 3.63Å; C429-C492 WeakPolarHBondContact CB-SG 3.48Å; C429-C492 WeakPolarHBondContact SG-CB 3.34Å; C429-C492 CovalentContact SG-SG 2.03Å; C429-C492 PolarHBondContact SG-SG 3.1Å; I439-C492 WeakPolarHBondContact CG2-SG 3.43Å; W441-C492 HydrophobicContact CD2-CB 4.41Å; W441-C492 HydrophobicContact CE3-CB 4.01Å; W441-C492 HydrophobicContact CH2-CB 4.1Å; W441-C492 HydrophobicContact CZ2-CB 4.46Å; W441-C492 HydrophobicContact CZ3-CB 3.87Å; C492-S502 CarbonylContact O-C 3.54Å; C492-S502 WeakPolarHBondContact O-CA 3.49Å; C492-A503 PolarHBondContact N-O 2.8Å; C492-A503 PolarHBondContact O-N 3.16Å
493	R	89.8	Confident	82.4	Confident	56 Å²	56	59.5 Å²	59.5	21%	0.211	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	116.7	177.8	179.5	177.3	-62.9	164.6	7.8	110.5	I439 D440 Y442 E491 S501 S502	I439-R493 WeakPolarHBondContact CA-O 3.39Å; D440-R493 PolarHBondContact N-O 2.96Å; D440-R493 PolarHBondContact O-N 3.41Å; Y442-R493 HydrophobicContact CD2-CB 4.1Å; Y442-R493 HydrophobicContact CE2-CB 3.79Å; Y442-R493 HydrophobicContact CE2-CG 4.41Å; E491-R493 IonicContact OE1-NH2 3.9Å; E491-R493 IonicContact OE2-CZ 2.73Å; E491-R493 IonicContact OE2-NE 3.78Å; E491-R493 IonicContact OE2-NH2 3.97Å; E491-R493 PolarHBondContact OE2-NH2 3.03Å; R493-S501 CarbonylContact C-O 3.52Å; R493-S501 WeakPolarHBondContact CA-O 3.43Å; R493-S502 WeakPolarHBondContact CG-OG 3.42Å
494	A	91.1	Very high	83.2	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	133.4	172.9	0	0	0	0	0	110.6	P414 I416 A431 T438 I439 K500 S501	P414-A494 HydrophobicContact CB-CB 3.86Å; I416-A494 HydrophobicContact CG1-CB 4.47Å; A431-A494 HydrophobicContact CB-CB 3.49Å; A431-A494 VanDerWaalsContact CB-CB 3.49Å; T438-A494 CarbonylContact O-C 3.56Å; T438-A494 VanDerWaalsContact O-CA 3.25Å; T438-A494 WeakPolarHBondContact O-CA 3.46Å; I439-A494 HydrophobicContact CG1-CB 4.16Å; A494-K500 CarbonylContact O-C 3.55Å; A494-K500 VanDerWaalsContact O-CA 3.24Å; A494-K500 WeakPolarHBondContact O-CA 3.37Å; A494-S501 PolarHBondContact N-O 3.05Å; A494-S501 PolarHBondContact O-N 2.84Å
495	Y	91.7	Very high	83.7	Confident	90 Å²	90	59.1 Å²	59.1	35%	0.353	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	153.3	179.6	70.4	-85.6	0	0	0	112.9	P437 T438 D440 G499	P437-Y495 CarbonylContact C-O 3.56Å; P437-Y495 WeakPolarHBondContact CA-O 3.35Å; T438-Y495 HydrophobicContact CG2-CE1 3.76Å; T438-Y495 HydrophobicContact CG2-CE2 4.5Å; T438-Y495 WeakPolarHBondContact CG2-OH 2.99Å; T438-Y495 PolarHBondContact N-O 3.32Å; T438-Y495 WeakPolarHBondContact O-CD1 2.99Å; T438-Y495 PolarHBondContact O-N 3.21Å; D440-Y495 WeakPolarHBondContact OD2-CE1 3.1Å; Y495-G499 VanDerWaalsContact CA-O 3.28Å; Y495-G499 WeakPolarHBondContact CA-O 3.35Å
496	N	90.9	Very high	84.1	Confident	18 Å²	18	56.2 Å²	56.2	10%	0.096	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	-172.5	167.4	69.1	5.6	0	0	0	109	T412 P414 F434 P435 V498 G499	T412-N496 PolarHBondContact O-ND2 2.93Å; P414-N496 WeakPolarHBondContact CD-OD1 3.39Å; P414-N496 HydrophobicContact CG-CB 4.09Å; F434-N496 PolarHBondContact O-ND2 2.74Å; P435-N496 PolarHBondContact O-ND2 2.85Å; N496-V498 PolarHBondContact O-N 2.88Å; N496-V498 WeakPolarHBondContact OD1-CA 3.22Å; N496-V498 WeakPolarHBondContact OD1-CB 3.42Å; N496-V498 PolarHBondContact OD1-N 2.91Å; N496-G499 PolarHBondContact N-O 2.7Å; N496-G499 PolarHBondContact O-N 2.93Å; N496-G499 PolarHBondContact OD1-N 2.87Å
497	D	89.7	Confident	84.2	Confident	157 Å²	157	51.5 Å²	51.5	84%	0.84	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-16.5	-179.5	-63.7	-21.7	0	0	0	114.4
498	V	88.9	Confident	83.5	Confident	53 Å²	53	51.4 Å²	51.4	32%	0.321	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-33.9	-178.3	-171.3	0	0	0	0	112.2	N411 K413 N496	N411-V498 HydrophobicContact CB-CG2 3.55Å; K413-V498 HydrophobicContact CB-CB 4.46Å; K413-V498 HydrophobicContact CB-CG1 4.24Å; N496-V498 PolarHBondContact O-N 2.88Å; N496-V498 WeakPolarHBondContact OD1-CA 3.22Å; N496-V498 WeakPolarHBondContact OD1-CB 3.42Å; N496-V498 PolarHBondContact OD1-N 2.91Å
499	G	90.7	Very high	82.4	Confident	25 Å²	25	59.4 Å²	59.4	26%	0.258	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	172.1	-168.1	-176.7	0	0	0	0	0	114.7	P414 Y495 N496	P414-G499 WeakPolarHBondContact CD-O 3.47Å; Y495-G499 VanDerWaalsContact CA-O 3.28Å; Y495-G499 WeakPolarHBondContact CA-O 3.35Å; N496-G499 PolarHBondContact N-O 2.7Å; N496-G499 PolarHBondContact O-N 2.93Å; N496-G499 PolarHBondContact OD1-N 2.87Å
500	K	92	Very high	80.2	Confident	151 Å²	151	67.8 Å²	67.8	66%	0.657	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.4	151.6	-175.9	64.6	-173.5	177.9	-173.9	0	112.4	A494	A494-K500 CarbonylContact O-C 3.55Å; A494-K500 VanDerWaalsContact O-CA 3.24Å; A494-K500 WeakPolarHBondContact O-CA 3.37Å
501	S	92.1	Very high	78	Confident	40 Å²	40	71 Å²	71	28%	0.28	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	152.6	172.2	-169.3	0	0	0	0	109.5	P414 R493 A494	P414-S501 WeakPolarHBondContact O-CB 3.38Å; R493-S501 CarbonylContact C-O 3.52Å; R493-S501 WeakPolarHBondContact CA-O 3.43Å; A494-S501 PolarHBondContact N-O 3.05Å; A494-S501 PolarHBondContact O-N 2.84Å
502	S	90.1	Very high	75.2	Confident	49 Å²	49	77.2 Å²	77.2	34%	0.343	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	147.4	-175.8	-53.2	0	0	0	0	112.2	E491 C492 R493	E491-S502 WeakPolarHBondContact OE1-CB 3.48Å; C492-S502 CarbonylContact O-C 3.54Å; C492-S502 WeakPolarHBondContact O-CA 3.49Å; R493-S502 WeakPolarHBondContact CG-OG 3.42Å
503	A	88.2	Confident	72.5	Confident	14 Å²	14	82.4 Å²	82.4	12%	0.116	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	143.6	177.4	0	0	0	0	0	110	I416 H419 E491 C492	I416-A503 HydrophobicContact CD1-CB 3.61Å; I416-A503 HydrophobicContact CG2-CB 4.12Å; H419-A503 HydrophobicContact CB-CB 4.12Å; E491-A503 CarbonylContact C-O 3.48Å; E491-A503 WeakPolarHBondContact CA-O 3.43Å; C492-A503 PolarHBondContact N-O 2.8Å; C492-A503 PolarHBondContact O-N 3.16Å
504	S	84.5	Confident	69.6	Low	65 Å²	65	89.8 Å²	89.8	46%	0.455	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	135.1	-170.7	58.7	0	0	0	0	113.2	V490	V490-S504 CarbonylContact O-C 3.51Å; V490-S504 VanDerWaalsContact O-CA 3.31Å; V490-S504 WeakPolarHBondContact O-CA 3.07Å
505	F	81	Confident	66.8	Low	18 Å²	18	98.6 Å²	98.6	8%	0.079	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123.5	172	-58.2	-92.4	0	0	0	110.3	H419 L427 W441 T489 V490 F507	H419-F505 HydrophobicContact CB-CE1 4.15Å; H419-F505 HydrophobicContact CB-CE2 4.23Å; H419-F505 HydrophobicContact CB-CZ 3.6Å; H419-F505 AromaticContact CD2-CE1 3.96Å; L427-F505 HydrophobicContact CB-CE2 4.39Å; L427-F505 HydrophobicContact CB-CZ 4.25Å; L427-F505 HydrophobicContact CD1-CB 4.42Å; L427-F505 HydrophobicContact CD1-CD2 4.15Å; L427-F505 HydrophobicContact CD1-CG 4.17Å; L427-F505 HydrophobicContact CD2-CD1 3.89Å; L427-F505 HydrophobicContact CD2-CE1 4.11Å; L427-F505 HydrophobicContact CD2-CG 4.21Å; W441-F505 AromaticContact CH2-CE2 3.84Å; W441-F505 HydrophobicContact CH2-CE2 3.84Å; W441-F505 HydrophobicContact CH2-CZ 4.34Å; W441-F505 HydrophobicContact CZ3-CD2 4.05Å; W441-F505 AromaticContact CZ3-CE2 3.54Å; W441-F505 HydrophobicContact CZ3-CE2 3.54Å; W441-F505 HydrophobicContact CZ3-CZ 4.43Å; T489-F505 WeakPolarHBondContact CA-O 3.33Å; V490-F505 HydrophobicContact CB-CB 4.31Å; V490-F505 HydrophobicContact CG1-CD2 4.48Å; V490-F505 PolarHBondContact N-O 2.6Å; V490-F505 PolarHBondContact O-N 2.75Å; F505-F507 HydrophobicContact CB-CE2 4.46Å
506	N	70.1	Confident	63.9	Low	123 Å²	123	102.4 Å²	102.4	66%	0.658	56%	0.557	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-92.3	128.8	179.1	-70.1	-36.5	0	0	0	111.9	T489	T489-N506 PolarHBondContact OG1-OD1 2.69Å
507	F	64.2	Low	61.1	Low	43 Å²	43	109.7 Å²	109.7	19%	0.189	59%	0.594	C	S	.	*			trans	-109.6	118.2	169.8	-69.6	-102	0	0	0	110.4	L427 D481 F484 G488 V490 F505	L427-F507 HydrophobicContact CD1-CE2 4.19Å; L427-F507 HydrophobicContact CD1-CZ 4.16Å; D481-F507 HydrophobicContact CB-CE1 4.13Å; D481-F507 HydrophobicContact CB-CZ 3.95Å; F484-F507 HydrophobicContact CD2-CZ 4.47Å; G488-F507 WeakPolarHBondContact O-CB 3.35Å; G488-F507 PolarHBondContact O-N 3.43Å; V490-F507 HydrophobicContact CB-CE2 4.27Å; V490-F507 HydrophobicContact CG2-CD2 4.12Å; V490-F507 HydrophobicContact CG2-CE2 3.59Å; F505-F507 HydrophobicContact CB-CE2 4.46Å
508	A	51.8	Low	58.4	Low	93 Å²	93	109.3 Å²	109.3	77%	0.769	59%	0.587	S	S	*	*			trans	-129	107.9	171.1	0	0	0	0	0	109.8	K510	A508-K510 PolarHBondContact O-N 3.03Å
509	F	49.5	Very low	55.9	Low	173 Å²	173	111.1 Å²	111.1	76%	0.759	61%	0.608	S	S	*	*			trans	-68.3	119.3	165.3	-85.1	-86.2	0	0	0	109	N487 G511	N487-F509 WeakPolarHBondContact OD1-CD2 3.21Å; F509-G511 PolarHBondContact O-N 2.94Å
510	K	33.8	Very low	53.8	Low	218 Å²	218	119.1 Å²	119.1	95%	0.948	64%	0.638	S	S	*	*			trans	-46.5	103.5	-176.9	-94.6	176.6	171.4	173.1	0	112.7	A508	A508-K510 PolarHBondContact O-N 3.03Å
511	G	33.7	Very low	51.6	Low	67 Å²	67	117 Å²	117	69%	0.691	64%	0.638	S	S	*	*			trans	-122.1	122.1	162.2	0	0	0	0	0	109.5	F509 S513	F509-G511 PolarHBondContact O-N 2.94Å; G511-S513 PolarHBondContact O-N 2.84Å
512	N	27.2	Very low	49.8	Very low	168 Å²	168	122.5 Å²	122.5	90%	0.898	66%	0.663	S	S	*	*			trans	-66.8	118	-176.6	-75.1	-30.1	0	0	0	112.5
513	S	31.9	Very low	48.1	Very low	110 Å²	110	128 Å²	128	77%	0.769	68%	0.681	S	S	*	*			trans	-169.1	100.6	149.3	48.5	0	0	0	0	110.5	G511	G511-S513 PolarHBondContact O-N 2.84Å
514	K	28	Very low	46.8	Very low	211 Å²	211	130.9 Å²	130.9	92%	0.917	70%	0.698	S	S	*	*			trans	-81.4	114.6	159.3	-73.4	179.1	175.6	179	0	106.9
515	E	33.6	Very low	45.8	Very low	185 Å²	185	132.9 Å²	132.9	86%	0.864	71%	0.709	S	S	*	*			trans	-125.5	120.7	162.1	-83.8	-170.8	156	0	0	109.9
516	Q	29.9	Very low	45	Very low	169 Å²	169	138.8 Å²	138.8	79%	0.79	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-82.7	126.7	176.7	-76.4	172.2	-43.4	0	0	109.7
517	I	31.7	Very low	44.8	Very low	172 Å²	172	138.1 Å²	138.1	88%	0.882	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-90.5	116.4	168.8	-62.4	174	0	0	0	108.4
518	H	34	Very low	45.1	Very low	149 Å²	149	140.5 Å²	140.5	69%	0.69	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-81.3	129.2	173.2	-81.2	43.6	0	0	0	110.6
519	A	35.6	Very low	46.3	Very low	91 Å²	91	138 Å²	138	75%	0.752	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-87.6	123.3	171.9	0	0	0	0	0	110.6	T521	A519-T521 PolarHBondContact O-N 2.87Å
520	H	46.5	Very low	47.9	Very low	192 Å²	192	137.6 Å²	137.6	89%	0.889	73%	0.732	S	S	*	*			trans	-73.6	112.9	175.8	-77	-80.6	0	0	0	111.4
521	T	47.1	Very low	50.1	Low	108 Å²	108	131.9 Å²	131.9	66%	0.663	71%	0.714	S	S	*	*			trans	-95.9	95.6	174.8	43.3	0	0	0	0	110.3	A519	A519-T521 PolarHBondContact O-N 2.87Å
522	L	54.6	Low	52.6	Low	155 Å²	155	133.3 Å²	133.3	81%	0.812	71%	0.705	S	S	*	*	S	Bend	trans	-150.3	6.4	167.3	-114.9	135.9	0	0	0	117.1
523	F	53.6	Low	55.4	Low	165 Å²	165	127.9 Å²	127.9	72%	0.724	68%	0.684	S	S	*	*	S	Bend	trans	-134	4.7	173.4	-82.1	-83.2	0	0	0	115	L527	F523-L527 HydrophobicContact CB-CD1 4.3Å
524	T	60.8	Low	58	Low	74 Å²	74	125.1 Å²	125.1	45%	0.454	67%	0.668	S	S	.	*	H	α-helix	trans	-66.7	-40.3	-168.6	7.4	0	0	0	0	116.5	L526 I528	T524-L526 PolarHBondContact O-N 2.95Å; T524-I528 HydrophobicContact CG2-CD1 4.24Å; T524-I528 WeakPolarHBondContact O-CB 3.39Å; T524-I528 VanDerWaalsContact O-CD1 3.26Å; T524-I528 WeakPolarHBondContact O-CD1 3.28Å; T524-I528 WeakPolarHBondContact O-CG1 3.2Å; T524-I528 PolarHBondContact O-N 2.81Å
525	P	62.7	Low	60.9	Low	106 Å²	106	116.6 Å²	116.6	69%	0.688	64%	0.639	S	S	*	*	H	α-helix	trans	-70.3	-36.1	-173	-1.5	8.7	0	0	0	114	G529	P525-G529 PolarHBondContact O-N 2.72Å; P525-G529 VanDerWaalsContact O-N 3.15Å
526	L	64	Low	63.6	Low	143 Å²	143	113 Å²	113	75%	0.749	63%	0.626	S	S	*	*	H	α-helix	trans	-73.8	-37.7	179	-88	157.8	0	0	0	112.2	T524 G529 F530	T524-L526 PolarHBondContact O-N 2.95Å; L526-G529 PolarHBondContact O-N 2.88Å; L526-F530 PolarHBondContact O-N 2.89Å; L526-F530 VanDerWaalsContact O-N 3.11Å
527	L	65.9	Low	66.4	Low	108 Å²	108	110.6 Å²	110.6	57%	0.565	62%	0.616	S	S	*	*	H	α-helix	trans	-67.4	-40.9	174.4	-103.3	139.9	0	0	0	111.9	F523 G529 F530 V531	F523-L527 HydrophobicContact CB-CD1 4.3Å; L527-G529 VanDerWaalsContact C-N 3.34Å; L527-G529 PolarHBondContact O-N 2.91Å; L527-F530 PolarHBondContact O-N 2.94Å; L527-V531 WeakPolarHBondContact O-CB 3.28Å; L527-V531 WeakPolarHBondContact O-CG2 3.41Å; L527-V531 PolarHBondContact O-N 2.84Å
528	I	71.4	Confident	69.1	Low	94 Å²	94	106.4 Å²	106.4	48%	0.482	60%	0.601	S	S	.	*	H	α-helix	trans	-62.3	-42.9	175.5	-67.8	162.8	0	0	0	110.5	T524 F530 V531 I532	T524-I528 HydrophobicContact CG2-CD1 4.24Å; T524-I528 WeakPolarHBondContact O-CB 3.39Å; T524-I528 VanDerWaalsContact O-CD1 3.26Å; T524-I528 WeakPolarHBondContact O-CD1 3.28Å; T524-I528 WeakPolarHBondContact O-CG1 3.2Å; T524-I528 PolarHBondContact O-N 2.81Å; I528-F530 PolarHBondContact O-N 3.2Å; I528-V531 PolarHBondContact O-N 2.93Å; I528-I532 HydrophobicContact CG2-CD1 3.62Å; I528-I532 HydrophobicContact CG2-CG1 4.29Å; I528-I532 WeakPolarHBondContact O-CB 3.27Å; I528-I532 VanDerWaalsContact O-CG1 3.23Å; I528-I532 WeakPolarHBondContact O-CG1 3.22Å; I528-I532 PolarHBondContact O-N 2.74Å
529	G	77.4	Confident	71.6	Confident	40 Å²	40	103.8 Å²	103.8	41%	0.412	59%	0.591	S	S	.	*	H	α-helix	trans	-60.5	-44.1	176.1	0	0	0	0	0	113.3	P525 L526 L527 I532 A533	P525-G529 PolarHBondContact O-N 2.72Å; P525-G529 VanDerWaalsContact O-N 3.15Å; L526-G529 PolarHBondContact O-N 2.88Å; L527-G529 VanDerWaalsContact C-N 3.34Å; L527-G529 PolarHBondContact O-N 2.91Å; G529-I532 PolarHBondContact O-N 2.7Å; G529-A533 WeakPolarHBondContact O-CB 3.2Å; G529-A533 PolarHBondContact O-N 2.82Å
530	F	81.6	Confident	74.2	Confident	165 Å²	165	105 Å²	105	72%	0.724	58%	0.579	S	S	*	*	H	α-helix	trans	-67.3	-39.4	177.1	-116.5	-84.2	0	0	0	112.7	L526 L527 I528 A533 A534	L526-F530 PolarHBondContact O-N 2.89Å; L526-F530 VanDerWaalsContact O-N 3.11Å; L527-F530 PolarHBondContact O-N 2.94Å; I528-F530 PolarHBondContact O-N 3.2Å; F530-A533 PolarHBondContact O-N 2.81Å; F530-A534 VanDerWaalsContact O-CB 3.24Å; F530-A534 WeakPolarHBondContact O-CB 3.35Å; F530-A534 PolarHBondContact O-N 3.42Å
531	V	81.6	Confident	76.1	Confident	97 Å²	97	99.3 Å²	99.3	59%	0.588	56%	0.558	S	S	*	*	H	α-helix	trans	-67.8	-39.2	177.5	172	0	0	0	0	111.3	L527 I528 G535	L527-V531 WeakPolarHBondContact O-CB 3.28Å; L527-V531 WeakPolarHBondContact O-CG2 3.41Å; L527-V531 PolarHBondContact O-N 2.84Å; I528-V531 PolarHBondContact O-N 2.93Å; V531-G535 PolarHBondContact O-N 3.5Å
532	I	85.2	Confident	77.9	Confident	98 Å²	98	100.8 Å²	100.8	50%	0.503	56%	0.559	S	S	.	*	H	α-helix	trans	-65.7	-45.4	174.8	-67.6	168.5	0	0	0	110.5	I528 G529 G535 L536	I528-I532 HydrophobicContact CG2-CD1 3.62Å; I528-I532 HydrophobicContact CG2-CG1 4.29Å; I528-I532 WeakPolarHBondContact O-CB 3.27Å; I528-I532 VanDerWaalsContact O-CG1 3.23Å; I528-I532 WeakPolarHBondContact O-CG1 3.22Å; I528-I532 PolarHBondContact O-N 2.74Å; G529-I532 PolarHBondContact O-N 2.7Å; I532-G535 PolarHBondContact O-N 2.78Å; I532-L536 HydrophobicContact CG2-CD1 4.08Å; I532-L536 HydrophobicContact CG2-CG 4.46Å; I532-L536 WeakPolarHBondContact O-CB 3.07Å; I532-L536 WeakPolarHBondContact O-CG 3.47Å; I532-L536 PolarHBondContact O-N 3.03Å
533	A	85.7	Confident	79.3	Confident	53 Å²	53	97.4 Å²	97.4	44%	0.438	54%	0.541	S	S	.	.	H	α-helix	trans	-64.7	-42	178.3	0	0	0	0	0	112.4	G529 F530 L536 M537	G529-A533 WeakPolarHBondContact O-CB 3.2Å; G529-A533 PolarHBondContact O-N 2.82Å; F530-A533 PolarHBondContact O-N 2.81Å; A533-L536 PolarHBondContact O-N 2.92Å; A533-M537 WeakPolarHBondContact O-CB 3.37Å; A533-M537 WeakPolarHBondContact O-CG 3.41Å; A533-M537 PolarHBondContact O-N 2.87Å
534	A	86.7	Confident	80.8	Confident	53 Å²	53	93.9 Å²	93.9	44%	0.438	53%	0.529	S	S	.	.	H	α-helix	trans	-65.3	-39.7	173.9	0	0	0	0	0	111.8	F530 M537 C538	F530-A534 VanDerWaalsContact O-CB 3.24Å; F530-A534 WeakPolarHBondContact O-CB 3.35Å; F530-A534 PolarHBondContact O-N 3.42Å; A534-M537 PolarHBondContact O-N 2.79Å; A534-C538 WeakPolarHBondContact O-CB 3.42Å; A534-C538 PolarHBondContact O-N 2.77Å
535	G	88.3	Confident	81.6	Confident	31 Å²	31	93.5 Å²	93.5	32%	0.32	53%	0.527	S	S	.	.	H	α-helix	trans	-61.7	-45	174	0	0	0	0	0	112.4	V531 I532 C538 I539	V531-G535 PolarHBondContact O-N 3.5Å; I532-G535 PolarHBondContact O-N 2.78Å; G535-C538 PolarHBondContact O-N 3.43Å; G535-I539 WeakPolarHBondContact O-CB 3.16Å; G535-I539 VanDerWaalsContact O-CG1 3.22Å; G535-I539 WeakPolarHBondContact O-CG1 3.33Å; G535-I539 PolarHBondContact O-N 3.03Å
536	L	90.4	Very high	82.3	Confident	110 Å²	110	95.2 Å²	95.2	58%	0.576	52%	0.521	S	S	*	.	H	α-helix	trans	-65.9	-39.4	175.4	-71.4	173.1	0	0	0	112.3	I532 A533 I539 F540	I532-L536 HydrophobicContact CG2-CD1 4.08Å; I532-L536 HydrophobicContact CG2-CG 4.46Å; I532-L536 WeakPolarHBondContact O-CB 3.07Å; I532-L536 WeakPolarHBondContact O-CG 3.47Å; I532-L536 PolarHBondContact O-N 3.03Å; A533-L536 PolarHBondContact O-N 2.92Å; L536-I539 PolarHBondContact O-N 3.49Å; L536-F540 WeakPolarHBondContact O-CB 3.38Å; L536-F540 PolarHBondContact O-N 2.85Å
537	M	89.3	Confident	82.8	Confident	119 Å²	119	95.3 Å²	95.3	59%	0.586	52%	0.515	S	S	*	.	H	α-helix	trans	-66.6	-41.1	173.9	-81.3	-63	-64.1	0	0	112.1	A533 A534 F540 V541	A533-M537 WeakPolarHBondContact O-CB 3.37Å; A533-M537 WeakPolarHBondContact O-CG 3.41Å; A533-M537 PolarHBondContact O-N 2.87Å; A534-M537 PolarHBondContact O-N 2.79Å; M537-F540 PolarHBondContact O-N 3.37Å; M537-V541 WeakPolarHBondContact O-CB 3.49Å; M537-V541 VanDerWaalsContact O-CG2 3.28Å; M537-V541 WeakPolarHBondContact O-CG2 3.32Å; M537-V541 PolarHBondContact O-N 2.94Å
538	C	88.5	Confident	82.9	Confident	83 Å²	83	98.6 Å²	98.6	56%	0.561	52%	0.521	S	S	*	.	H	α-helix	trans	-63.3	-40.8	172.5	-84.1	0	0	0	0	111.6	A534 G535 V541 M542	A534-C538 WeakPolarHBondContact O-CB 3.42Å; A534-C538 PolarHBondContact O-N 2.77Å; G535-C538 PolarHBondContact O-N 3.43Å; C538-V541 PolarHBondContact O-N 2.92Å; C538-M542 WeakPolarHBondContact O-CB 3.39Å; C538-M542 WeakPolarHBondContact O-CG 3.34Å; C538-M542 PolarHBondContact O-N 2.82Å
539	I	87.4	Confident	82.6	Confident	95 Å²	95	98.6 Å²	98.6	49%	0.487	52%	0.521	S	S	.	.	H	α-helix	trans	-64.7	-43.2	174.2	-70	165.1	0	0	0	110.4	G535 L536 M542 I543	G535-I539 WeakPolarHBondContact O-CB 3.16Å; G535-I539 VanDerWaalsContact O-CG1 3.22Å; G535-I539 WeakPolarHBondContact O-CG1 3.33Å; G535-I539 PolarHBondContact O-N 3.03Å; L536-I539 PolarHBondContact O-N 3.49Å; I539-M542 CarbonylContact O-C 3.49Å; I539-M542 WeakPolarHBondContact O-CB 3.29Å; I539-M542 PolarHBondContact O-N 3.2Å; I539-I543 HydrophobicContact CG2-CD1 3.69Å; I539-I543 HydrophobicContact CG2-CG1 4.3Å; I539-I543 WeakPolarHBondContact O-CB 3.42Å; I539-I543 WeakPolarHBondContact O-CG1 3.46Å; I539-I543 PolarHBondContact O-N 3.3Å
540	F	89.1	Confident	81.7	Confident	116 Å²	116	101.8 Å²	101.8	51%	0.509	53%	0.526	S	S	.	.	H	α-helix	trans	-64.8	-43.6	177.7	-172	-102.9	0	0	0	111.7	L536 M537 I543 L544	L536-F540 WeakPolarHBondContact O-CB 3.38Å; L536-F540 PolarHBondContact O-N 2.85Å; M537-F540 PolarHBondContact O-N 3.37Å; F540-I543 PolarHBondContact O-N 3.14Å; F540-L544 HydrophobicContact CD1-CD1 3.72Å; F540-L544 HydrophobicContact CD1-CG 4.2Å; F540-L544 HydrophobicContact CE1-CD1 3.37Å; F540-L544 HydrophobicContact CE1-CG 3.97Å; F540-L544 HydrophobicContact CZ-CD1 4.09Å; F540-L544 HydrophobicContact CZ-CD2 4.43Å; F540-L544 HydrophobicContact CZ-CG 4.3Å; F540-L544 WeakPolarHBondContact O-CB 3.21Å; F540-L544 WeakPolarHBondContact O-CG 3.41Å; F540-L544 PolarHBondContact O-N 2.88Å
541	V	87.1	Confident	80.4	Confident	73 Å²	73	99.6 Å²	99.6	44%	0.442	52%	0.516	S	S	.	.	H	α-helix	trans	-63.3	-44.8	172.4	172.4	0	0	0	0	110.2	M537 C538 I543 L544 T545	M537-V541 WeakPolarHBondContact O-CB 3.49Å; M537-V541 VanDerWaalsContact O-CG2 3.28Å; M537-V541 WeakPolarHBondContact O-CG2 3.32Å; M537-V541 PolarHBondContact O-N 2.94Å; C538-V541 PolarHBondContact O-N 2.92Å; V541-I543 VanDerWaalsContact C-N 3.31Å; V541-I543 PolarHBondContact O-N 3.4Å; V541-L544 CarbonylContact O-C 3.49Å; V541-L544 PolarHBondContact O-N 2.9Å; V541-L544 VanDerWaalsContact O-N 3.17Å; V541-T545 VanDerWaalsContact O-CB 3.32Å; V541-T545 WeakPolarHBondContact O-CB 3.34Å; V541-T545 PolarHBondContact O-N 3.24Å; V541-T545 PolarHBondContact O-OG1 3.44Å
542	M	85.3	Confident	78.9	Confident	138 Å²	138	96.3 Å²	96.3	68%	0.68	50%	0.497	S	S	*	.	H	α-helix	trans	-58.6	-40.7	174.2	-75.7	-95.3	-72	0	0	111.8	C538 I539 Y546	C538-M542 WeakPolarHBondContact O-CB 3.39Å; C538-M542 WeakPolarHBondContact O-CG 3.34Å; C538-M542 PolarHBondContact O-N 2.82Å; I539-M542 CarbonylContact O-C 3.49Å; I539-M542 WeakPolarHBondContact O-CB 3.29Å; I539-M542 PolarHBondContact O-N 3.2Å; M542-Y546 WeakPolarHBondContact O-CA 3.46Å; M542-Y546 WeakPolarHBondContact O-CB 3.32Å; M542-Y546 PolarHBondContact O-N 2.74Å
543	I	83.8	Confident	77.6	Confident	84 Å²	84	97.1 Å²	97.1	43%	0.431	50%	0.5	S	S	.	.	H	α-helix	trans	-67.5	-42.3	175.4	-70.3	165.3	0	0	0	110.7	I539 F540 V541 Y546 K547	I539-I543 HydrophobicContact CG2-CD1 3.69Å; I539-I543 HydrophobicContact CG2-CG1 4.3Å; I539-I543 WeakPolarHBondContact O-CB 3.42Å; I539-I543 WeakPolarHBondContact O-CG1 3.46Å; I539-I543 PolarHBondContact O-N 3.3Å; F540-I543 PolarHBondContact O-N 3.14Å; V541-I543 VanDerWaalsContact C-N 3.31Å; V541-I543 PolarHBondContact O-N 3.4Å; I543-Y546 PolarHBondContact O-N 2.9Å; I543-K547 WeakPolarHBondContact O-CB 3.1Å; I543-K547 WeakPolarHBondContact O-CG 3.41Å; I543-K547 PolarHBondContact O-N 3.1Å
544	L	83.7	Confident	76.1	Confident	91 Å²	91	95.3 Å²	95.3	48%	0.476	48%	0.482	S	S	.	.	H	α-helix	trans	-66.1	-44	176.3	-74.8	179.6	0	0	0	111.5	F540 V541 K547 Y548	F540-L544 HydrophobicContact CD1-CD1 3.72Å; F540-L544 HydrophobicContact CD1-CG 4.2Å; F540-L544 HydrophobicContact CE1-CD1 3.37Å; F540-L544 HydrophobicContact CE1-CG 3.97Å; F540-L544 HydrophobicContact CZ-CD1 4.09Å; F540-L544 HydrophobicContact CZ-CD2 4.43Å; F540-L544 HydrophobicContact CZ-CG 4.3Å; F540-L544 WeakPolarHBondContact O-CB 3.21Å; F540-L544 WeakPolarHBondContact O-CG 3.41Å; F540-L544 PolarHBondContact O-N 2.88Å; V541-L544 CarbonylContact O-C 3.49Å; V541-L544 PolarHBondContact O-N 2.9Å; V541-L544 VanDerWaalsContact O-N 3.17Å; L544-K547 CarbonylContact O-C 3.6Å; L544-K547 PolarHBondContact O-N 2.86Å; L544-Y548 VanDerWaalsContact O-CB 3.22Å; L544-Y548 WeakPolarHBondContact O-CB 3.39Å; L544-Y548 PolarHBondContact O-N 2.55Å
545	T	78.5	Confident	74.9	Confident	67 Å²	67	97.8 Å²	97.8	41%	0.411	48%	0.484	S	S	.	.	H	α-helix	trans	-65.7	-41.6	175.6	-51.1	0	0	0	0	110.2	V541 Y548 L549	V541-T545 VanDerWaalsContact O-CB 3.32Å; V541-T545 WeakPolarHBondContact O-CB 3.34Å; V541-T545 PolarHBondContact O-N 3.24Å; V541-T545 PolarHBondContact O-OG1 3.44Å; T545-Y548 PolarHBondContact O-N 3.16Å; T545-L549 HydrophobicContact CG2-CD1 3.89Å; T545-L549 HydrophobicContact CG2-CG 4.3Å; T545-L549 VanDerWaalsContact O-CB 3.26Å; T545-L549 WeakPolarHBondContact O-CB 3.41Å; T545-L549 WeakPolarHBondContact O-CG 3.44Å; T545-L549 PolarHBondContact O-N 2.91Å
546	Y	76.7	Confident	73.6	Confident	141 Å²	141	96.9 Å²	96.9	55%	0.553	47%	0.473	S	S	*	.	H	α-helix	trans	-60.6	-46.5	172.5	178.5	-98.7	0	0	0	111.2	M542 I543 Y548 L549 Q550	M542-Y546 WeakPolarHBondContact O-CA 3.46Å; M542-Y546 WeakPolarHBondContact O-CB 3.32Å; M542-Y546 PolarHBondContact O-N 2.74Å; I543-Y546 PolarHBondContact O-N 2.9Å; Y546-Y548 VanDerWaalsContact C-N 3.34Å; Y546-Y548 PolarHBondContact O-N 3.37Å; Y546-L549 PolarHBondContact O-N 3.37Å; Y546-Q550 HydrophobicContact CE1-CG 4.27Å; Y546-Q550 WeakPolarHBondContact O-CB 3.46Å; Y546-Q550 WeakPolarHBondContact O-CG 3.38Å; Y546-Q550 PolarHBondContact O-N 3.22Å; Y546-Q550 PolarHBondContact OH-NE2 3.45Å
547	K	74.5	Confident	72.6	Confident	146 Å²	146	93 Å²	93	64%	0.635	45%	0.451	S	S	*	.	H	α-helix	trans	-66.2	-33.7	175.1	-80.5	-161.6	167.9	-174.3	0	113.3	I543 L544 K551	I543-K547 WeakPolarHBondContact O-CB 3.1Å; I543-K547 WeakPolarHBondContact O-CG 3.41Å; I543-K547 PolarHBondContact O-N 3.1Å; L544-K547 CarbonylContact O-C 3.6Å; L544-K547 PolarHBondContact O-N 2.86Å; K547-K551 PolarHBondContact O-N 3.22Å
548	Y	68.5	Low	71.6	Confident	177 Å²	177	87.8 Å²	87.8	69%	0.694	43%	0.425	S	S	*	.	H	α-helix	trans	-71	-44.6	176.3	-178.2	-96	0	0	0	111	L544 T545 Y546 Q550 K551	L544-Y548 VanDerWaalsContact O-CB 3.22Å; L544-Y548 WeakPolarHBondContact O-CB 3.39Å; L544-Y548 PolarHBondContact O-N 2.55Å; T545-Y548 PolarHBondContact O-N 3.16Å; Y546-Y548 VanDerWaalsContact C-N 3.34Å; Y546-Y548 PolarHBondContact O-N 3.37Å; Y548-Q550 VanDerWaalsContact C-N 3.32Å; Y548-Q550 PolarHBondContact O-N 3.18Å; Y548-K551 VanDerWaalsContact O-CB 3.29Å; Y548-K551 WeakPolarHBondContact O-CB 3.49Å; Y548-K551 PolarHBondContact O-N 3.03Å
549	L	66	Low	70.9	Confident	93 Å²	93	86.3 Å²	86.3	49%	0.487	41%	0.409	S	S	.	.	H	α-helix	trans	-66.3	-32.8	175.8	-71.6	169	0	0	0	112	T545 Y546 K551 N829	T545-L549 HydrophobicContact CG2-CD1 3.89Å; T545-L549 HydrophobicContact CG2-CG 4.3Å; T545-L549 VanDerWaalsContact O-CB 3.26Å; T545-L549 WeakPolarHBondContact O-CB 3.41Å; T545-L549 WeakPolarHBondContact O-CG 3.44Å; T545-L549 PolarHBondContact O-N 2.91Å; Y546-L549 PolarHBondContact O-N 3.37Å; L549-K551 PolarHBondContact O-N 2.93Å; L549-N829 PolarHBondContact O-OD1 3.37Å; L549-N829 VanDerWaalsContact O-OD1 3.12Å
550	Q	58.4	Low	70.1	Confident	108 Å²	108	81.8 Å²	81.8	51%	0.505	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-5.2	174.5	-80.2	-159.7	-24.6	0	0	114.7	Y546 Y548 P552	Y546-Q550 HydrophobicContact CE1-CG 4.27Å; Y546-Q550 WeakPolarHBondContact O-CB 3.46Å; Y546-Q550 WeakPolarHBondContact O-CG 3.38Å; Y546-Q550 PolarHBondContact O-N 3.22Å; Y546-Q550 PolarHBondContact OH-NE2 3.45Å; Y548-Q550 VanDerWaalsContact C-N 3.32Å; Y548-Q550 PolarHBondContact O-N 3.18Å; Q550-P552 WeakPolarHBondContact O-CD 3.33Å; Q550-P552 VanDerWaalsContact O-N 3.15Å
551	K	53.3	Low	69.3	Low	118 Å²	118	76.4 Å²	76.4	51%	0.513	36%	0.362	S	S	.	.	S	Bend	trans	-70.9	111.6	-177.3	-143.7	-175.8	-175	-167.5	0	108.4	K547 Y548 L549 M553	K547-K551 PolarHBondContact O-N 3.22Å; Y548-K551 VanDerWaalsContact O-CB 3.29Å; Y548-K551 WeakPolarHBondContact O-CB 3.49Å; Y548-K551 PolarHBondContact O-N 3.03Å; L549-K551 PolarHBondContact O-N 2.93Å; K551-M553 PolarHBondContact O-N 3.03Å
552	P	49.7	Very low	68.5	Low	29 Å²	29	78.8 Å²	78.8	19%	0.188	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-67.3	131.2	-173.2	26.9	-33.2	0	0	0	110.1	Q550	Q550-P552 WeakPolarHBondContact O-CD 3.33Å; Q550-P552 VanDerWaalsContact O-N 3.15Å
553	M	58.1	Low	67.2	Low	115 Å²	115	77.4 Å²	77.4	57%	0.567	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-102.5	139.6	178.4	-61.4	178.7	67.9	0	0	109.4	K551 T633	K551-M553 PolarHBondContact O-N 3.03Å; M553-T633 HydrophobicContact CE-CG2 3.59Å
554	Y	55.3	Low	66.1	Low	14 Å²	14	77.3 Å²	77.3	6%	0.055	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-80.7	124.5	173.9	179.5	-102.1	0	0	0	109.9	F601 A637 G813 L814	Y554-F601 HydrophobicContact CD2-CD2 4.1Å; Y554-F601 HydrophobicContact CD2-CE2 4.28Å; Y554-F601 HydrophobicContact CG-CD2 4.36Å; Y554-A637 HydrophobicContact CD1-CB 3.49Å; Y554-A637 VanDerWaalsContact CD1-CB 3.49Å; Y554-A637 HydrophobicContact CE1-CB 3.84Å; Y554-G813 VanDerWaalsContact CE2-C 3.46Å; Y554-L814 HydrophobicContact CD1-CD2 3.27Å; Y554-L814 HydrophobicContact CD1-CG 3.89Å; Y554-L814 HydrophobicContact CD2-CD2 4.06Å; Y554-L814 HydrophobicContact CD2-CG 4.46Å; Y554-L814 HydrophobicContact CE1-CD1 4.02Å; Y554-L814 HydrophobicContact CE1-CD2 3.37Å; Y554-L814 HydrophobicContact CE1-CG 3.4Å; Y554-L814 HydrophobicContact CE2-CD2 4.17Å; Y554-L814 HydrophobicContact CE2-CG 4.07Å; Y554-L814 HydrophobicContact CG-CD2 3.64Å; Y554-L814 HydrophobicContact CG-CG 4.39Å
555	E	61.3	Low	64.7	Low	106 Å²	106	77.4 Å²	77.4	50%	0.495	36%	0.361	S	S	.	.			trans	-121.9	138	174.2	-167.4	-173	158.9	0	0	108.4	Q557	E555-Q557 PolarHBondContact O-N 3.39Å; E555-Q557 PolarHBondContact O-NE2 2.94Å; E555-Q557 VanDerWaalsContact O-NE2 3.14Å
556	V	61	Low	63.6	Low	12 Å²	12	77 Å²	77	7%	0.073	37%	0.37	C	S	.	.			trans	-62	130	177.2	178.6	0	0	0	0	109.3	W558 A637 E641	V556-W558 HydrophobicContact CG1-CB 4.23Å; V556-A637 HydrophobicContact CG2-CB 4.02Å; V556-A637 WeakPolarHBondContact CG2-O 3.42Å; V556-E641 HydrophobicContact CG2-CB 4.35Å
557	Q	68.3	Low	62.3	Low	27 Å²	27	75.7 Å²	75.7	13%	0.126	37%	0.373	C	S	.	.	S	Bend	trans	-76.9	-29.8	-178.8	-60.6	-60.2	-53	0	0	111.4	E555 K559 H791 R792 D793 D811	E555-Q557 PolarHBondContact O-N 3.39Å; E555-Q557 PolarHBondContact O-NE2 2.94Å; E555-Q557 VanDerWaalsContact O-NE2 3.14Å; Q557-K559 PolarHBondContact O-N 2.86Å; Q557-H791 CarbonylContact C-O 3.55Å; Q557-H791 WeakPolarHBondContact CB-O 3.2Å; Q557-R792 HydrophobicContact CB-CB 4.34Å; Q557-R792 WeakPolarHBondContact O-CB 3.39Å; Q557-R792 WeakPolarHBondContact O-CD 3.14Å; Q557-R792 WeakPolarHBondContact O-CG 3.39Å; Q557-R792 PolarHBondContact O-NH1 2.86Å; Q557-D793 HydrophobicContact CB-CB 4.23Å; Q557-D793 HydrophobicContact CG-CB 4.01Å; Q557-D811 VanDerWaalsContact CB-OD2 3.3Å; Q557-D811 WeakPolarHBondContact CB-OD2 3.3Å; Q557-D811 PolarHBondContact N-OD2 3.32Å; Q557-D811 VanDerWaalsContact N-OD2 3.15Å
558	W	68.6	Low	61.7	Low	11 Å²	11	74.5 Å²	74.5	4%	0.042	37%	0.373	C	S	.	.			trans	-76	123.3	-176.8	-64.7	18.4	0	0	0	111.4	V556 V644 L645 L648 L784 I790 H791 I809	V556-W558 HydrophobicContact CG1-CB 4.23Å; W558-V644 HydrophobicContact CB-CG1 4.12Å; W558-V644 HydrophobicContact CE3-CG1 3.84Å; W558-L645 HydrophobicContact CH2-CD2 4.25Å; W558-L645 HydrophobicContact CZ3-CD2 3.84Å; W558-L648 HydrophobicContact CE3-CD1 3.5Å; W558-L648 VanDerWaalsContact CE3-CD1 3.5Å; W558-L648 HydrophobicContact CZ3-CD1 3.28Å; W558-L784 HydrophobicContact CH2-CD1 4.47Å; W558-L784 HydrophobicContact CH2-CD2 4.34Å; W558-L784 HydrophobicContact CZ3-CD2 4.06Å; W558-I790 WeakPolarHBondContact CA-O 3.4Å; W558-H791 AromaticContact CE2-CD2 3.77Å; W558-H791 AromaticContact CE2-NE2 3.83Å; W558-H791 AromaticContact CZ2-CD2 3.84Å; W558-H791 AromaticContact CZ2-NE2 3.8Å; W558-H791 AromaticContact NE1-CD2 3.36Å; W558-H791 PolarHBondContact NE1-CD2 3.47Å; W558-H791 AromaticContact NE1-CE1 3.42Å; W558-H791 PolarHBondContact NE1-CE1 2.89Å; W558-H791 AromaticContact NE1-CG 3.51Å; W558-H791 AromaticContact NE1-ND1 3.52Å; W558-H791 AromaticContact NE1-NE2 3.3Å; W558-H791 PolarHBondContact NE1-NE2 3.35Å; W558-I809 HydrophobicContact CZ2-CG2 4.4Å
559	K	75	Confident	61.6	Low	51 Å²	51	67.7 Å²	67.7	22%	0.222	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.5	175.2	-71.2	-170.5	169.6	-178.8	0	110.5	Q557 Y571 C789 I790 R792	Q557-K559 PolarHBondContact O-N 2.86Å; K559-Y571 HydrophobicContact CB-CD1 3.74Å; K559-Y571 HydrophobicContact CB-CE1 4.37Å; K559-Y571 HydrophobicContact CB-CG 4.41Å; K559-Y571 HydrophobicContact CD-CD1 3.9Å; K559-Y571 HydrophobicContact CD-CD2 4.5Å; K559-Y571 HydrophobicContact CD-CE1 4.29Å; K559-Y571 HydrophobicContact CD-CG 4.01Å; K559-Y571 HydrophobicContact CG-CD1 4.43Å; K559-C789 WeakPolarHBondContact O-CA 3.43Å; K559-I790 PolarHBondContact N-O 2.99Å; K559-I790 PolarHBondContact O-N 2.82Å; K559-R792 VanDerWaalsContact CE-NH1 3.33Å
560	V	71	Confident	61.9	Low	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	130.2	175.7	-176	0	0	0	0	108.7	Y571 I572 L577 V644 Y647 N788	V560-Y571 CarbonylContact O-C 3.29Å; V560-Y571 WeakPolarHBondContact O-CA 3.31Å; V560-I572 HydrophobicContact CB-CB 4.38Å; V560-I572 HydrophobicContact CB-CD1 4.45Å; V560-I572 HydrophobicContact CG1-CD1 3.9Å; V560-I572 HydrophobicContact CG1-CG1 4.5Å; V560-I572 PolarHBondContact O-N 2.98Å; V560-L577 HydrophobicContact CG2-CD1 4.35Å; V560-V644 HydrophobicContact CG2-CG1 4.48Å; V560-V644 HydrophobicContact CG2-CG2 4.45Å; V560-Y647 HydrophobicContact CG1-CD1 4.25Å; V560-Y647 HydrophobicContact CG1-CE1 3.6Å; V560-Y647 HydrophobicContact CG2-CD1 4.16Å; V560-Y647 HydrophobicContact CG2-CE1 4.32Å; V560-N788 CarbonylContact C-O 3.56Å; V560-N788 WeakPolarHBondContact CA-O 3.49Å
561	V	71.8	Confident	62.6	Low	3 Å²	3	64.5 Å²	64.5	2%	0.018	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	126.3	180	-177.5	0	0	0	0	109.2	I564 Y569 V570 Y571 N788 I790 F849	V561-I564 HydrophobicContact CG1-CG1 3.76Å; V561-Y569 HydrophobicContact CB-CD1 4.47Å; V561-Y569 HydrophobicContact CG1-CD1 3.78Å; V561-Y569 HydrophobicContact CG2-CD1 3.83Å; V561-Y569 HydrophobicContact CG2-CE1 4.48Å; V561-V570 CarbonylContact C-O 3.5Å; V561-V570 WeakPolarHBondContact CA-O 3.3Å; V561-Y571 HydrophobicContact CG2-CD1 4.35Å; V561-N788 HydrophobicContact CB-CB 4.11Å; V561-N788 PolarHBondContact N-O 3.48Å; V561-N788 WeakPolarHBondContact O-CB 3.36Å; V561-I790 HydrophobicContact CG2-CD1 3.48Å; V561-I790 VanDerWaalsContact CG2-CD1 3.48Å; V561-I790 HydrophobicContact CG2-CG1 4.07Å; V561-F849 HydrophobicContact CB-CZ 4.41Å; V561-F849 HydrophobicContact CG2-CE1 4.49Å; V561-F849 HydrophobicContact CG2-CZ 3.94Å
562	E	70.3	Confident	63.7	Low	124 Å²	124	60.5 Å²	60.5	58%	0.579	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	-51.6	176.5	-164.3	172.5	-172.1	0	0	111.1	V570 I572	E562-V570 HydrophobicContact CB-CG1 4.44Å; E562-V570 PolarHBondContact N-O 3.12Å; E562-I572 HydrophobicContact CB-CD1 4.19Å; E562-I572 HydrophobicContact CB-CG1 3.6Å; E562-I572 HydrophobicContact CG-CD1 4.35Å; E562-I572 HydrophobicContact CG-CG1 4.07Å
563	E	57.7	Low	64.7	Low	109 Å²	109	62.6 Å²	62.6	51%	0.509	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	141.1	-175.2	-161.5	177.6	-146	0	0	110.3	N565 V570	E563-N565 PolarHBondContact OE2-ND2 3.18Å; E563-V570 HydrophobicContact CB-CB 4.47Å; E563-V570 PolarHBondContact O-N 2.92Å
564	I	61.2	Low	65.5	Low	81 Å²	81	58 Å²	58	42%	0.415	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	100.7	176.4	-56.2	170	0	0	0	107.1	V561 G566 Y569 F849	V561-I564 HydrophobicContact CG1-CG1 3.76Å; I564-G566 WeakPolarHBondContact CG2-O 3.23Å; I564-Y569 HydrophobicContact CD1-CE1 4.36Å; I564-Y569 HydrophobicContact CG1-CD1 4.29Å; I564-Y569 HydrophobicContact CG1-CE1 4.14Å; I564-Y569 HydrophobicContact CG2-CE1 4.47Å; I564-F849 HydrophobicContact CD1-CE2 3.96Å
565	N	52.8	Low	66.5	Low	93 Å²	93	60.4 Å²	60.4	50%	0.497	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	80.6	176.5	-76.5	-32.5	0	0	0	109.4	E563 N567 N568	E563-N565 PolarHBondContact OE2-ND2 3.18Å; N565-N567 PolarHBondContact O-N 3.38Å; N565-N568 PolarHBondContact N-O 3.45Å; N565-N568 PolarHBondContact O-N 3.22Å; N565-N568 VanDerWaalsContact O-N 3.11Å
566	G	55.2	Low	67.4	Low	58 Å²	58	62.6 Å²	62.6	60%	0.598	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	-115	-173.5	0	0	0	0	0	110.9	I564	I564-G566 WeakPolarHBondContact CG2-O 3.23Å
567	N	50.9	Low	68.5	Low	114 Å²	114	62.6 Å²	62.6	61%	0.61	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-1.5	177.3	-64.6	-6.7	0	0	0	113.3	N565	N565-N567 PolarHBondContact O-N 3.38Å
568	N	60.7	Low	69.3	Low	121 Å²	121	66.5 Å²	66.5	65%	0.647	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	117.5	178.9	-76.8	-11.2	0	0	0	110.6	N565	N565-N568 PolarHBondContact N-O 3.45Å; N565-N568 PolarHBondContact O-N 3.22Å; N565-N568 VanDerWaalsContact O-N 3.11Å
569	Y	67.5	Low	70.1	Confident	34 Å²	34	67.6 Å²	67.6	13%	0.133	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	122.9	176.1	-72	-97.6	0	0	0	109.7	V561 I564 I790 T848 F849 E850	V561-Y569 HydrophobicContact CB-CD1 4.47Å; V561-Y569 HydrophobicContact CG1-CD1 3.78Å; V561-Y569 HydrophobicContact CG2-CD1 3.83Å; V561-Y569 HydrophobicContact CG2-CE1 4.48Å; I564-Y569 HydrophobicContact CD1-CE1 4.36Å; I564-Y569 HydrophobicContact CG1-CD1 4.29Å; I564-Y569 HydrophobicContact CG1-CE1 4.14Å; I564-Y569 HydrophobicContact CG2-CE1 4.47Å; Y569-I790 HydrophobicContact CD1-CD1 4.25Å; Y569-T848 HydrophobicContact CD2-CG2 3.54Å; Y569-T848 HydrophobicContact CE2-CG2 3.21Å; Y569-T848 HydrophobicContact CG-CG2 4.42Å; Y569-F849 AromaticContact CE1-CD2 3.88Å; Y569-F849 HydrophobicContact CE1-CD2 3.88Å; Y569-F849 AromaticContact CE1-CE2 3.72Å; Y569-F849 HydrophobicContact CE1-CE2 3.72Å; Y569-E850 PolarHBondContact OH-OE2 3.12Å
570	V	71.7	Confident	70.7	Confident	61 Å²	61	68.2 Å²	68.2	37%	0.37	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	121	169.6	-177.5	0	0	0	0	107.8	V561 E562 E563	V561-V570 CarbonylContact C-O 3.5Å; V561-V570 WeakPolarHBondContact CA-O 3.3Å; E562-V570 HydrophobicContact CB-CG1 4.44Å; E562-V570 PolarHBondContact N-O 3.12Å; E563-V570 HydrophobicContact CB-CB 4.47Å; E563-V570 PolarHBondContact O-N 2.92Å
571	Y	73.8	Confident	71.5	Confident	73 Å²	73	74.5 Å²	74.5	29%	0.286	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	134.8	-178.4	-48.8	-83.6	0	0	0	110.5	K559 V560 V561 D573 I790 Y847	K559-Y571 HydrophobicContact CB-CD1 3.74Å; K559-Y571 HydrophobicContact CB-CE1 4.37Å; K559-Y571 HydrophobicContact CB-CG 4.41Å; K559-Y571 HydrophobicContact CD-CD1 3.9Å; K559-Y571 HydrophobicContact CD-CD2 4.5Å; K559-Y571 HydrophobicContact CD-CE1 4.29Å; K559-Y571 HydrophobicContact CD-CG 4.01Å; K559-Y571 HydrophobicContact CG-CD1 4.43Å; V560-Y571 CarbonylContact O-C 3.29Å; V560-Y571 WeakPolarHBondContact O-CA 3.31Å; V561-Y571 HydrophobicContact CG2-CD1 4.35Å; Y571-D573 PolarHBondContact O-N 3.08Å; Y571-I790 HydrophobicContact CE1-CD1 3.8Å; Y571-Y847 PolarHBondContact OH-O 3.42Å
572	I	75.3	Confident	72.4	Confident	35 Å²	35	81.1 Å²	81.1	18%	0.179	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	126.2	166.6	-54.2	179	0	0	0	107.4	V560 E562 P574 L577	V560-I572 HydrophobicContact CB-CB 4.38Å; V560-I572 HydrophobicContact CB-CD1 4.45Å; V560-I572 HydrophobicContact CG1-CD1 3.9Å; V560-I572 HydrophobicContact CG1-CG1 4.5Å; V560-I572 PolarHBondContact O-N 2.98Å; E562-I572 HydrophobicContact CB-CD1 4.19Å; E562-I572 HydrophobicContact CB-CG1 3.6Å; E562-I572 HydrophobicContact CG-CD1 4.35Å; E562-I572 HydrophobicContact CG-CG1 4.07Å; I572-P574 WeakPolarHBondContact O-CD 3.28Å; I572-L577 HydrophobicContact CG2-CD2 4.17Å; I572-L577 HydrophobicContact CG2-CG 4.32Å
573	D	72.3	Confident	73.5	Confident	73 Å²	73	76.9 Å²	76.9	39%	0.39	40%	0.403	S	S	.	.			trans	-63.5	115.6	167.8	-179.7	-11.4	0	0	0	108.7	Y571 T575 Q576	Y571-D573 PolarHBondContact O-N 3.08Å; D573-T575 PolarHBondContact O-N 3.08Å; D573-T575 WeakPolarHBondContact OD1-CB 3.36Å; D573-T575 WeakPolarHBondContact OD1-CG2 3.37Å; D573-T575 PolarHBondContact OD1-N 2.69Å; D573-T575 PolarHBondContact OD1-OG1 3.41Å; D573-T575 PolarHBondContact OD2-OG1 3.49Å; D573-Q576 HydrophobicContact CB-CG 4.08Å; D573-Q576 WeakPolarHBondContact O-CB 3.43Å; D573-Q576 PolarHBondContact O-N 3.11Å
574	P	74.7	Confident	75.2	Confident	19 Å²	19	74 Å²	74	12%	0.123	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-56.2	-23.4	-178.4	-28.5	38.3	0	0	0	114	I572 Q576 L577 K643 V644	I572-P574 WeakPolarHBondContact O-CD 3.28Å; P574-Q576 PolarHBondContact O-N 3.33Å; P574-L577 PolarHBondContact O-N 2.89Å; P574-K643 WeakPolarHBondContact O-CD 3.43Å; P574-V644 HydrophobicContact CB-CG2 3.95Å; P574-V644 HydrophobicContact CG-CG2 4.29Å
575	T	74.8	Confident	76.7	Confident	64 Å²	64	70.8 Å²	70.8	39%	0.393	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-64.8	-25.8	175.8	67.4	0	0	0	0	112.2	D573 K643	D573-T575 PolarHBondContact O-N 3.08Å; D573-T575 WeakPolarHBondContact OD1-CB 3.36Å; D573-T575 WeakPolarHBondContact OD1-CG2 3.37Å; D573-T575 PolarHBondContact OD1-N 2.69Å; D573-T575 PolarHBondContact OD1-OG1 3.41Å; D573-T575 PolarHBondContact OD2-OG1 3.49Å; T575-K643 PolarHBondContact O-NZ 3.47Å
576	Q	81.1	Confident	78.5	Confident	151 Å²	151	69.2 Å²	69.2	71%	0.706	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-83.5	-14.4	178.8	-58.4	-172.6	21	0	0	113.6	D573 P574	D573-Q576 HydrophobicContact CB-CG 4.08Å; D573-Q576 WeakPolarHBondContact O-CB 3.43Å; D573-Q576 PolarHBondContact O-N 3.11Å; P574-Q576 PolarHBondContact O-N 3.33Å
577	L	83.1	Confident	80.4	Confident	13 Å²	13	69.7 Å²	69.7	7%	0.068	35%	0.351	C	S	.	.	S	Bend	trans	-64.9	138.5	175.1	-70.1	172.5	0	0	0	110.5	V560 I572 P574 K643 V644 Y647	V560-L577 HydrophobicContact CG2-CD1 4.35Å; I572-L577 HydrophobicContact CG2-CD2 4.17Å; I572-L577 HydrophobicContact CG2-CG 4.32Å; P574-L577 PolarHBondContact O-N 2.89Å; L577-K643 HydrophobicContact CB-CB 3.92Å; L577-K643 HydrophobicContact CB-CD 4.44Å; L577-K643 WeakPolarHBondContact O-CD 3.4Å; L577-K643 WeakPolarHBondContact O-CE 3.3Å; L577-K643 PolarHBondContact O-NZ 3.06Å; L577-V644 HydrophobicContact CD1-CG2 3.94Å; L577-Y647 HydrophobicContact CD2-CD2 4.2Å; L577-Y647 HydrophobicContact CD2-CG 4.41Å
578	P	85.1	Confident	82.3	Confident	108 Å²	108	71.1 Å²	71.1	70%	0.701	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-72.5	143.3	177.4	29.1	-33.5	0	0	0	111
579	Y	86.3	Confident	83.8	Confident	35 Å²	35	71 Å²	71	14%	0.137	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-88.9	125.5	167.3	175.7	-114.7	0	0	0	109.5	W583 E584 M639 L642 T662	Y579-W583 HydrophobicContact CE2-CB 4.09Å; Y579-E584 PolarHBondContact OH-N 3.41Å; Y579-E584 PolarHBondContact OH-OE2 3.49Å; Y579-E584 VanDerWaalsContact OH-OE2 3.11Å; Y579-M639 HydrophobicContact CD1-CE 4.25Å; Y579-M639 HydrophobicContact CD2-CE 4.15Å; Y579-M639 HydrophobicContact CG-CE 3.8Å; Y579-L642 HydrophobicContact CD2-CD2 3.92Å; Y579-L642 HydrophobicContact CD2-CG 4.04Å; Y579-L642 HydrophobicContact CE2-CD1 4.14Å; Y579-L642 HydrophobicContact CE2-CD2 3.58Å; Y579-L642 HydrophobicContact CE2-CG 3.87Å; Y579-T662 HydrophobicContact CE1-CG2 3.91Å; Y579-T662 HydrophobicContact CE2-CG2 4.32Å
580	D	87.3	Confident	84.9	Confident	64 Å²	64	70.1 Å²	70.1	34%	0.342	35%	0.347	S	S	.	.			trans	-88.8	115.5	177.2	-170.9	-19.8	0	0	0	110.3	K582 W583	D580-K582 HydrophobicContact CB-CG 4.26Å; D580-K582 VanDerWaalsContact CG-CG 3.48Å; D580-K582 PolarHBondContact O-N 3.21Å; D580-K582 WeakPolarHBondContact OD1-CB 3.43Å; D580-K582 WeakPolarHBondContact OD1-CG 3.41Å; D580-K582 PolarHBondContact OD1-N 3.41Å; D580-K582 WeakPolarHBondContact OD2-CD 3.48Å; D580-K582 WeakPolarHBondContact OD2-CE 3.47Å; D580-K582 IonicContact OD2-NZ 2.87Å; D580-K582 PolarHBondContact OD2-NZ 3.2Å; D580-W583 PolarHBondContact O-N 2.97Å; D580-W583 VanDerWaalsContact O-N 3.1Å
581	H	88.9	Confident	85.9	Confident	131 Å²	131	70 Å²	70	61%	0.606	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-60	-13.9	-179.7	-76.8	-68.5	0	0	0	114.1	W583 E584	H581-W583 PolarHBondContact O-N 3.01Å; H581-E584 WeakPolarHBondContact O-CB 3.02Å; H581-E584 PolarHBondContact O-N 3.48Å
582	K	90.2	Very high	86.7	Confident	142 Å²	142	71.4 Å²	71.4	62%	0.617	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-59.6	-24.1	172.5	79.5	-173.8	174.1	-143.9	0	113.1	D580 E584	D580-K582 HydrophobicContact CB-CG 4.26Å; D580-K582 VanDerWaalsContact CG-CG 3.48Å; D580-K582 PolarHBondContact O-N 3.21Å; D580-K582 WeakPolarHBondContact OD1-CB 3.43Å; D580-K582 WeakPolarHBondContact OD1-CG 3.41Å; D580-K582 PolarHBondContact OD1-N 3.41Å; D580-K582 WeakPolarHBondContact OD2-CD 3.48Å; D580-K582 WeakPolarHBondContact OD2-CE 3.47Å; D580-K582 IonicContact OD2-NZ 2.87Å; D580-K582 PolarHBondContact OD2-NZ 3.2Å; K582-E584 VanDerWaalsContact C-N 3.32Å
583	W	92.1	Very high	87.3	Confident	36 Å²	36	72.2 Å²	72.2	14%	0.136	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-83	-8.6	178.1	-63.8	115.8	0	0	0	112.9	Y579 D580 H581 F585 S646 L657 G659 A660	Y579-W583 HydrophobicContact CE2-CB 4.09Å; D580-W583 PolarHBondContact O-N 2.97Å; D580-W583 VanDerWaalsContact O-N 3.1Å; H581-W583 PolarHBondContact O-N 3.01Å; W583-F585 PolarHBondContact O-N 3.3Å; W583-S646 VanDerWaalsContact CD1-OG 3.25Å; W583-S646 PolarHBondContact NE1-OG 2.84Å; W583-L657 HydrophobicContact CB-CD2 4.38Å; W583-L657 HydrophobicContact CD2-CD2 3.6Å; W583-L657 HydrophobicContact CD2-CG 4.09Å; W583-L657 HydrophobicContact CE3-CD2 4Å; W583-L657 HydrophobicContact CE3-CG 3.94Å; W583-L657 HydrophobicContact CG-CD2 3.78Å; W583-L657 HydrophobicContact CH2-CB 4.47Å; W583-L657 WeakPolarHBondContact CH2-O 3.14Å; W583-L657 HydrophobicContact CZ2-CD2 4.28Å; W583-L657 HydrophobicContact CZ3-CB 4.42Å; W583-L657 HydrophobicContact CZ3-CD2 4.48Å; W583-L657 HydrophobicContact CZ3-CG 4.2Å; W583-L657 WeakPolarHBondContact CZ3-O 3.25Å; W583-G659 CarbonylContact O-C 3.59Å; W583-G659 WeakPolarHBondContact O-CA 3.15Å; W583-A660 PolarHBondContact O-N 3.1Å
584	E	94.8	Very high	88.1	Confident	48 Å²	48	72.3 Å²	72.3	22%	0.224	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-68.6	120.9	-177.9	-166.7	70.4	-153.3	0	0	110.3	Y579 H581 K582 A660 T662 I663	Y579-E584 PolarHBondContact OH-N 3.41Å; Y579-E584 PolarHBondContact OH-OE2 3.49Å; Y579-E584 VanDerWaalsContact OH-OE2 3.11Å; H581-E584 WeakPolarHBondContact O-CB 3.02Å; H581-E584 PolarHBondContact O-N 3.48Å; K582-E584 VanDerWaalsContact C-N 3.32Å; E584-A660 CarbonylContact C-O 3.58Å; E584-A660 VanDerWaalsContact CA-O 3.32Å; E584-A660 WeakPolarHBondContact CA-O 3.39Å; E584-T662 PolarHBondContact OE1-N 3.16Å; E584-T662 WeakPolarHBondContact OE2-CB 3.41Å; E584-T662 PolarHBondContact OE2-N 3.31Å; E584-T662 PolarHBondContact OE2-OG1 2.93Å; E584-I663 HydrophobicContact CG-CD1 4.1Å; E584-I663 HydrophobicContact CG-CG1 4.49Å; E584-I663 PolarHBondContact OE1-N 2.98Å
585	F	92.4	Very high	88.7	Confident	14 Å²	14	75 Å²	75	6%	0.061	39%	0.386	C	S	.	.			trans	-111.5	135.2	-178.7	-174.9	-104.5	0	0	0	111	W583 R587 R589 L590 A609 Y610 L612 A660 C661 I670	W583-F585 PolarHBondContact O-N 3.3Å; F585-R587 PolarHBondContact O-N 2.68Å; F585-R587 VanDerWaalsContact O-N 3.11Å; F585-R589 HydrophobicContact CE1-CB 3.74Å; F585-R589 WeakPolarHBondContact CE1-O 3.47Å; F585-R589 HydrophobicContact CE2-CB 4.47Å; F585-R589 HydrophobicContact CZ-CB 3.55Å; F585-L590 HydrophobicContact CE1-CB 4.17Å; F585-L590 HydrophobicContact CE1-CD1 4.37Å; F585-A609 HydrophobicContact CE1-CB 4.2Å; F585-A609 HydrophobicContact CZ-CB 4.01Å; F585-Y610 WeakPolarHBondContact CZ-O 3.16Å; F585-L612 HydrophobicContact CD2-CD1 3.63Å; F585-L612 HydrophobicContact CE2-CB 4.21Å; F585-L612 HydrophobicContact CE2-CD1 3.77Å; F585-L612 HydrophobicContact CG-CD1 4.36Å; F585-A660 PolarHBondContact N-O 3.43Å; F585-C661 PolarHBondContact O-SG 2.77Å; F585-I670 HydrophobicContact CB-CD1 3.83Å; F585-I670 HydrophobicContact CD1-CD1 3.59Å; F585-I670 HydrophobicContact CE1-CD1 4.44Å; F585-I670 HydrophobicContact CG-CD1 3.93Å
586	P	91.5	Very high	89.2	Confident	60 Å²	60	72.3 Å²	72.3	39%	0.39	37%	0.37	S	S	.	.			trans	-61.1	115.6	178.3	-23	33.7	0	0	0	112.3	N588 R589	P586-N588 VanDerWaalsContact CB-OD1 3.25Å; P586-N588 WeakPolarHBondContact CB-OD1 3.43Å; P586-N588 PolarHBondContact O-N 3.21Å; P586-N588 VanDerWaalsContact O-N 3.1Å; P586-R589 HydrophobicContact CB-CG 4.21Å; P586-R589 WeakPolarHBondContact O-CB 3.29Å; P586-R589 PolarHBondContact O-N 3.03Å
587	R	93.2	Very high	89.2	Confident	67 Å²	67	65.5 Å²	65.5	25%	0.253	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-55.1	-32.2	-177.7	-170.7	-176.6	-59.2	-86.9	-5.2	113.8	F585 R589 L590 C661 I663 P666 L668	F585-R587 PolarHBondContact O-N 2.68Å; F585-R587 VanDerWaalsContact O-N 3.11Å; R587-R589 PolarHBondContact O-N 3.45Å; R587-L590 PolarHBondContact O-N 3.27Å; R587-C661 HydrophobicContact CB-CB 4.35Å; R587-C661 PolarHBondContact NH2-O 3.03Å; R587-I663 PolarHBondContact NH2-O 2.88Å; R587-P666 PolarHBondContact NH1-O 2.88Å; R587-P666 PolarHBondContact NH2-O 3.09Å; R587-L668 HydrophobicContact CG-CD1 4.38Å; R587-L668 VanDerWaalsContact NH1-CG 3.33Å
588	N	91.3	Very high	89.1	Confident	144 Å²	144	67.1 Å²	67.1	77%	0.77	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-71.2	-9.3	177.9	66	-30.1	0	0	0	114	P586	P586-N588 VanDerWaalsContact CB-OD1 3.25Å; P586-N588 WeakPolarHBondContact CB-OD1 3.43Å; P586-N588 PolarHBondContact O-N 3.21Å; P586-N588 VanDerWaalsContact O-N 3.1Å
589	R	91.8	Very high	88.5	Confident	119 Å²	119	62.1 Å²	62.1	45%	0.449	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-100.7	14.6	174.7	-64.4	-173.2	176.8	-172.3	-1.9	112.8	F585 P586 R587 A609 Y610	F585-R589 HydrophobicContact CE1-CB 3.74Å; F585-R589 WeakPolarHBondContact CE1-O 3.47Å; F585-R589 HydrophobicContact CE2-CB 4.47Å; F585-R589 HydrophobicContact CZ-CB 3.55Å; P586-R589 HydrophobicContact CB-CG 4.21Å; P586-R589 WeakPolarHBondContact O-CB 3.29Å; P586-R589 PolarHBondContact O-N 3.03Å; R587-R589 PolarHBondContact O-N 3.45Å; R589-A609 WeakPolarHBondContact O-CA 3.49Å; R589-Y610 WeakPolarHBondContact CD-O 3.4Å; R589-Y610 WeakPolarHBondContact O-CD2 3.42Å; R589-Y610 PolarHBondContact O-N 2.86Å
590	L	91.2	Very high	87.8	Confident	16 Å²	16	61.8 Å²	61.8	8%	0.084	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	117.5	178	-164.8	67.9	0	0	0	109.4	F585 R587 F592 A607 A609 V621 V623 L668 I670	F585-L590 HydrophobicContact CE1-CB 4.17Å; F585-L590 HydrophobicContact CE1-CD1 4.37Å; R587-L590 PolarHBondContact O-N 3.27Å; L590-F592 HydrophobicContact CD2-CE1 3.97Å; L590-F592 HydrophobicContact CD2-CZ 4.08Å; L590-F592 HydrophobicContact CG-CE1 4.45Å; L590-A607 HydrophobicContact CD1-CB 3.94Å; L590-A607 HydrophobicContact CG-CB 4.17Å; L590-A609 HydrophobicContact CD1-CB 3.94Å; L590-V621 HydrophobicContact CD1-CG2 3.93Å; L590-V623 HydrophobicContact CD1-CG2 4.06Å; L590-V623 HydrophobicContact CD2-CG1 4.19Å; L590-V623 HydrophobicContact CD2-CG2 3.87Å; L590-V623 HydrophobicContact CG-CG2 4.3Å; L590-L668 HydrophobicContact CD2-CD1 3.84Å; L590-I670 HydrophobicContact CD1-CD1 4.14Å; L590-I670 HydrophobicContact CD2-CD1 4.09Å; L590-I670 HydrophobicContact CD2-CG1 4.29Å
591	S	91.8	Very high	87.2	Confident	59 Å²	59	59.2 Å²	59.2	41%	0.413	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	116.5	177.5	-177.5	0	0	0	0	110.3	A607 T608	S591-A607 CarbonylContact O-C 3.57Å; S591-A607 WeakPolarHBondContact O-CA 3.34Å; S591-A607 WeakPolarHBondContact O-CB 3.36Å; S591-T608 PolarHBondContact N-O 2.9Å; S591-T608 PolarHBondContact O-N 2.81Å
592	F	91.8	Very high	87	Confident	101 Å²	101	53 Å²	53	44%	0.443	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	138.3	-178.1	-63.8	-64.4	0	0	0	112.6	L590 V605 A607 V623 M625 L668	L590-F592 HydrophobicContact CD2-CE1 3.97Å; L590-F592 HydrophobicContact CD2-CZ 4.08Å; L590-F592 HydrophobicContact CG-CE1 4.45Å; F592-V605 HydrophobicContact CD1-CG2 3.41Å; F592-V605 VanDerWaalsContact CD1-CG2 3.41Å; F592-V605 HydrophobicContact CE1-CG2 3.89Å; F592-V605 HydrophobicContact CG-CG2 4.37Å; F592-A607 HydrophobicContact CD1-CB 4.01Å; F592-V623 HydrophobicContact CE1-CB 4.03Å; F592-V623 HydrophobicContact CE1-CG1 3.87Å; F592-V623 HydrophobicContact CE1-CG2 4.22Å; F592-M625 HydrophobicContact CD1-CE 4.02Å; F592-M625 HydrophobicContact CE1-CE 3.4Å; F592-M625 HydrophobicContact CZ-CE 3.83Å; F592-L668 HydrophobicContact CE1-CD1 4.44Å; F592-L668 HydrophobicContact CZ-CD1 3.68Å; F592-L668 HydrophobicContact CZ-CD2 4.25Å
593	G	88.5	Confident	86.9	Confident	52 Å²	52	50.2 Å²	50.2	54%	0.536	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	-138.7	172.8	0	0	0	0	0	111.8	E606	G593-E606 WeakPolarHBondContact CA-O 3.17Å; G593-E606 PolarHBondContact N-O 3.23Å
594	K	87.6	Confident	86.8	Confident	76 Å²	76	48.5 Å²	48.5	33%	0.33	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	155.2	-176.3	68.7	-175.6	-173.5	168.5	0	112.6	L596 V605 E606 P727	K594-L596 HydrophobicContact CG-CD2 4.37Å; K594-L596 PolarHBondContact O-N 2.89Å; K594-V605 CarbonylContact O-C 3.51Å; K594-V605 WeakPolarHBondContact O-CA 3.44Å; K594-E606 WeakPolarHBondContact CE-OE2 3.48Å; K594-E606 HydrophobicContact CG-CB 4.12Å; K594-E606 WeakPolarHBondContact CG-OE2 3.18Å; K594-E606 PolarHBondContact O-N 2.85Å; K594-P727 PolarHBondContact NZ-O 2.78Å
595	T	88.2	Confident	86.6	Confident	74 Å²	74	46.4 Å²	46.4	45%	0.454	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	126.2	169.7	-54.4	0	0	0	0	109.7	A598 K603	T595-A598 HydrophobicContact CG2-CB 4.09Å; T595-K603 HydrophobicContact CG2-CB 4.41Å
596	L	85.7	Confident	86.6	Confident	8 Å²	8	48 Å²	48	4%	0.042	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-41.1	176.7	-62.2	175.5	0	0	0	110.9	K594 V604 E606 A622 Y673 M725 K726	K594-L596 HydrophobicContact CG-CD2 4.37Å; K594-L596 PolarHBondContact O-N 2.89Å; L596-V604 HydrophobicContact CB-CG1 4.39Å; L596-V604 HydrophobicContact CD1-CG1 4.25Å; L596-V604 PolarHBondContact N-O 2.99Å; L596-E606 HydrophobicContact CD1-CB 4.23Å; L596-E606 HydrophobicContact CD2-CB 4.07Å; L596-E606 HydrophobicContact CG-CB 4.13Å; L596-A622 HydrophobicContact CD1-CB 4.16Å; L596-Y673 HydrophobicContact CD1-CD2 3.78Å; L596-Y673 HydrophobicContact CD1-CE2 3.61Å; L596-Y673 HydrophobicContact CD2-CE2 3.79Å; L596-Y673 HydrophobicContact CG-CE2 4.36Å; L596-M725 VanDerWaalsContact O-CA 3.29Å; L596-M725 WeakPolarHBondContact O-CA 3.48Å; L596-K726 PolarHBondContact O-N 3.09Å
597	G	80.4	Confident	86.7	Confident	9 Å²	9	45.2 Å²	45.2	9%	0.093	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	149.6	174.7	0	0	0	0	0	111.2	K603 V604	G597-K603 CarbonylContact O-C 3.58Å; G597-K603 WeakPolarHBondContact O-CA 3.47Å; G597-V604 PolarHBondContact N-O 3.02Å; G597-V604 PolarHBondContact O-N 2.73Å
598	A	80.6	Confident	86.7	Confident	47 Å²	47	43.9 Å²	43.9	39%	0.388	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	130.3	178.7	0	0	0	0	0	110.4	T595 K603 A815	T595-A598 HydrophobicContact CG2-CB 4.09Å; A598-K603 HydrophobicContact CB-CB 3.94Å; A598-A815 CarbonylContact C-O 3.58Å
599	G	73.7	Confident	86.7	Confident	3 Å²	3	37 Å²	37	3%	0.031	21%	0.21	C	C	.	.			trans	-119	-167.7	-175	0	0	0	0	0	112.9	F601 G602 K627 A815 R816	G599-F601 VanDerWaalsContact C-N 3.3Å; G599-F601 PolarHBondContact O-N 2.91Å; G599-G602 PolarHBondContact N-O 2.8Å; G599-K627 WeakPolarHBondContact O-CE 3.48Å; G599-K627 PolarHBondContact O-NZ 2.76Å; G599-A815 VanDerWaalsContact CA-O 3.25Å; G599-A815 WeakPolarHBondContact CA-O 3.31Å; G599-A815 PolarHBondContact N-O 2.9Å; G599-A815 VanDerWaalsContact N-O 3.08Å; G599-R816 VanDerWaalsContact CA-O 3.28Å; G599-R816 WeakPolarHBondContact CA-O 3.24Å
600	A	70.6	Confident	86.7	Confident	27 Å²	27	36.9 Å²	36.9	22%	0.223	21%	0.21	C	C	.	.	S	Bend	trans	-62.3	-40.3	176.5	0	0	0	0	0	111.6	K627 R816	A600-K627 PolarHBondContact O-NZ 2.9Å; A600-R816 PolarHBondContact N-O 2.87Å
601	F	75.4	Confident	86.4	Confident	11 Å²	11	37 Å²	37	5%	0.048	22%	0.215	C	C	.	.	S	Bend	trans	-98.8	-34.2	-167	-49.1	-70.6	0	0	0	113.7	Y554 G599 K627 E634 L814 I818	Y554-F601 HydrophobicContact CD2-CD2 4.1Å; Y554-F601 HydrophobicContact CD2-CE2 4.28Å; Y554-F601 HydrophobicContact CG-CD2 4.36Å; G599-F601 VanDerWaalsContact C-N 3.3Å; G599-F601 PolarHBondContact O-N 2.91Å; F601-K627 PolarHBondContact O-N 2.78Å; F601-E634 HydrophobicContact CD1-CG 4.4Å; F601-E634 VanDerWaalsContact CD1-OE1 3.3Å; F601-E634 WeakPolarHBondContact CD1-OE1 3.31Å; F601-L814 HydrophobicContact CB-CD2 3.67Å; F601-L814 HydrophobicContact CG-CD2 4.48Å; F601-I818 HydrophobicContact CE2-CD1 3.82Å; F601-I818 HydrophobicContact CE2-CG1 4.07Å
602	G	83.6	Confident	85.8	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	-167.8	-174.4	0	0	0	0	0	113.6	G599 M625 L814	G599-G602 PolarHBondContact N-O 2.8Å; G602-M625 CarbonylContact C-O 3.36Å; G602-M625 WeakPolarHBondContact CA-O 3.48Å; G602-L814 PolarHBondContact N-O 2.84Å
603	K	88	Confident	84.9	Confident	83 Å²	83	35 Å²	35	36%	0.361	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	154.6	172.4	65.2	176.6	-176	174.3	0	110.5	T595 G597 A598 V605 M625	T595-K603 HydrophobicContact CG2-CB 4.41Å; G597-K603 CarbonylContact O-C 3.58Å; G597-K603 WeakPolarHBondContact O-CA 3.47Å; A598-K603 HydrophobicContact CB-CB 3.94Å; K603-V605 HydrophobicContact CD-CG1 4.01Å; K603-V605 HydrophobicContact CG-CG1 4.23Å; K603-M625 HydrophobicContact CD-SD 4.46Å; K603-M625 WeakPolarHBondContact CE-SD 3.23Å; K603-M625 HydrophobicContact CG-CG 3.75Å; K603-M625 HydrophobicContact CG-SD 4.2Å; K603-M625 PolarHBondContact N-O 2.94Å; K603-M625 PolarHBondContact O-N 2.94Å; K603-M625 VanDerWaalsContact O-O 3.07Å
604	V	90.5	Very high	84.3	Confident	1 Å²	1	38 Å²	38	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	130.5	170.7	179.9	0	0	0	0	107.2	L596 G597 A622 V623 K624 F812 A815	L596-V604 HydrophobicContact CB-CG1 4.39Å; L596-V604 HydrophobicContact CD1-CG1 4.25Å; L596-V604 PolarHBondContact N-O 2.99Å; G597-V604 PolarHBondContact N-O 3.02Å; G597-V604 PolarHBondContact O-N 2.73Å; V604-A622 HydrophobicContact CG1-CB 4.08Å; V604-V623 WeakPolarHBondContact CA-O 3.41Å; V604-K624 HydrophobicContact CG2-CB 4.23Å; V604-K624 HydrophobicContact CG2-CG 3.95Å; V604-F812 HydrophobicContact CG1-CE1 4.16Å; V604-F812 HydrophobicContact CG2-CD1 3.6Å; V604-F812 HydrophobicContact CG2-CE1 3.65Å; V604-A815 HydrophobicContact CG2-CB 3.82Å
605	V	91.4	Very high	83.5	Confident	4 Å²	4	39.2 Å²	39.2	2%	0.024	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	149.3	-179.6	-54.7	0	0	0	0	109.9	F592 K594 K603 A622 V623 M625	F592-V605 HydrophobicContact CD1-CG2 3.41Å; F592-V605 VanDerWaalsContact CD1-CG2 3.41Å; F592-V605 HydrophobicContact CE1-CG2 3.89Å; F592-V605 HydrophobicContact CG-CG2 4.37Å; K594-V605 CarbonylContact O-C 3.51Å; K594-V605 WeakPolarHBondContact O-CA 3.44Å; K603-V605 HydrophobicContact CD-CG1 4.01Å; K603-V605 HydrophobicContact CG-CG1 4.23Å; V605-A622 CarbonylContact O-C 3.51Å; V605-A622 WeakPolarHBondContact O-CA 3.35Å; V605-V623 HydrophobicContact CG2-CB 4Å; V605-V623 PolarHBondContact N-O 2.83Å; V605-V623 PolarHBondContact O-N 2.8Å; V605-M625 HydrophobicContact CG1-CE 4.24Å; V605-M625 HydrophobicContact CG2-CE 3.46Å; V605-M625 VanDerWaalsContact CG2-CE 3.46Å
606	E	92.2	Very high	82.7	Confident	46 Å²	46	43.3 Å²	43.3	22%	0.215	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	140.9	163.1	-170	-178.6	166.4	0	0	108	G593 K594 L596 T620 Y673	G593-E606 WeakPolarHBondContact CA-O 3.17Å; G593-E606 PolarHBondContact N-O 3.23Å; K594-E606 WeakPolarHBondContact CE-OE2 3.48Å; K594-E606 HydrophobicContact CG-CB 4.12Å; K594-E606 WeakPolarHBondContact CG-OE2 3.18Å; K594-E606 PolarHBondContact O-N 2.85Å; L596-E606 HydrophobicContact CD1-CB 4.23Å; L596-E606 HydrophobicContact CD2-CB 4.07Å; L596-E606 HydrophobicContact CG-CB 4.13Å; E606-T620 HydrophobicContact CG-CG2 3.7Å; E606-Y673 HydrophobicContact CG-CE2 4.32Å
607	A	93.3	Very high	82.5	Confident	2 Å²	2	43.9 Å²	43.9	2%	0.017	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	161.6	171.7	0	0	0	0	0	110.7	L590 S591 F592 T620 V621 V623	L590-A607 HydrophobicContact CD1-CB 3.94Å; L590-A607 HydrophobicContact CG-CB 4.17Å; S591-A607 CarbonylContact O-C 3.57Å; S591-A607 WeakPolarHBondContact O-CA 3.34Å; S591-A607 WeakPolarHBondContact O-CB 3.36Å; F592-A607 HydrophobicContact CD1-CB 4.01Å; A607-T620 CarbonylContact O-C 3.59Å; A607-T620 WeakPolarHBondContact O-CA 3.44Å; A607-V621 HydrophobicContact CB-CG2 4Å; A607-V621 PolarHBondContact N-O 2.82Å; A607-V621 WeakPolarHBondContact O-CG2 3.4Å; A607-V621 PolarHBondContact O-N 3.48Å; A607-V623 HydrophobicContact CB-CG2 3.49Å; A607-V623 VanDerWaalsContact CB-CG2 3.49Å
608	T	93	Very high	82.7	Confident	40 Å²	40	45.8 Å²	45.8	25%	0.245	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	118.9	170.2	-51.6	0	0	0	0	108.7	S591 Y610 A618 M619	S591-T608 PolarHBondContact N-O 2.9Å; S591-T608 PolarHBondContact O-N 2.81Å; T608-Y610 HydrophobicContact CG2-CE1 4.11Å; T608-Y610 HydrophobicContact CG2-CE2 4.04Å; T608-A618 HydrophobicContact CG2-CB 3.89Å; T608-M619 CarbonylContact C-O 3.59Å; T608-M619 WeakPolarHBondContact CA-O 3.39Å
609	A	92.3	Very high	83	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	123.8	173	0	0	0	0	0	109.8	F585 R589 L590 L612 M619 V621	F585-A609 HydrophobicContact CE1-CB 4.2Å; F585-A609 HydrophobicContact CZ-CB 4.01Å; R589-A609 WeakPolarHBondContact O-CA 3.49Å; L590-A609 HydrophobicContact CD1-CB 3.94Å; A609-L612 HydrophobicContact CB-CB 4.13Å; A609-L612 HydrophobicContact CB-CD2 4.1Å; A609-M619 PolarHBondContact N-O 3.44Å; A609-M619 PolarHBondContact O-N 3.22Å; A609-V621 HydrophobicContact CB-CG1 4.01Å; A609-V621 HydrophobicContact CB-CG2 3.98Å
610	Y	91.5	Very high	83.9	Confident	115 Å²	115	48.5 Å²	48.5	45%	0.451	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	125.8	178.8	-61.8	-86.2	0	0	0	110.5	F585 R589 T608 A618	F585-Y610 WeakPolarHBondContact CZ-O 3.16Å; R589-Y610 WeakPolarHBondContact CD-O 3.4Å; R589-Y610 WeakPolarHBondContact O-CD2 3.42Å; R589-Y610 PolarHBondContact O-N 2.86Å; T608-Y610 HydrophobicContact CG2-CE1 4.11Å; T608-Y610 HydrophobicContact CG2-CE2 4.04Å; Y610-A618 HydrophobicContact CD1-CB 3.92Å; Y610-A618 HydrophobicContact CE1-CB 3.9Å
611	G	84.5	Confident	85	Confident	19 Å²	19	47.2 Å²	47.2	20%	0.196	26%	0.257	C	S	.	.	S	Bend	trans	81.7	19.1	176.1	0	0	0	0	0	115	K614 A617	G611-K614 VanDerWaalsContact CA-O 3.26Å; G611-K614 WeakPolarHBondContact CA-O 3.47Å; G611-A617 PolarHBondContact N-O 3.46Å
612	L	78.9	Confident	85.9	Confident	41 Å²	41	47 Å²	47	22%	0.215	26%	0.257	C	S	.	.	S	Bend	trans	-75.1	-43.6	-175.7	-172	68.5	0	0	0	113	F585 A609 M619 V621 L658	F585-L612 HydrophobicContact CD2-CD1 3.63Å; F585-L612 HydrophobicContact CE2-CB 4.21Å; F585-L612 HydrophobicContact CE2-CD1 3.77Å; F585-L612 HydrophobicContact CG-CD1 4.36Å; A609-L612 HydrophobicContact CB-CB 4.13Å; A609-L612 HydrophobicContact CB-CD2 4.1Å; L612-M619 HydrophobicContact CD2-SD 4Å; L612-V621 HydrophobicContact CD2-CG1 3.97Å; L612-L658 HydrophobicContact CD2-CB 3.7Å; L612-L658 HydrophobicContact CD2-CD1 3.92Å; L612-L658 HydrophobicContact CD2-CG 4.35Å
613	I	74.3	Confident	86.3	Confident	78 Å²	78	47 Å²	47	40%	0.4	26%	0.257	S	S	.	.	S	Bend	trans	-100.3	-49.1	178	-56.7	175.6	0	0	0	110.8	M619	I613-M619 HydrophobicContact CD1-CE 4.46Å; I613-M619 HydrophobicContact CD1-SD 3.63Å; I613-M619 HydrophobicContact CG1-SD 4.15Å
614	K	76.1	Confident	86.5	Confident	114 Å²	114	43.2 Å²	43.2	50%	0.496	24%	0.241	S	C	.	.	S	Bend	trans	-132.4	147.3	176.1	-66.1	179.3	-177.7	174.3	0	107.9	G611 D616 A617 S747	G611-K614 VanDerWaalsContact CA-O 3.26Å; G611-K614 WeakPolarHBondContact CA-O 3.47Å; K614-D616 PolarHBondContact O-N 3.25Å; K614-A617 HydrophobicContact CB-CB 4.14Å; K614-A617 PolarHBondContact O-N 3.28Å; K614-S747 PolarHBondContact NZ-OG 3.41Å
615	S	69.7	Low	86.5	Confident	101 Å²	101	44.2 Å²	44.2	71%	0.706	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-32.4	-172.5	-51.3	0	0	0	0	114.6
616	D	72.1	Confident	86.4	Confident	161 Å²	161	45.3 Å²	45.3	86%	0.861	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-0.1	-176.4	-57.8	-27.2	0	0	0	113.9	K614	K614-D616 PolarHBondContact O-N 3.25Å
617	A	80.3	Confident	86	Confident	19 Å²	19	47.1 Å²	47.1	16%	0.157	26%	0.258	C	S	.	.			trans	-89	138.8	-176.3	0	0	0	0	0	111.7	G611 K614	G611-A617 PolarHBondContact N-O 3.46Å; K614-A617 HydrophobicContact CB-CB 4.14Å; K614-A617 PolarHBondContact O-N 3.28Å
618	A	85.3	Confident	85.6	Confident	49 Å²	49	53.3 Å²	53.3	41%	0.405	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	129	168.6	0	0	0	0	0	109.4	T608 Y610	T608-A618 HydrophobicContact CG2-CB 3.89Å; Y610-A618 HydrophobicContact CD1-CB 3.92Å; Y610-A618 HydrophobicContact CE1-CB 3.9Å
619	M	87.4	Confident	85	Confident	51 Å²	51	56.1 Å²	56.1	25%	0.251	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	132.5	-179.6	-175.8	179.2	-177	0	0	110.5	T608 A609 L612 I613 V621 L658	T608-M619 CarbonylContact C-O 3.59Å; T608-M619 WeakPolarHBondContact CA-O 3.39Å; A609-M619 PolarHBondContact N-O 3.44Å; A609-M619 PolarHBondContact O-N 3.22Å; L612-M619 HydrophobicContact CD2-SD 4Å; I613-M619 HydrophobicContact CD1-CE 4.46Å; I613-M619 HydrophobicContact CD1-SD 3.63Å; I613-M619 HydrophobicContact CG1-SD 4.15Å; M619-V621 HydrophobicContact CG-CG1 4.12Å; M619-V621 HydrophobicContact SD-CG1 4.35Å; M619-L658 HydrophobicContact CE-CD1 3.79Å; M619-L658 HydrophobicContact SD-CD1 4.08Å
620	T	91.4	Very high	84.3	Confident	57 Å²	57	56.4 Å²	56.4	35%	0.35	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	127.7	168.8	-54.2	0	0	0	0	109.7	E606 A607 Y673	E606-T620 HydrophobicContact CG-CG2 3.7Å; A607-T620 CarbonylContact O-C 3.59Å; A607-T620 WeakPolarHBondContact O-CA 3.44Å; T620-Y673 HydrophobicContact CG2-CD1 3.67Å; T620-Y673 HydrophobicContact CG2-CD2 4.44Å; T620-Y673 HydrophobicContact CG2-CE1 4.17Å; T620-Y673 HydrophobicContact CG2-CG 3.8Å
621	V	93.9	Very high	83.8	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	159.3	-176.3	-62	0	0	0	0	109.8	L590 A607 A609 L612 M619 V623 L658 I670 T671	L590-V621 HydrophobicContact CD1-CG2 3.93Å; A607-V621 HydrophobicContact CB-CG2 4Å; A607-V621 PolarHBondContact N-O 2.82Å; A607-V621 WeakPolarHBondContact O-CG2 3.4Å; A607-V621 PolarHBondContact O-N 3.48Å; A609-V621 HydrophobicContact CB-CG1 4.01Å; A609-V621 HydrophobicContact CB-CG2 3.98Å; L612-V621 HydrophobicContact CD2-CG1 3.97Å; M619-V621 HydrophobicContact CG-CG1 4.12Å; M619-V621 HydrophobicContact SD-CG1 4.35Å; V621-V623 HydrophobicContact CG2-CG2 4.08Å; V621-L658 HydrophobicContact CG1-CD1 3.7Å; V621-I670 HydrophobicContact CB-CG2 3.67Å; V621-I670 HydrophobicContact CG1-CG2 3.97Å; V621-I670 HydrophobicContact CG2-CG2 3.61Å; V621-T671 WeakPolarHBondContact CB-O 3.18Å
622	A	94.1	Very high	83.6	Confident	5 Å²	5	60.9 Å²	60.9	4%	0.041	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	136.4	167.3	0	0	0	0	0	109	L596 V604 V605 T671	L596-A622 HydrophobicContact CD1-CB 4.16Å; V604-A622 HydrophobicContact CG1-CB 4.08Å; V605-A622 CarbonylContact O-C 3.51Å; V605-A622 WeakPolarHBondContact O-CA 3.35Å; A622-T671 PolarHBondContact N-O 3.15Å; A622-T671 PolarHBondContact O-N 2.96Å
623	V	93.5	Very high	83.5	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	115.7	-179.4	-172.5	0	0	0	0	109.8	L590 F592 V604 V605 A607 V621 M625 L668 V669 I670	L590-V623 HydrophobicContact CD1-CG2 4.06Å; L590-V623 HydrophobicContact CD2-CG1 4.19Å; L590-V623 HydrophobicContact CD2-CG2 3.87Å; L590-V623 HydrophobicContact CG-CG2 4.3Å; F592-V623 HydrophobicContact CE1-CB 4.03Å; F592-V623 HydrophobicContact CE1-CG1 3.87Å; F592-V623 HydrophobicContact CE1-CG2 4.22Å; V604-V623 WeakPolarHBondContact CA-O 3.41Å; V605-V623 HydrophobicContact CG2-CB 4Å; V605-V623 PolarHBondContact N-O 2.83Å; V605-V623 PolarHBondContact O-N 2.8Å; A607-V623 HydrophobicContact CB-CG2 3.49Å; A607-V623 VanDerWaalsContact CB-CG2 3.49Å; V621-V623 HydrophobicContact CG2-CG2 4.08Å; V623-M625 HydrophobicContact CB-CE 4.36Å; V623-M625 HydrophobicContact CG1-CE 4.01Å; V623-L668 HydrophobicContact CG1-CB 3.8Å; V623-L668 HydrophobicContact CG1-CD1 4.46Å; V623-L668 HydrophobicContact CG1-CD2 4.2Å; V623-L668 HydrophobicContact CG1-CG 4.37Å; V623-V669 CarbonylContact C-O 3.56Å; V623-V669 WeakPolarHBondContact CA-O 3.32Å; V623-I670 HydrophobicContact CG2-CG1 4.42Å
624	K	91.7	Very high	83.7	Confident	4 Å²	4	59 Å²	59	2%	0.017	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	130.8	176.4	-164	176.6	-158.8	-170.4	0	109.7	V604 L638 E641 V669 D811 L814	V604-K624 HydrophobicContact CG2-CB 4.23Å; V604-K624 HydrophobicContact CG2-CG 3.95Å; K624-L638 HydrophobicContact CD-CD1 4.06Å; K624-L638 HydrophobicContact CG-CD1 4.13Å; K624-E641 WeakPolarHBondContact CD-OE1 3.18Å; K624-E641 IonicContact NZ-OE1 3.7Å; K624-E641 PolarHBondContact NZ-OE1 3.46Å; K624-E641 IonicContact NZ-OE2 2.77Å; K624-E641 PolarHBondContact NZ-OE2 3.41Å; K624-V669 HydrophobicContact CB-CB 4.27Å; K624-V669 PolarHBondContact N-O 3.39Å; K624-V669 PolarHBondContact O-N 3.37Å; K624-D811 PolarHBondContact NZ-O 3.31Å; K624-L814 HydrophobicContact CD-CD1 4.07Å; K624-L814 HydrophobicContact CG-CD1 4.32Å
625	M	89.9	Confident	84.1	Confident	22 Å²	22	60.1 Å²	60.1	11%	0.108	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	155	-179.9	68.7	-171.7	73	0	0	111.7	F592 G602 K603 V605 V623 L668	F592-M625 HydrophobicContact CD1-CE 4.02Å; F592-M625 HydrophobicContact CE1-CE 3.4Å; F592-M625 HydrophobicContact CZ-CE 3.83Å; G602-M625 CarbonylContact C-O 3.36Å; G602-M625 WeakPolarHBondContact CA-O 3.48Å; K603-M625 HydrophobicContact CD-SD 4.46Å; K603-M625 WeakPolarHBondContact CE-SD 3.23Å; K603-M625 HydrophobicContact CG-CG 3.75Å; K603-M625 HydrophobicContact CG-SD 4.2Å; K603-M625 PolarHBondContact N-O 2.94Å; K603-M625 PolarHBondContact O-N 2.94Å; K603-M625 VanDerWaalsContact O-O 3.07Å; V605-M625 HydrophobicContact CG1-CE 4.24Å; V605-M625 HydrophobicContact CG2-CE 3.46Å; V605-M625 VanDerWaalsContact CG2-CE 3.46Å; V623-M625 HydrophobicContact CB-CE 4.36Å; V623-M625 HydrophobicContact CG1-CE 4.01Å; M625-L668 HydrophobicContact CB-CD2 3.72Å; M625-L668 HydrophobicContact CE-CD2 4.09Å; M625-L668 HydrophobicContact SD-CD2 4.45Å
626	L	89	Confident	84.8	Confident	27 Å²	27	60 Å²	60	14%	0.141	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	158.3	175.2	-67.3	169.5	0	0	0	112.1	A630 E634 R635 L638 L814	L626-A630 HydrophobicContact CB-CB 3.67Å; L626-A630 HydrophobicContact CD1-CB 4.02Å; L626-A630 HydrophobicContact CD2-CB 4.39Å; L626-A630 HydrophobicContact CG-CB 4.23Å; L626-E634 HydrophobicContact CD1-CB 4.38Å; L626-E634 WeakPolarHBondContact CD1-O 3.37Å; L626-E634 HydrophobicContact CD2-CB 4.23Å; L626-R635 VanDerWaalsContact CD1-CA 3.47Å; L626-R635 HydrophobicContact CD1-CB 4.15Å; L626-R635 HydrophobicContact CD1-CG 3.74Å; L626-L638 HydrophobicContact CD1-CB 4.11Å; L626-L638 HydrophobicContact CD1-CD2 4.16Å; L626-L638 HydrophobicContact CG-CB 4.31Å; L626-L638 HydrophobicContact CG-CD2 3.88Å; L626-L814 HydrophobicContact CD2-CD1 4.25Å; L626-L814 HydrophobicContact CD2-CD2 3.67Å
627	K	84.8	Confident	85.2	Confident	85 Å²	85	52.7 Å²	52.7	37%	0.37	29%	0.288	S	S	.	.			trans	-66.3	152.3	167.7	-71.7	-176.7	-177.4	168.2	0	110.1	G599 A600 F601 S629 A630	G599-K627 WeakPolarHBondContact O-CE 3.48Å; G599-K627 PolarHBondContact O-NZ 2.76Å; A600-K627 PolarHBondContact O-NZ 2.9Å; F601-K627 PolarHBondContact O-N 2.78Å; K627-S629 PolarHBondContact O-N 3.38Å; K627-A630 WeakPolarHBondContact O-CB 3.34Å; K627-A630 PolarHBondContact O-N 3.41Å
628	P	84	Confident	85.6	Confident	132 Å²	132	51.8 Å²	51.8	86%	0.857	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-27.8	177.5	-26.2	34.7	0	0	0	114.1	A630	P628-A630 PolarHBondContact O-N 3.39Å
629	S	81.6	Confident	85.7	Confident	98 Å²	98	51.6 Å²	51.6	69%	0.685	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	7	178.4	59.9	0	0	0	0	114.5	K627	K627-S629 PolarHBondContact O-N 3.38Å
630	A	77.6	Confident	85.7	Confident	7 Å²	7	49.6 Å²	49.6	6%	0.058	26%	0.263	C	S	.	.			trans	-70.2	133.4	-171.4	0	0	0	0	0	113.3	L626 K627 P628 E634 R635	L626-A630 HydrophobicContact CB-CB 3.67Å; L626-A630 HydrophobicContact CD1-CB 4.02Å; L626-A630 HydrophobicContact CD2-CB 4.39Å; L626-A630 HydrophobicContact CG-CB 4.23Å; K627-A630 WeakPolarHBondContact O-CB 3.34Å; K627-A630 PolarHBondContact O-N 3.41Å; P628-A630 PolarHBondContact O-N 3.39Å; A630-E634 WeakPolarHBondContact CA-OE2 3.47Å; A630-E634 HydrophobicContact CB-CB 4.27Å; A630-E634 VanDerWaalsContact CB-OE2 3.23Å; A630-E634 WeakPolarHBondContact CB-OE2 3.38Å; A630-R635 PolarHBondContact O-NE 3.32Å; A630-R635 PolarHBondContact O-NH2 3.31Å
631	H	79.4	Confident	85.4	Confident	109 Å²	109	47.8 Å²	47.8	51%	0.505	25%	0.251	S	S	.	.			trans	-70.8	161.9	178	-87.9	-75.7	0	0	0	112	T633 E634 R635	H631-T633 VanDerWaalsContact C-N 3.28Å; H631-T633 PolarHBondContact O-N 2.9Å; H631-E634 HydrophobicContact CB-CG 4.5Å; H631-E634 PolarHBondContact N-OE2 2.88Å; H631-E634 WeakPolarHBondContact O-CB 3.35Å; H631-E634 PolarHBondContact O-N 3.41Å; H631-E634 VanDerWaalsContact O-N 3.09Å; H631-R635 PolarHBondContact O-N 3.47Å; H631-R635 VanDerWaalsContact O-N 3.15Å
632	L	81	Confident	85.2	Confident	118 Å²	118	47.8 Å²	47.8	62%	0.618	25%	0.251	S	S	*	.	H	α-helix	trans	-55.5	-42.4	-178	-167.3	74.5	0	0	0	112.4	E634 R635 E636	L632-E634 VanDerWaalsContact C-N 3.31Å; L632-E634 PolarHBondContact O-N 3.34Å; L632-R635 WeakPolarHBondContact O-CA 3.33Å; L632-R635 WeakPolarHBondContact O-CB 3.39Å; L632-R635 PolarHBondContact O-N 3.02Å; L632-R635 VanDerWaalsContact O-N 3.1Å; L632-E636 WeakPolarHBondContact O-CG 3.38Å; L632-E636 PolarHBondContact O-N 3.18Å
633	T	77	Confident	85.1	Confident	54 Å²	54	49.2 Å²	49.2	33%	0.331	26%	0.256	S	S	.	.	H	α-helix	trans	-65.1	-33.2	179.5	56.6	0	0	0	0	112.8	M553 H631 R635 E636 A637	M553-T633 HydrophobicContact CE-CG2 3.59Å; H631-T633 VanDerWaalsContact C-N 3.28Å; H631-T633 PolarHBondContact O-N 2.9Å; T633-R635 VanDerWaalsContact C-N 3.35Å; T633-E636 PolarHBondContact O-N 3.47Å; T633-A637 WeakPolarHBondContact O-CB 3.29Å; T633-A637 PolarHBondContact O-N 3.25Å
634	E	79	Confident	84.8	Confident	26 Å²	26	49.3 Å²	49.3	12%	0.121	26%	0.257	C	S	.	.	H	α-helix	trans	-70.7	-34.9	175.1	-62.5	166.5	164.1	0	0	110.9	F601 L626 A630 H631 L632 A637 L638	F601-E634 HydrophobicContact CD1-CG 4.4Å; F601-E634 VanDerWaalsContact CD1-OE1 3.3Å; F601-E634 WeakPolarHBondContact CD1-OE1 3.31Å; L626-E634 HydrophobicContact CD1-CB 4.38Å; L626-E634 WeakPolarHBondContact CD1-O 3.37Å; L626-E634 HydrophobicContact CD2-CB 4.23Å; A630-E634 WeakPolarHBondContact CA-OE2 3.47Å; A630-E634 HydrophobicContact CB-CB 4.27Å; A630-E634 VanDerWaalsContact CB-OE2 3.23Å; A630-E634 WeakPolarHBondContact CB-OE2 3.38Å; H631-E634 HydrophobicContact CB-CG 4.5Å; H631-E634 PolarHBondContact N-OE2 2.88Å; H631-E634 WeakPolarHBondContact O-CB 3.35Å; H631-E634 PolarHBondContact O-N 3.41Å; H631-E634 VanDerWaalsContact O-N 3.09Å; L632-E634 VanDerWaalsContact C-N 3.31Å; L632-E634 PolarHBondContact O-N 3.34Å; E634-A637 PolarHBondContact O-N 2.99Å; E634-L638 PolarHBondContact O-N 3.45Å
635	R	84.7	Confident	84.7	Confident	137 Å²	137	49.8 Å²	49.8	52%	0.517	26%	0.259	S	S	.	.	H	α-helix	trans	-66.6	-42.9	173.3	-61.3	175.3	-172.2	-169.3	-1.2	111.6	L626 A630 H631 L632 T633 A637 L638 M639	L626-R635 VanDerWaalsContact CD1-CA 3.47Å; L626-R635 HydrophobicContact CD1-CB 4.15Å; L626-R635 HydrophobicContact CD1-CG 3.74Å; A630-R635 PolarHBondContact O-NE 3.32Å; A630-R635 PolarHBondContact O-NH2 3.31Å; H631-R635 PolarHBondContact O-N 3.47Å; H631-R635 VanDerWaalsContact O-N 3.15Å; L632-R635 WeakPolarHBondContact O-CA 3.33Å; L632-R635 WeakPolarHBondContact O-CB 3.39Å; L632-R635 PolarHBondContact O-N 3.02Å; L632-R635 VanDerWaalsContact O-N 3.1Å; T633-R635 VanDerWaalsContact C-N 3.35Å; R635-A637 VanDerWaalsContact C-N 3.35Å; R635-L638 PolarHBondContact O-N 2.91Å; R635-M639 WeakPolarHBondContact O-CB 2.91Å; R635-M639 PolarHBondContact O-N 3.26Å
636	E	83.4	Confident	84.7	Confident	98 Å²	98	49.6 Å²	49.6	46%	0.458	26%	0.26	S	S	.	.	H	α-helix	trans	-62.6	-42.2	174.3	-72.3	170.3	166.8	0	0	111.1	L632 T633 M639 S640	L632-E636 WeakPolarHBondContact O-CG 3.38Å; L632-E636 PolarHBondContact O-N 3.18Å; T633-E636 PolarHBondContact O-N 3.47Å; E636-M639 PolarHBondContact O-N 2.83Å; E636-S640 WeakPolarHBondContact O-CB 3.38Å; E636-S640 PolarHBondContact O-N 3.43Å; E636-S640 PolarHBondContact O-OG 3.29Å
637	A	81.1	Confident	84.7	Confident	8 Å²	8	53.5 Å²	53.5	7%	0.066	27%	0.274	C	S	.	.	H	α-helix	trans	-62.8	-44.6	176.6	0	0	0	0	0	112.9	Y554 V556 T633 E634 R635 M639 S640 E641	Y554-A637 HydrophobicContact CD1-CB 3.49Å; Y554-A637 VanDerWaalsContact CD1-CB 3.49Å; Y554-A637 HydrophobicContact CE1-CB 3.84Å; V556-A637 HydrophobicContact CG2-CB 4.02Å; V556-A637 WeakPolarHBondContact CG2-O 3.42Å; T633-A637 WeakPolarHBondContact O-CB 3.29Å; T633-A637 PolarHBondContact O-N 3.25Å; E634-A637 PolarHBondContact O-N 2.99Å; R635-A637 VanDerWaalsContact C-N 3.35Å; A637-M639 VanDerWaalsContact C-N 3.29Å; A637-M639 PolarHBondContact O-N 3.44Å; A637-S640 WeakPolarHBondContact O-CB 3.39Å; A637-S640 PolarHBondContact O-N 3Å; A637-E641 PolarHBondContact O-N 3.33Å
638	L	87.4	Confident	84.9	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.9	-37.4	174.2	-179.3	65	0	0	0	111.7	K624 L626 E634 R635 E641 L642 T667 V669 L814	K624-L638 HydrophobicContact CD-CD1 4.06Å; K624-L638 HydrophobicContact CG-CD1 4.13Å; L626-L638 HydrophobicContact CD1-CB 4.11Å; L626-L638 HydrophobicContact CD1-CD2 4.16Å; L626-L638 HydrophobicContact CG-CB 4.31Å; L626-L638 HydrophobicContact CG-CD2 3.88Å; E634-L638 PolarHBondContact O-N 3.45Å; R635-L638 PolarHBondContact O-N 2.91Å; L638-E641 PolarHBondContact O-N 3.03Å; L638-L642 PolarHBondContact O-N 2.91Å; L638-L642 VanDerWaalsContact O-N 3.1Å; L638-T667 HydrophobicContact CD2-CG2 4.19Å; L638-T667 HydrophobicContact CG-CG2 4.41Å; L638-V669 HydrophobicContact CD1-CG2 3.71Å; L638-V669 HydrophobicContact CG-CG2 4.09Å; L638-L814 HydrophobicContact CB-CD1 4.13Å; L638-L814 HydrophobicContact CD1-CD1 3.56Å; L638-L814 HydrophobicContact CG-CD1 4.37Å
639	M	88.7	Confident	85.1	Confident	45 Å²	45	44.4 Å²	44.4	22%	0.222	23%	0.228	C	C	.	.	H	α-helix	trans	-68.4	-39.3	176.9	-167.4	66.5	-169.2	0	0	112	Y579 R635 E636 A637 L642 K643 T662 T667	Y579-M639 HydrophobicContact CD1-CE 4.25Å; Y579-M639 HydrophobicContact CD2-CE 4.15Å; Y579-M639 HydrophobicContact CG-CE 3.8Å; R635-M639 WeakPolarHBondContact O-CB 2.91Å; R635-M639 PolarHBondContact O-N 3.26Å; E636-M639 PolarHBondContact O-N 2.83Å; A637-M639 VanDerWaalsContact C-N 3.29Å; A637-M639 PolarHBondContact O-N 3.44Å; M639-L642 HydrophobicContact CE-CD2 4.28Å; M639-L642 WeakPolarHBondContact O-CB 3.36Å; M639-L642 PolarHBondContact O-N 3.24Å; M639-L642 HydrophobicContact SD-CD2 4.01Å; M639-K643 HydrophobicContact CG-CD 4.48Å; M639-K643 VanDerWaalsContact O-CG 3.29Å; M639-K643 WeakPolarHBondContact O-CG 3.2Å; M639-K643 PolarHBondContact O-N 3.4Å; M639-T662 HydrophobicContact CE-CG2 4.36Å; M639-T662 HydrophobicContact SD-CG2 4.42Å; M639-T667 HydrophobicContact SD-CG2 4.43Å
640	S	86.3	Confident	85.6	Confident	9 Å²	9	43.7 Å²	43.7	6%	0.063	22%	0.216	C	C	.	.	H	α-helix	trans	-62	-43.3	173.7	-76.2	0	0	0	0	111.7	E636 A637 L642 K643 V644	E636-S640 WeakPolarHBondContact O-CB 3.38Å; E636-S640 PolarHBondContact O-N 3.43Å; E636-S640 PolarHBondContact O-OG 3.29Å; A637-S640 WeakPolarHBondContact O-CB 3.39Å; A637-S640 PolarHBondContact O-N 3Å; S640-L642 PolarHBondContact O-N 2.87Å; S640-K643 PolarHBondContact O-N 2.98Å; S640-V644 VanDerWaalsContact O-CG2 3.31Å; S640-V644 WeakPolarHBondContact O-CG2 3.22Å; S640-V644 PolarHBondContact O-N 2.75Å
641	E	85.7	Confident	86.4	Confident	20 Å²	20	45.5 Å²	45.5	9%	0.093	22%	0.223	C	C	.	.	H	α-helix	trans	-59.8	-45.2	174.3	-175.1	-174.8	165.4	0	0	111.9	V556 K624 A637 L638 K643 V644 L645	V556-E641 HydrophobicContact CG2-CB 4.35Å; K624-E641 WeakPolarHBondContact CD-OE1 3.18Å; K624-E641 IonicContact NZ-OE1 3.7Å; K624-E641 PolarHBondContact NZ-OE1 3.46Å; K624-E641 IonicContact NZ-OE2 2.77Å; K624-E641 PolarHBondContact NZ-OE2 3.41Å; A637-E641 PolarHBondContact O-N 3.33Å; L638-E641 PolarHBondContact O-N 3.03Å; E641-K643 VanDerWaalsContact C-N 3.34Å; E641-K643 PolarHBondContact O-N 3.41Å; E641-V644 PolarHBondContact O-N 2.51Å; E641-L645 HydrophobicContact CG-CD1 4.31Å; E641-L645 WeakPolarHBondContact O-CG 3.46Å; E641-L645 PolarHBondContact O-N 3.32Å
642	L	90.1	Very high	87.1	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-57.4	-45.9	174.8	172.5	58.9	0	0	0	112	Y579 L638 M639 S640 L645 S646 L657 A660 T662 T667 V669	Y579-L642 HydrophobicContact CD2-CD2 3.92Å; Y579-L642 HydrophobicContact CD2-CG 4.04Å; Y579-L642 HydrophobicContact CE2-CD1 4.14Å; Y579-L642 HydrophobicContact CE2-CD2 3.58Å; Y579-L642 HydrophobicContact CE2-CG 3.87Å; L638-L642 PolarHBondContact O-N 2.91Å; L638-L642 VanDerWaalsContact O-N 3.1Å; M639-L642 HydrophobicContact CE-CD2 4.28Å; M639-L642 WeakPolarHBondContact O-CB 3.36Å; M639-L642 PolarHBondContact O-N 3.24Å; M639-L642 HydrophobicContact SD-CD2 4.01Å; S640-L642 PolarHBondContact O-N 2.87Å; L642-L645 PolarHBondContact O-N 3.13Å; L642-S646 WeakPolarHBondContact O-CB 3.33Å; L642-S646 PolarHBondContact O-N 2.7Å; L642-L657 HydrophobicContact CD1-CD1 3.62Å; L642-L657 HydrophobicContact CD1-CD2 3.71Å; L642-L657 HydrophobicContact CD1-CG 4.34Å; L642-A660 HydrophobicContact CD1-CB 3.6Å; L642-A660 HydrophobicContact CD2-CB 3.62Å; L642-A660 HydrophobicContact CG-CB 4.28Å; L642-T662 HydrophobicContact CD2-CG2 3.71Å; L642-T667 HydrophobicContact CD2-CG2 4.43Å; L642-V669 HydrophobicContact CB-CG2 3.97Å; L642-V669 HydrophobicContact CD1-CG1 4.29Å; L642-V669 HydrophobicContact CD1-CG2 4.37Å
643	K	90.6	Very high	87.8	Confident	35 Å²	35	36 Å²	36	15%	0.152	18%	0.176	C	C	.	.	H	α-helix	trans	-64.6	-40.8	178.8	-71.4	167.2	168.4	-147.7	0	112.1	P574 T575 L577 M639 S640 E641 S646 Y647	P574-K643 WeakPolarHBondContact O-CD 3.43Å; T575-K643 PolarHBondContact O-NZ 3.47Å; L577-K643 HydrophobicContact CB-CB 3.92Å; L577-K643 HydrophobicContact CB-CD 4.44Å; L577-K643 WeakPolarHBondContact O-CD 3.4Å; L577-K643 WeakPolarHBondContact O-CE 3.3Å; L577-K643 PolarHBondContact O-NZ 3.06Å; M639-K643 HydrophobicContact CG-CD 4.48Å; M639-K643 VanDerWaalsContact O-CG 3.29Å; M639-K643 WeakPolarHBondContact O-CG 3.2Å; M639-K643 PolarHBondContact O-N 3.4Å; S640-K643 PolarHBondContact O-N 2.98Å; E641-K643 VanDerWaalsContact C-N 3.34Å; E641-K643 PolarHBondContact O-N 3.41Å; K643-S646 PolarHBondContact O-N 3.21Å; K643-Y647 WeakPolarHBondContact O-CB 3.48Å; K643-Y647 PolarHBondContact O-N 3.31Å
644	V	87.6	Confident	88.6	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.006	16%	0.161	C	C	.	.	H	α-helix	trans	-63.8	-49.2	175.9	172.4	0	0	0	0	110.7	W558 V560 P574 L577 S640 E641 S646 Y647 L648	W558-V644 HydrophobicContact CB-CG1 4.12Å; W558-V644 HydrophobicContact CE3-CG1 3.84Å; V560-V644 HydrophobicContact CG2-CG1 4.48Å; V560-V644 HydrophobicContact CG2-CG2 4.45Å; P574-V644 HydrophobicContact CB-CG2 3.95Å; P574-V644 HydrophobicContact CG-CG2 4.29Å; L577-V644 HydrophobicContact CD1-CG2 3.94Å; S640-V644 VanDerWaalsContact O-CG2 3.31Å; S640-V644 WeakPolarHBondContact O-CG2 3.22Å; S640-V644 PolarHBondContact O-N 2.75Å; E641-V644 PolarHBondContact O-N 2.51Å; V644-S646 VanDerWaalsContact C-N 3.28Å; V644-S646 PolarHBondContact O-N 3.01Å; V644-Y647 WeakPolarHBondContact O-CB 3.46Å; V644-Y647 PolarHBondContact O-N 3.46Å; V644-L648 HydrophobicContact CG1-CD1 3.86Å; V644-L648 HydrophobicContact CG1-CG 4.25Å; V644-L648 VanDerWaalsContact O-CG 3.3Å; V644-L648 WeakPolarHBondContact O-CG 3.47Å; V644-L648 PolarHBondContact O-N 3.11Å
645	L	90.2	Very high	89.3	Confident	14 Å²	14	32.5 Å²	32.5	7%	0.073	16%	0.157	C	C	.	.	H	α-helix	trans	-60	-39.4	177.4	-70.9	171.9	0	0	0	112.2	W558 E641 L642 Y647 G649 L657 V669	W558-L645 HydrophobicContact CH2-CD2 4.25Å; W558-L645 HydrophobicContact CZ3-CD2 3.84Å; E641-L645 HydrophobicContact CG-CD1 4.31Å; E641-L645 WeakPolarHBondContact O-CG 3.46Å; E641-L645 PolarHBondContact O-N 3.32Å; L642-L645 PolarHBondContact O-N 3.13Å; L645-Y647 VanDerWaalsContact C-N 3.35Å; L645-G649 PolarHBondContact O-N 3.34Å; L645-L657 HydrophobicContact CB-CB 4.07Å; L645-L657 HydrophobicContact CB-CD2 4.4Å; L645-V669 HydrophobicContact CD1-CG1 4.34Å
646	S	90.1	Very high	89.8	Confident	18 Å²	18	26.6 Å²	26.6	13%	0.126	14%	0.135	C	C	.	.	H	α-helix	trans	-61.9	-40.6	173.3	174.1	0	0	0	0	112.5	W583 L642 K643 V644	W583-S646 VanDerWaalsContact CD1-OG 3.25Å; W583-S646 PolarHBondContact NE1-OG 2.84Å; L642-S646 WeakPolarHBondContact O-CB 3.33Å; L642-S646 PolarHBondContact O-N 2.7Å; K643-S646 PolarHBondContact O-N 3.21Å; V644-S646 VanDerWaalsContact C-N 3.28Å; V644-S646 PolarHBondContact O-N 3.01Å
647	Y	87.7	Confident	90.3	Very high	109 Å²	109	22 Å²	22	43%	0.427	11%	0.114	S	C	.	.	H	α-helix	trans	-69.3	-42.1	-179.5	173	-98.6	0	0	0	112.7	V560 L577 K643 V644 L645 G649	V560-Y647 HydrophobicContact CG1-CD1 4.25Å; V560-Y647 HydrophobicContact CG1-CE1 3.6Å; V560-Y647 HydrophobicContact CG2-CD1 4.16Å; V560-Y647 HydrophobicContact CG2-CE1 4.32Å; L577-Y647 HydrophobicContact CD2-CD2 4.2Å; L577-Y647 HydrophobicContact CD2-CG 4.41Å; K643-Y647 WeakPolarHBondContact O-CB 3.48Å; K643-Y647 PolarHBondContact O-N 3.31Å; V644-Y647 WeakPolarHBondContact O-CB 3.46Å; V644-Y647 PolarHBondContact O-N 3.46Å; L645-Y647 VanDerWaalsContact C-N 3.35Å; Y647-G649 VanDerWaalsContact C-N 3.31Å; Y647-G649 PolarHBondContact O-N 2.85Å
648	L	89.3	Confident	90.9	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.01	12%	0.121	C	C	.	.	H	α-helix	trans	-64.2	-37.8	-178	-66.4	171.6	0	0	0	112.3	W558 V644 F783 L784 K787 C789	W558-L648 HydrophobicContact CE3-CD1 3.5Å; W558-L648 VanDerWaalsContact CE3-CD1 3.5Å; W558-L648 HydrophobicContact CZ3-CD1 3.28Å; V644-L648 HydrophobicContact CG1-CD1 3.86Å; V644-L648 HydrophobicContact CG1-CG 4.25Å; V644-L648 VanDerWaalsContact O-CG 3.3Å; V644-L648 WeakPolarHBondContact O-CG 3.47Å; V644-L648 PolarHBondContact O-N 3.11Å; L648-F783 HydrophobicContact CB-CE1 4.49Å; L648-F783 WeakPolarHBondContact O-CZ 3.27Å; L648-L784 HydrophobicContact CD1-CD2 3.75Å; L648-L784 HydrophobicContact CD2-CD2 4.26Å; L648-K787 HydrophobicContact CD2-CB 3.6Å; L648-K787 HydrophobicContact CD2-CG 4.3Å; L648-K787 WeakPolarHBondContact O-CE 3.41Å; L648-C789 HydrophobicContact CD2-CB 3.58Å
649	G	89.1	Confident	91.1	Very high	24 Å²	24	23.5 Å²	23.5	25%	0.247	12%	0.121	C	C	.	.			trans	80	-161.4	-171.3	0	0	0	0	0	111.9	L645 Y647	L645-G649 PolarHBondContact O-N 3.34Å; Y647-G649 VanDerWaalsContact C-N 3.31Å; Y647-G649 PolarHBondContact O-N 2.85Å
650	N	91.7	Very high	91.5	Very high	84 Å²	84	21.4 Å²	21.4	45%	0.449	11%	0.111	S	C	.	.			trans	-98.4	140.7	-171.6	-63.6	-14	0	0	0	112.7	N656	N650-N656 WeakPolarHBondContact CA-OD1 3.34Å; N650-N656 WeakPolarHBondContact CB-OD1 3.43Å
651	H	94.3	Very high	91.9	Very high	44 Å²	44	21 Å²	21	20%	0.204	11%	0.108	C	C	.	.			trans	-145.7	150.2	170.6	-176.5	-97.3	0	0	0	111.3	N653 I654 N656 F783	H651-N653 VanDerWaalsContact C-N 3.25Å; H651-N653 PolarHBondContact ND1-N 3.36Å; H651-N653 PolarHBondContact O-N 3.02Å; H651-I654 HydrophobicContact CB-CD1 3.86Å; H651-I654 HydrophobicContact CB-CG1 3.88Å; H651-I654 HydrophobicContact CB-CG2 4.42Å; H651-I654 PolarHBondContact O-N 3.5Å; H651-N656 PolarHBondContact N-OD1 3.33Å; H651-N656 PolarHBondContact O-ND2 3.5Å; H651-N656 PolarHBondContact O-OD1 2.92Å; H651-F783 HydrophobicContact CB-CB 4.44Å; H651-F783 HydrophobicContact CB-CD1 3.56Å; H651-F783 HydrophobicContact CB-CD2 4Å; H651-F783 HydrophobicContact CB-CE1 3.68Å; H651-F783 HydrophobicContact CB-CE2 4.08Å; H651-F783 HydrophobicContact CB-CG 3.72Å; H651-F783 HydrophobicContact CB-CZ 3.91Å; H651-F783 AromaticContact CD2-CD2 3.6Å; H651-F783 AromaticContact CD2-CG 3.57Å; H651-F783 AromaticContact CG-CD1 3.84Å; H651-F783 AromaticContact CG-CD2 3.94Å; H651-F783 AromaticContact CG-CG 3.56Å
652	M	93.6	Very high	92.2	Very high	28 Å²	28	21.6 Å²	21.6	14%	0.138	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-40.3	-177.7	176.2	151.1	-71.5	0	0	112.8	I806 K808 Y937 L940 A941	M652-I806 HydrophobicContact CG-CG2 4.06Å; M652-K808 VanDerWaalsContact O-CD 3.25Å; M652-K808 WeakPolarHBondContact O-CD 3.12Å; M652-K808 WeakPolarHBondContact O-CE 3.43Å; M652-K808 PolarHBondContact O-NZ 3.46Å; M652-Y937 HydrophobicContact CG-CE2 4.32Å; M652-Y937 HydrophobicContact SD-CE2 3.87Å; M652-L940 WeakPolarHBondContact CE-O 3.3Å; M652-A941 HydrophobicContact CE-CB 4.29Å; M652-A941 HydrophobicContact SD-CB 4.18Å
653	N	96.4	Very high	92.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	22.6	-173.1	-57.5	110.2	0	0	0	115.5	H651 Q776 T807 I809 Y937	H651-N653 VanDerWaalsContact C-N 3.25Å; H651-N653 PolarHBondContact ND1-N 3.36Å; H651-N653 PolarHBondContact O-N 3.02Å; N653-Q776 WeakPolarHBondContact CB-O 3.45Å; N653-Q776 WeakPolarHBondContact ND2-CB 3.31Å; N653-Q776 PolarHBondContact ND2-OE1 3.49Å; N653-Q776 VanDerWaalsContact ND2-OE1 3.16Å; N653-Q776 PolarHBondContact OD1-O 2.9Å; N653-T807 WeakPolarHBondContact CA-O 3.33Å; N653-T807 PolarHBondContact ND2-O 3.04Å; N653-I809 WeakPolarHBondContact O-CG1 3.16Å; N653-I809 PolarHBondContact O-N 3.36Å; N653-Y937 PolarHBondContact OD1-OH 2.9Å
654	I	94.5	Very high	91.8	Very high	1 Å²	1	29 Å²	29	1%	0.005	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-121.7	154.4	163.7	74.6	-175	0	0	0	108.1	H651 N656 F783 L784 K808 I809	H651-I654 HydrophobicContact CB-CD1 3.86Å; H651-I654 HydrophobicContact CB-CG1 3.88Å; H651-I654 HydrophobicContact CB-CG2 4.42Å; H651-I654 PolarHBondContact O-N 3.5Å; I654-N656 PolarHBondContact O-N 3.1Å; I654-N656 VanDerWaalsContact O-N 3.16Å; I654-N656 PolarHBondContact O-ND2 3.22Å; I654-F783 HydrophobicContact CD1-CD1 3.98Å; I654-F783 HydrophobicContact CD1-CE1 3.52Å; I654-F783 HydrophobicContact CD1-CZ 4.48Å; I654-F783 HydrophobicContact CG2-CD1 4.3Å; I654-L784 HydrophobicContact CG2-CD2 4.18Å; I654-L784 HydrophobicContact CG2-CG 4.21Å; I654-K808 VanDerWaalsContact O-CD 3.28Å; I654-K808 WeakPolarHBondContact O-CD 3.23Å; I654-I809 WeakPolarHBondContact CA-O 3.15Å; I654-I809 HydrophobicContact CG2-CB 4.4Å
655	V	93.5	Very high	91.7	Very high	6 Å²	6	30.9 Å²	30.9	4%	0.036	19%	0.191	C	C	.	.			trans	-67.3	113	171.3	171.3	0	0	0	0	108.6	T671 L800 K808 I809 C810	V655-T671 VanDerWaalsContact CG1-CB 3.48Å; V655-T671 HydrophobicContact CG1-CG2 3.93Å; V655-L800 HydrophobicContact CG2-CD1 4.23Å; V655-K808 HydrophobicContact CG2-CB 3.63Å; V655-I809 PolarHBondContact N-O 2.93Å; V655-C810 HydrophobicContact CB-CB 4.1Å; V655-C810 HydrophobicContact CG2-CB 3.6Å
656	N	93.7	Very high	91.7	Very high	12 Å²	12	34.5 Å²	34.5	6%	0.064	22%	0.216	C	C	.	.			trans	-80.2	140.9	-176.9	-62.6	-61.9	0	0	0	111.7	N650 H651 I654 T671 E672	N650-N656 WeakPolarHBondContact CA-OD1 3.34Å; N650-N656 WeakPolarHBondContact CB-OD1 3.43Å; H651-N656 PolarHBondContact N-OD1 3.33Å; H651-N656 PolarHBondContact O-ND2 3.5Å; H651-N656 PolarHBondContact O-OD1 2.92Å; I654-N656 PolarHBondContact O-N 3.1Å; I654-N656 VanDerWaalsContact O-N 3.16Å; I654-N656 PolarHBondContact O-ND2 3.22Å; N656-T671 VanDerWaalsContact O-CA 3.31Å; N656-T671 WeakPolarHBondContact O-CA 3.43Å; N656-T671 WeakPolarHBondContact O-CB 3.25Å; N656-E672 HydrophobicContact CB-CG 4.08Å; N656-E672 WeakPolarHBondContact CB-OE2 3.43Å; N656-E672 PolarHBondContact N-OE2 3.18Å; N656-E672 PolarHBondContact ND2-OE2 2.78Å; N656-E672 PolarHBondContact O-N 3.27Å
657	L	93.9	Very high	91.7	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.016	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	127.7	166.7	-177.7	66.5	0	0	0	108.8	W583 L642 L645 G659 V669	W583-L657 HydrophobicContact CB-CD2 4.38Å; W583-L657 HydrophobicContact CD2-CD2 3.6Å; W583-L657 HydrophobicContact CD2-CG 4.09Å; W583-L657 HydrophobicContact CE3-CD2 4Å; W583-L657 HydrophobicContact CE3-CG 3.94Å; W583-L657 HydrophobicContact CG-CD2 3.78Å; W583-L657 HydrophobicContact CH2-CB 4.47Å; W583-L657 WeakPolarHBondContact CH2-O 3.14Å; W583-L657 HydrophobicContact CZ2-CD2 4.28Å; W583-L657 HydrophobicContact CZ3-CB 4.42Å; W583-L657 HydrophobicContact CZ3-CD2 4.48Å; W583-L657 HydrophobicContact CZ3-CG 4.2Å; W583-L657 WeakPolarHBondContact CZ3-O 3.25Å; L642-L657 HydrophobicContact CD1-CD1 3.62Å; L642-L657 HydrophobicContact CD1-CD2 3.71Å; L642-L657 HydrophobicContact CD1-CG 4.34Å; L645-L657 HydrophobicContact CB-CB 4.07Å; L645-L657 HydrophobicContact CB-CD2 4.4Å; L657-G659 VanDerWaalsContact CD1-O 3.31Å; L657-G659 WeakPolarHBondContact CD1-O 3.49Å; L657-V669 HydrophobicContact CD1-CG1 3.74Å
658	L	93.5	Very high	92	Very high	38 Å²	38	30.2 Å²	30.2	20%	0.199	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-29.1	175.1	-60.9	-179.2	0	0	0	111.5	L612 M619 V621 I670 E672	L612-L658 HydrophobicContact CD2-CB 3.7Å; L612-L658 HydrophobicContact CD2-CD1 3.92Å; L612-L658 HydrophobicContact CD2-CG 4.35Å; M619-L658 HydrophobicContact CE-CD1 3.79Å; M619-L658 HydrophobicContact SD-CD1 4.08Å; V621-L658 HydrophobicContact CG1-CD1 3.7Å; L658-I670 HydrophobicContact CB-CG2 4.35Å; L658-I670 PolarHBondContact N-O 3.07Å; L658-E672 HydrophobicContact CD1-CG 4.09Å; L658-E672 HydrophobicContact CD2-CG 3.98Å; L658-E672 HydrophobicContact CG-CG 4.14Å
659	G	93.3	Very high	92.2	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.3	-176.8	176.3	0	0	0	0	0	112	W583 L657 I670	W583-G659 CarbonylContact O-C 3.59Å; W583-G659 WeakPolarHBondContact O-CA 3.15Å; L657-G659 VanDerWaalsContact CD1-O 3.31Å; L657-G659 WeakPolarHBondContact CD1-O 3.49Å; G659-I670 PolarHBondContact N-O 2.88Å; G659-I670 WeakPolarHBondContact O-CA 3.13Å; G659-I670 VanDerWaalsContact O-CB 3.26Å; G659-I670 WeakPolarHBondContact O-CB 3.29Å; G659-I670 PolarHBondContact O-N 2.87Å
660	A	95.6	Very high	92.5	Very high	0 Å²	0	29 Å²	29	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	150.7	176	0	0	0	0	0	111.2	W583 E584 F585 L642 T662 L668	W583-A660 PolarHBondContact O-N 3.1Å; E584-A660 CarbonylContact C-O 3.58Å; E584-A660 VanDerWaalsContact CA-O 3.32Å; E584-A660 WeakPolarHBondContact CA-O 3.39Å; F585-A660 PolarHBondContact N-O 3.43Å; L642-A660 HydrophobicContact CD1-CB 3.6Å; L642-A660 HydrophobicContact CD2-CB 3.62Å; L642-A660 HydrophobicContact CG-CB 4.28Å; A660-T662 HydrophobicContact CB-CG2 4.23Å; A660-L668 CarbonylContact C-O 3.59Å; A660-L668 WeakPolarHBondContact CA-O 3.47Å; A660-L668 WeakPolarHBondContact CB-O 3.27Å
661	C	94.9	Very high	92.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	99.3	167.7	-52.8	0	0	0	0	108.2	F585 R587 T667 L668	F585-C661 PolarHBondContact O-SG 2.77Å; R587-C661 HydrophobicContact CB-CB 4.35Å; R587-C661 PolarHBondContact NH2-O 3.03Å; C661-T667 WeakPolarHBondContact O-CA 3.38Å; C661-L668 HydrophobicContact CB-CB 3.97Å; C661-L668 HydrophobicContact CB-CD1 3.98Å; C661-L668 HydrophobicContact CB-CG 4.12Å; C661-L668 PolarHBondContact N-O 2.93Å; C661-L668 PolarHBondContact O-N 3.47Å
662	T	92.8	Very high	92.5	Very high	34 Å²	34	25.3 Å²	25.3	21%	0.209	17%	0.169	C	C	.	.			trans	-99.8	-20.5	178	74.4	0	0	0	0	112	Y579 E584 M639 L642 A660 T667	Y579-T662 HydrophobicContact CE1-CG2 3.91Å; Y579-T662 HydrophobicContact CE2-CG2 4.32Å; E584-T662 PolarHBondContact OE1-N 3.16Å; E584-T662 WeakPolarHBondContact OE2-CB 3.41Å; E584-T662 PolarHBondContact OE2-N 3.31Å; E584-T662 PolarHBondContact OE2-OG1 2.93Å; M639-T662 HydrophobicContact CE-CG2 4.36Å; M639-T662 HydrophobicContact SD-CG2 4.42Å; L642-T662 HydrophobicContact CD2-CG2 3.71Å; A660-T662 HydrophobicContact CB-CG2 4.23Å; T662-T667 HydrophobicContact CG2-CG2 4.37Å
663	I	89.2	Confident	92.4	Very high	110 Å²	110	26 Å²	26	56%	0.564	17%	0.17	S	C	*	.	S	Bend	trans	-95.5	146.6	-178.1	-54.8	173.5	0	0	0	111	E584 R587 G665	E584-I663 HydrophobicContact CG-CD1 4.1Å; E584-I663 HydrophobicContact CG-CG1 4.49Å; E584-I663 PolarHBondContact OE1-N 2.98Å; R587-I663 PolarHBondContact NH2-O 2.88Å; I663-G665 VanDerWaalsContact C-N 3.32Å; I663-G665 PolarHBondContact O-N 3.08Å
664	G	82.1	Confident	92.2	Very high	80 Å²	80	26.2 Å²	26.2	83%	0.825	17%	0.172	S	C	*	.	S	Bend	trans	69.4	18.1	167	0	0	0	0	0	116.2
665	G	86.8	Confident	91.9	Very high	40 Å²	40	26.7 Å²	26.7	41%	0.412	18%	0.175	S	C	.	.	S	Bend	trans	171.5	-169.6	179.4	0	0	0	0	0	112.5	I663	I663-G665 VanDerWaalsContact C-N 3.32Å; I663-G665 PolarHBondContact O-N 3.08Å
666	P	89.1	Confident	91.7	Very high	91 Å²	91	26.6 Å²	26.6	59%	0.591	17%	0.174	S	C	*	.	S	Bend	trans	-62.7	145.8	174.8	27.7	-34.2	0	0	0	110.6	R587 L668	R587-P666 PolarHBondContact NH1-O 2.88Å; R587-P666 PolarHBondContact NH2-O 3.09Å; P666-L668 PolarHBondContact O-N 2.83Å
667	T	90.8	Very high	91.5	Very high	33 Å²	33	26.2 Å²	26.2	20%	0.202	17%	0.172	C	C	.	.			trans	-58.3	124.9	175.9	-54	0	0	0	0	110.2	L638 M639 L642 C661 T662	L638-T667 HydrophobicContact CD2-CG2 4.19Å; L638-T667 HydrophobicContact CG-CG2 4.41Å; M639-T667 HydrophobicContact SD-CG2 4.43Å; L642-T667 HydrophobicContact CD2-CG2 4.43Å; C661-T667 WeakPolarHBondContact O-CA 3.38Å; T662-T667 HydrophobicContact CG2-CG2 4.37Å
668	L	94	Very high	91.4	Very high	3 Å²	3	26 Å²	26	2%	0.016	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.3	173.3	-54.9	179.3	0	0	0	108.4	R587 L590 F592 V623 M625 A660 C661 P666	R587-L668 HydrophobicContact CG-CD1 4.38Å; R587-L668 VanDerWaalsContact NH1-CG 3.33Å; L590-L668 HydrophobicContact CD2-CD1 3.84Å; F592-L668 HydrophobicContact CE1-CD1 4.44Å; F592-L668 HydrophobicContact CZ-CD1 3.68Å; F592-L668 HydrophobicContact CZ-CD2 4.25Å; V623-L668 HydrophobicContact CG1-CB 3.8Å; V623-L668 HydrophobicContact CG1-CD1 4.46Å; V623-L668 HydrophobicContact CG1-CD2 4.2Å; V623-L668 HydrophobicContact CG1-CG 4.37Å; M625-L668 HydrophobicContact CB-CD2 3.72Å; M625-L668 HydrophobicContact CE-CD2 4.09Å; M625-L668 HydrophobicContact SD-CD2 4.45Å; A660-L668 CarbonylContact C-O 3.59Å; A660-L668 WeakPolarHBondContact CA-O 3.47Å; A660-L668 WeakPolarHBondContact CB-O 3.27Å; C661-L668 HydrophobicContact CB-CB 3.97Å; C661-L668 HydrophobicContact CB-CD1 3.98Å; C661-L668 HydrophobicContact CB-CG 4.12Å; C661-L668 PolarHBondContact N-O 2.93Å; C661-L668 PolarHBondContact O-N 3.47Å; P666-L668 PolarHBondContact O-N 2.83Å
669	V	93.6	Very high	91.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	120	173	-177.8	0	0	0	0	107.8	V623 K624 L638 L642 L645 L657 T671	V623-V669 CarbonylContact C-O 3.56Å; V623-V669 WeakPolarHBondContact CA-O 3.32Å; K624-V669 HydrophobicContact CB-CB 4.27Å; K624-V669 PolarHBondContact N-O 3.39Å; K624-V669 PolarHBondContact O-N 3.37Å; L638-V669 HydrophobicContact CD1-CG2 3.71Å; L638-V669 HydrophobicContact CG-CG2 4.09Å; L642-V669 HydrophobicContact CB-CG2 3.97Å; L642-V669 HydrophobicContact CD1-CG1 4.29Å; L642-V669 HydrophobicContact CD1-CG2 4.37Å; L645-V669 HydrophobicContact CD1-CG1 4.34Å; L657-V669 HydrophobicContact CD1-CG1 3.74Å; V669-T671 HydrophobicContact CG1-CG2 4.08Å
670	I	94.6	Very high	91.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	118.9	-175.4	-50.6	171.7	0	0	0	108.3	F585 L590 V621 V623 L658 G659	F585-I670 HydrophobicContact CB-CD1 3.83Å; F585-I670 HydrophobicContact CD1-CD1 3.59Å; F585-I670 HydrophobicContact CE1-CD1 4.44Å; F585-I670 HydrophobicContact CG-CD1 3.93Å; L590-I670 HydrophobicContact CD1-CD1 4.14Å; L590-I670 HydrophobicContact CD2-CD1 4.09Å; L590-I670 HydrophobicContact CD2-CG1 4.29Å; V621-I670 HydrophobicContact CB-CG2 3.67Å; V621-I670 HydrophobicContact CG1-CG2 3.97Å; V621-I670 HydrophobicContact CG2-CG2 3.61Å; V623-I670 HydrophobicContact CG2-CG1 4.42Å; L658-I670 HydrophobicContact CB-CG2 4.35Å; L658-I670 PolarHBondContact N-O 3.07Å; G659-I670 PolarHBondContact N-O 2.88Å; G659-I670 WeakPolarHBondContact O-CA 3.13Å; G659-I670 VanDerWaalsContact O-CB 3.26Å; G659-I670 WeakPolarHBondContact O-CB 3.29Å; G659-I670 PolarHBondContact O-N 2.87Å
671	T	94	Very high	91.3	Very high	8 Å²	8	25.4 Å²	25.4	5%	0.049	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	170.4	-177.9	66.7	0	0	0	0	111.6	V621 A622 V655 N656 V669	V621-T671 WeakPolarHBondContact CB-O 3.18Å; A622-T671 PolarHBondContact N-O 3.15Å; A622-T671 PolarHBondContact O-N 2.96Å; V655-T671 VanDerWaalsContact CG1-CB 3.48Å; V655-T671 HydrophobicContact CG1-CG2 3.93Å; N656-T671 VanDerWaalsContact O-CA 3.31Å; N656-T671 WeakPolarHBondContact O-CA 3.43Å; N656-T671 WeakPolarHBondContact O-CB 3.25Å; V669-T671 HydrophobicContact CG1-CG2 4.08Å
672	E	92	Very high	91.2	Very high	44 Å²	44	25.4 Å²	25.4	21%	0.206	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	141.1	170.5	-64.2	179.7	118.3	0	0	111.7	N656 L658 K808	N656-E672 HydrophobicContact CB-CG 4.08Å; N656-E672 WeakPolarHBondContact CB-OE2 3.43Å; N656-E672 PolarHBondContact N-OE2 3.18Å; N656-E672 PolarHBondContact ND2-OE2 2.78Å; N656-E672 PolarHBondContact O-N 3.27Å; L658-E672 HydrophobicContact CD1-CG 4.09Å; L658-E672 HydrophobicContact CD2-CG 3.98Å; L658-E672 HydrophobicContact CG-CG 4.14Å; E672-K808 IonicContact OE1-NZ 3.47Å; E672-K808 PolarHBondContact OE1-NZ 2.89Å; E672-K808 IonicContact OE2-NZ 3.65Å; E672-K808 PolarHBondContact OE2-NZ 3Å
673	Y	92.1	Very high	91.2	Very high	41 Å²	41	23.8 Å²	23.8	16%	0.161	16%	0.158	C	C	.	.			trans	-85.8	126.9	174.1	175.4	-115.2	0	0	0	110.7	L596 E606 T620 C675 G728	L596-Y673 HydrophobicContact CD1-CD2 3.78Å; L596-Y673 HydrophobicContact CD1-CE2 3.61Å; L596-Y673 HydrophobicContact CD2-CE2 3.79Å; L596-Y673 HydrophobicContact CG-CE2 4.36Å; E606-Y673 HydrophobicContact CG-CE2 4.32Å; T620-Y673 HydrophobicContact CG2-CD1 3.67Å; T620-Y673 HydrophobicContact CG2-CD2 4.44Å; T620-Y673 HydrophobicContact CG2-CE1 4.17Å; T620-Y673 HydrophobicContact CG2-CG 3.8Å; Y673-C675 HydrophobicContact CD1-CB 4.33Å; Y673-C675 HydrophobicContact CE1-CB 3.72Å; Y673-G728 WeakPolarHBondContact OH-CA 3.49Å; Y673-G728 PolarHBondContact OH-N 2.85Å
674	C	92.2	Very high	91.4	Very high	6 Å²	6	22.3 Å²	22.3	4%	0.041	15%	0.146	C	C	.	.			trans	-107.6	100.9	178.1	-54.5	0	0	0	0	109.8	Y676 G677 L800 L801 T802	C674-Y676 VanDerWaalsContact C-N 3.3Å; C674-Y676 PolarHBondContact O-N 3.4Å; C674-G677 PolarHBondContact O-N 3.49Å; C674-L800 HydrophobicContact CB-CB 3.55Å; C674-L800 HydrophobicContact CB-CD1 3.74Å; C674-L800 HydrophobicContact CB-CG 4.29Å; C674-L800 VanDerWaalsContact SG-CB 3.55Å; C674-L801 CarbonylContact C-O 3.53Å; C674-L801 WeakPolarHBondContact CB-O 3.28Å; C674-T802 HydrophobicContact CB-CG2 4.03Å
675	C	88.7	Confident	91.9	Very high	10 Å²	10	23.9 Å²	23.9	7%	0.068	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-23.9	-165.8	55.2	0	0	0	0	115.6	Y673 G728 I757 L801 H803	Y673-C675 HydrophobicContact CD1-CB 4.33Å; Y673-C675 HydrophobicContact CE1-CB 3.72Å; C675-G728 PolarHBondContact O-N 3.48Å; C675-I757 HydrophobicContact CB-CD1 4.27Å; C675-L801 PolarHBondContact N-O 3.01Å; C675-H803 PolarHBondContact SG-N 2.87Å
676	Y	89.2	Confident	92	Very high	5 Å²	5	22.8 Å²	22.8	2%	0.02	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-0.9	-178	-62.7	-54.8	0	0	0	114	C674 F682 R685 I757 D760 D761 L801 T802	C674-Y676 VanDerWaalsContact C-N 3.3Å; C674-Y676 PolarHBondContact O-N 3.4Å; Y676-F682 HydrophobicContact CD1-CE2 4.38Å; Y676-F682 HydrophobicContact CG-CD2 4.41Å; Y676-F682 HydrophobicContact CG-CE2 4.26Å; Y676-R685 PolarHBondContact O-NH2 2.97Å; Y676-I757 HydrophobicContact CE1-CG2 4.12Å; Y676-I757 PolarHBondContact OH-O 2.92Å; Y676-D760 WeakPolarHBondContact OH-CB 3.4Å; Y676-D760 PolarHBondContact OH-OD2 3.18Å; Y676-D761 HydrophobicContact CD1-CB 4.28Å; Y676-D761 HydrophobicContact CE1-CB 3.63Å; Y676-L801 HydrophobicContact CD2-CD2 3.94Å; Y676-L801 HydrophobicContact CD2-CG 4.06Å; Y676-L801 HydrophobicContact CG-CD2 4.26Å; Y676-L801 PolarHBondContact N-O 3.09Å; Y676-L801 VanDerWaalsContact N-O 3.09Å; Y676-T802 VanDerWaalsContact CD2-O 3.24Å; Y676-T802 WeakPolarHBondContact CD2-O 3.29Å; Y676-T802 VanDerWaalsContact CE2-O 3.31Å; Y676-T802 WeakPolarHBondContact CE2-O 3.27Å
677	G	90.2	Very high	92.1	Very high	3 Å²	3	23.7 Å²	23.7	3%	0.031	10%	0.102	C	C	.	.			trans	77.1	-151.6	-177.9	0	0	0	0	0	112.2	C674 L800 L801	C674-G677 PolarHBondContact O-N 3.49Å; G677-L800 CarbonylContact O-C 3.49Å; G677-L800 VanDerWaalsContact O-CA 3.32Å; G677-L800 WeakPolarHBondContact O-CA 3.33Å; G677-L801 PolarHBondContact O-N 3.27Å
678	D	91.6	Very high	91.7	Very high	0 Å²	0	30 Å²	30	0%	0	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-80.6	149.1	176.6	68.5	87.8	0	0	0	112.5	L680 N681 F682 I799 L800	D678-L680 VanDerWaalsContact C-N 3.31Å; D678-L680 PolarHBondContact O-N 3.49Å; D678-L680 WeakPolarHBondContact OD1-CB 3.36Å; D678-L680 PolarHBondContact OD1-N 3.11Å; D678-N681 PolarHBondContact O-N 3.49Å; D678-N681 WeakPolarHBondContact OD1-CB 3.44Å; D678-N681 PolarHBondContact OD1-N 3.08Å; D678-N681 PolarHBondContact OD1-ND2 2.96Å; D678-N681 PolarHBondContact OD2-ND2 3.42Å; D678-F682 PolarHBondContact O-N 3.27Å; D678-I799 CarbonylContact C-O 3.41Å; D678-I799 VanDerWaalsContact CA-O 3.32Å; D678-I799 WeakPolarHBondContact CA-O 3.49Å; D678-L800 HydrophobicContact CB-CD2 3.92Å
679	L	94.4	Very high	91.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-67	-32.6	-174.6	-176.4	56.7	0	0	0	111.8	F682 L683 F773 I799 F859 L863	L679-F682 HydrophobicContact CD1-CD1 4.14Å; L679-F682 PolarHBondContact O-N 3.44Å; L679-L683 HydrophobicContact CD1-CD1 4.49Å; L679-L683 HydrophobicContact CD1-CG 4.15Å; L679-L683 HydrophobicContact CG-CD1 4.15Å; L679-L683 HydrophobicContact CG-CG 4.31Å; L679-L683 WeakPolarHBondContact O-CB 3.15Å; L679-L683 WeakPolarHBondContact O-CG 3.36Å; L679-L683 PolarHBondContact O-N 3.11Å; L679-F773 HydrophobicContact CD1-CD2 3.8Å; L679-F773 HydrophobicContact CD1-CE2 3.85Å; L679-F773 HydrophobicContact CD1-CG 4.39Å; L679-F773 HydrophobicContact CD2-CB 4.36Å; L679-F773 HydrophobicContact CD2-CD2 4.46Å; L679-F773 HydrophobicContact CD2-CG 4.49Å; L679-I799 HydrophobicContact CB-CB 3.93Å; L679-I799 HydrophobicContact CB-CG2 4.09Å; L679-I799 WeakPolarHBondContact CB-O 3.2Å; L679-I799 HydrophobicContact CD2-CB 4.12Å; L679-I799 HydrophobicContact CD2-CG2 3.8Å; L679-I799 PolarHBondContact N-O 2.99Å; L679-F859 HydrophobicContact CD2-CE2 3.87Å; L679-F859 HydrophobicContact CD2-CZ 4.01Å; L679-L863 HydrophobicContact CD2-CD1 3.99Å; L679-L863 HydrophobicContact CG-CD1 4.44Å
680	L	93.6	Very high	90.8	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-58.9	-50.2	176.6	176.6	63.6	0	0	0	111.3	D678 L683 R684 A796 R797 G867	D678-L680 VanDerWaalsContact C-N 3.31Å; D678-L680 PolarHBondContact O-N 3.49Å; D678-L680 WeakPolarHBondContact OD1-CB 3.36Å; D678-L680 PolarHBondContact OD1-N 3.11Å; L680-L683 PolarHBondContact O-N 3.32Å; L680-R684 WeakPolarHBondContact O-CG 3.39Å; L680-R684 PolarHBondContact O-N 2.95Å; L680-R684 VanDerWaalsContact O-N 3.09Å; L680-A796 HydrophobicContact CB-CB 3.95Å; L680-A796 HydrophobicContact CD1-CB 4.43Å; L680-A796 PolarHBondContact N-O 3.47Å; L680-R797 HydrophobicContact CB-CB 4.46Å; L680-R797 HydrophobicContact CD2-CB 4.06Å; L680-G867 WeakPolarHBondContact CD1-O 3.32Å
681	N	90.9	Very high	90.2	Very high	21 Å²	21	37.3 Å²	37.3	11%	0.112	18%	0.175	C	C	.	.	H	α-helix	trans	-70.8	-35	177.8	-76.6	-37.2	0	0	0	112.6	D678 R684 R685	D678-N681 PolarHBondContact O-N 3.49Å; D678-N681 WeakPolarHBondContact OD1-CB 3.44Å; D678-N681 PolarHBondContact OD1-N 3.08Å; D678-N681 PolarHBondContact OD1-ND2 2.96Å; D678-N681 PolarHBondContact OD2-ND2 3.42Å; N681-R684 PolarHBondContact O-N 3.31Å; N681-R685 WeakPolarHBondContact O-CG 3.48Å; N681-R685 PolarHBondContact O-N 3.5Å
682	F	93.1	Very high	89	Confident	1 Å²	1	39.8 Å²	39.8	0%	0.004	19%	0.193	C	C	.	.	H	α-helix	trans	-58.9	-48.1	172.8	-177.4	-94.8	0	0	0	111.8	Y676 D678 L679 R684 R685 K686 L765 F773 L801	Y676-F682 HydrophobicContact CD1-CE2 4.38Å; Y676-F682 HydrophobicContact CG-CD2 4.41Å; Y676-F682 HydrophobicContact CG-CE2 4.26Å; D678-F682 PolarHBondContact O-N 3.27Å; L679-F682 HydrophobicContact CD1-CD1 4.14Å; L679-F682 PolarHBondContact O-N 3.44Å; F682-R684 PolarHBondContact O-N 3.09Å; F682-R685 PolarHBondContact O-N 3.26Å; F682-K686 HydrophobicContact CE1-CG 4.18Å; F682-K686 HydrophobicContact CZ-CG 4.18Å; F682-K686 WeakPolarHBondContact O-CG 3.31Å; F682-K686 PolarHBondContact O-N 3.17Å; F682-K686 VanDerWaalsContact O-N 3.08Å; F682-L765 HydrophobicContact CE1-CD1 4.11Å; F682-F773 HydrophobicContact CE1-CE2 4.24Å; F682-F773 HydrophobicContact CE1-CZ 4.2Å; F682-L801 HydrophobicContact CD1-CD2 3.81Å; F682-L801 HydrophobicContact CD2-CD2 3.84Å; F682-L801 HydrophobicContact CE1-CD2 3.76Å; F682-L801 HydrophobicContact CE2-CD2 3.82Å; F682-L801 HydrophobicContact CG-CD2 3.85Å; F682-L801 HydrophobicContact CZ-CD2 3.77Å
683	L	94.4	Very high	87.2	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.6	-47.5	176.3	-73	169.2	0	0	0	111.9	L679 L680 R685 K686 R687 L765 L770 L863 L866	L679-L683 HydrophobicContact CD1-CD1 4.49Å; L679-L683 HydrophobicContact CD1-CG 4.15Å; L679-L683 HydrophobicContact CG-CD1 4.15Å; L679-L683 HydrophobicContact CG-CG 4.31Å; L679-L683 WeakPolarHBondContact O-CB 3.15Å; L679-L683 WeakPolarHBondContact O-CG 3.36Å; L679-L683 PolarHBondContact O-N 3.11Å; L680-L683 PolarHBondContact O-N 3.32Å; L683-R685 VanDerWaalsContact C-N 3.33Å; L683-R685 PolarHBondContact O-N 2.82Å; L683-K686 CarbonylContact O-C 3.46Å; L683-K686 PolarHBondContact O-N 3.16Å; L683-K686 VanDerWaalsContact O-N 3.07Å; L683-R687 PolarHBondContact O-N 2.83Å; L683-L765 HydrophobicContact CD2-CD2 3.63Å; L683-L770 HydrophobicContact CD2-CD2 3.73Å; L683-L863 HydrophobicContact CD1-CD1 3.77Å; L683-L863 HydrophobicContact CD2-CD1 4.09Å; L683-L863 HydrophobicContact CG-CD1 4.42Å; L683-L866 HydrophobicContact CD2-CD2 4.2Å
684	R	93.3	Very high	85	Confident	79 Å²	79	45.8 Å²	45.8	30%	0.298	23%	0.229	S	C	.	.	H	α-helix	trans	-60.3	-40.5	178.2	-73.2	173.8	176.3	177.4	-1.4	112.4	L680 N681 F682 K686 G867	L680-R684 WeakPolarHBondContact O-CG 3.39Å; L680-R684 PolarHBondContact O-N 2.95Å; L680-R684 VanDerWaalsContact O-N 3.09Å; N681-R684 PolarHBondContact O-N 3.31Å; F682-R684 PolarHBondContact O-N 3.09Å; R684-K686 VanDerWaalsContact C-N 3.3Å; R684-K686 PolarHBondContact O-N 3.27Å; R684-G867 PolarHBondContact NE-O 3.29Å; R684-G867 PolarHBondContact NH2-O 3.29Å
685	R	91.4	Very high	82.2	Confident	112 Å²	112	53 Å²	53	42%	0.423	26%	0.262	S	S	.	.	H	α-helix	trans	-65.1	-32.1	174.7	-74.8	-168.7	-62.4	134	-2.2	112.7	Y676 N681 F682 L683 D761	Y676-R685 PolarHBondContact O-NH2 2.97Å; N681-R685 WeakPolarHBondContact O-CG 3.48Å; N681-R685 PolarHBondContact O-N 3.5Å; F682-R685 PolarHBondContact O-N 3.26Å; L683-R685 VanDerWaalsContact C-N 3.33Å; L683-R685 PolarHBondContact O-N 2.82Å; R685-D761 IonicContact NH1-OD1 3.53Å; R685-D761 IonicContact NH1-OD2 3.64Å; R685-D761 PolarHBondContact NH1-OD2 3.37Å; R685-D761 VanDerWaalsContact NH1-OD2 3.1Å; R685-D761 IonicContact NH2-OD1 2.78Å
686	K	90	Very high	79.5	Confident	17 Å²	17	57.9 Å²	57.9	7%	0.074	28%	0.284	C	S	.	.	H	α-helix	trans	-92.3	-7.8	-176.4	-71.6	-70.6	-178.8	176.1	0	114.4	F682 L683 R684 D688 S689 F690 D761 L763 L765	F682-K686 HydrophobicContact CE1-CG 4.18Å; F682-K686 HydrophobicContact CZ-CG 4.18Å; F682-K686 WeakPolarHBondContact O-CG 3.31Å; F682-K686 PolarHBondContact O-N 3.17Å; F682-K686 VanDerWaalsContact O-N 3.08Å; L683-K686 CarbonylContact O-C 3.46Å; L683-K686 PolarHBondContact O-N 3.16Å; L683-K686 VanDerWaalsContact O-N 3.07Å; R684-K686 VanDerWaalsContact C-N 3.3Å; R684-K686 PolarHBondContact O-N 3.27Å; K686-D688 VanDerWaalsContact C-N 3.34Å; K686-D688 PolarHBondContact O-N 2.88Å; K686-S689 CarbonylContact O-C 3.53Å; K686-S689 PolarHBondContact O-N 2.99Å; K686-S689 PolarHBondContact O-OG 2.75Å; K686-F690 PolarHBondContact O-N 3.38Å; K686-F690 VanDerWaalsContact O-N 3.15Å; K686-D761 VanDerWaalsContact CE-O 3.3Å; K686-D761 WeakPolarHBondContact CE-O 3.27Å; K686-D761 PolarHBondContact NZ-O 3.12Å; K686-L763 PolarHBondContact NZ-O 3.28Å; K686-L765 HydrophobicContact CB-CB 3.97Å; K686-L765 HydrophobicContact CB-CD2 4.08Å; K686-L765 HydrophobicContact CG-CB 4.39Å
687	R	89.5	Confident	76.9	Confident	110 Å²	110	64.7 Å²	64.7	42%	0.415	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-50	-47.7	-174.5	-170	178	-169.3	147.3	7.8	113.5	L683 S689 F690 L866 S868	L683-R687 PolarHBondContact O-N 2.83Å; R687-S689 VanDerWaalsContact C-N 3.28Å; R687-S689 PolarHBondContact O-N 3.27Å; R687-F690 WeakPolarHBondContact O-CB 3.35Å; R687-F690 PolarHBondContact O-N 3.5Å; R687-L866 HydrophobicContact CB-CB 4.44Å; R687-L866 HydrophobicContact CG-CB 4.07Å; R687-L866 HydrophobicContact CG-CD1 4.1Å; R687-S868 PolarHBondContact NH1-OG 3.1Å; R687-S868 PolarHBondContact NH2-OG 3.39Å
688	D	83.2	Confident	74.3	Confident	165 Å²	165	70.7 Å²	70.7	88%	0.882	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-75.2	-18.1	-177.3	-59.4	-28	0	0	0	113.5	K686	K686-D688 VanDerWaalsContact C-N 3.34Å; K686-D688 PolarHBondContact O-N 2.88Å
689	S	83.9	Confident	71.5	Confident	50 Å²	50	74.9 Å²	74.9	35%	0.35	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-99.8	4.2	178.7	65.8	0	0	0	0	113.5	K686 R687 I691 A764	K686-S689 CarbonylContact O-C 3.53Å; K686-S689 PolarHBondContact O-N 2.99Å; K686-S689 PolarHBondContact O-OG 2.75Å; R687-S689 VanDerWaalsContact C-N 3.28Å; R687-S689 PolarHBondContact O-N 3.27Å; S689-I691 PolarHBondContact O-N 3.16Å; S689-A764 WeakPolarHBondContact O-CB 3.39Å
690	F	85.5	Confident	68.8	Low	28 Å²	28	83.1 Å²	83.1	12%	0.123	42%	0.421	C	S	.	.			trans	-69.7	129.1	-175.5	-178.9	-104.8	0	0	0	111.6	K686 R687 C692 L765 D766 L770 L866 H895	K686-F690 PolarHBondContact O-N 3.38Å; K686-F690 VanDerWaalsContact O-N 3.15Å; R687-F690 WeakPolarHBondContact O-CB 3.35Å; R687-F690 PolarHBondContact O-N 3.5Å; F690-C692 HydrophobicContact CD1-CB 4.45Å; F690-C692 HydrophobicContact CE1-CB 4.03Å; F690-L765 CarbonylContact C-O 3.58Å; F690-L765 VanDerWaalsContact CA-O 3.31Å; F690-L765 WeakPolarHBondContact CA-O 3.42Å; F690-L765 HydrophobicContact CD2-CB 4.08Å; F690-L765 HydrophobicContact CD2-CD2 4.13Å; F690-L765 HydrophobicContact CD2-CG 4.01Å; F690-L765 WeakPolarHBondContact CD2-O 3.32Å; F690-L765 HydrophobicContact CE2-CG 4.37Å; F690-D766 VanDerWaalsContact CE2-C 3.46Å; F690-D766 WeakPolarHBondContact CE2-O 3.41Å; F690-L770 HydrophobicContact CE2-CD1 3.63Å; F690-L770 HydrophobicContact CE2-CG 3.97Å; F690-L770 HydrophobicContact CZ-CD1 3.7Å; F690-L770 HydrophobicContact CZ-CG 4.46Å; F690-L866 HydrophobicContact CB-CD1 3.74Å; F690-L866 HydrophobicContact CD1-CD1 3.82Å; F690-L866 HydrophobicContact CD2-CD1 4.27Å; F690-L866 HydrophobicContact CD2-CD2 3.84Å; F690-L866 HydrophobicContact CE2-CD2 4.13Å; F690-L866 HydrophobicContact CG-CD1 3.67Å; F690-L866 HydrophobicContact CG-CD2 4.12Å; F690-H895 HydrophobicContact CE1-CB 3.93Å; F690-H895 AromaticContact CE1-CG 3.58Å; F690-H895 AromaticContact CE1-ND1 3.69Å; F690-H895 HydrophobicContact CZ-CB 4.19Å
691	I	81.4	Confident	66.2	Low	79 Å²	79	86.6 Å²	86.6	41%	0.405	44%	0.442	S	S	.	.	B	Isolated β-bridge	trans	-103.3	104.7	-179.4	-56.9	175.1	0	0	0	109.1	S689 S693 A764 L765	S689-I691 PolarHBondContact O-N 3.16Å; I691-S693 PolarHBondContact O-N 3.24Å; I691-A764 HydrophobicContact CD1-CB 3.61Å; I691-A764 HydrophobicContact CG1-CB 4.04Å; I691-L765 PolarHBondContact N-O 3.02Å
692	C	67.7	Low	63.8	Low	61 Å²	61	87.9 Å²	87.9	41%	0.412	46%	0.456	S	S	.	.			trans	-83.8	110.7	174.2	-171.6	0	0	0	0	110.5	F690 K694	F690-C692 HydrophobicContact CD1-CB 4.45Å; F690-C692 HydrophobicContact CE1-CB 4.03Å; C692-K694 PolarHBondContact O-N 3.4Å
693	S	55.2	Low	61.2	Low	81 Å²	81	94.3 Å²	94.3	57%	0.566	49%	0.489	S	S	*	.			trans	-70.1	6.7	-177.5	-25.8	0	0	0	0	114.5	I691 Q695	I691-S693 PolarHBondContact O-N 3.24Å; S693-Q695 VanDerWaalsContact C-N 3.34Å; S693-Q695 PolarHBondContact O-N 2.94Å
694	K	45.7	Very low	58.5	Low	130 Å²	130	102.6 Å²	102.6	57%	0.565	52%	0.522	S	S	*	.			trans	-92.9	52.8	-179.3	-66	-173.3	178.7	176.9	0	112.5	C692	C692-K694 PolarHBondContact O-N 3.4Å
695	Q	34.3	Very low	56	Low	158 Å²	158	106.2 Å²	106.2	74%	0.738	54%	0.54	S	S	*	.			trans	-160.1	93.4	154.8	-143	164.3	9.7	0	0	109	S693 D697	S693-Q695 VanDerWaalsContact C-N 3.34Å; S693-Q695 PolarHBondContact O-N 2.94Å; Q695-D697 PolarHBondContact O-N 3.34Å
696	E	31	Very low	53.4	Low	112 Å²	112	107.1 Å²	107.1	52%	0.523	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.3	88.5	161.4	-75.7	-179.4	149.3	0	0	107.5
697	D	34.5	Very low	51.1	Low	147 Å²	147	113.1 Å²	113.1	79%	0.786	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-176.2	-1.9	155.9	-94.4	-20.5	0	0	0	115.1	Q695	Q695-D697 PolarHBondContact O-N 3.34Å
698	H	35.5	Very low	48.6	Very low	130 Å²	130	114.5 Å²	114.5	60%	0.602	60%	0.6	S	S	*	*			trans	-135.3	16.3	-179.7	-76.5	-52.1	0	0	0	117.4	E700 V701 A702	H698-E700 VanDerWaalsContact C-N 3.26Å; H698-E700 PolarHBondContact O-N 3.24Å; H698-E700 VanDerWaalsContact O-N 3.17Å; H698-V701 PolarHBondContact O-N 3.03Å; H698-A702 PolarHBondContact O-N 3.45Å
699	A	34	Very low	46.3	Very low	88 Å²	88	115.3 Å²	115.3	73%	0.727	60%	0.598	S	S	*	*	H	α-helix	trans	-60.4	-27	-177.2	0	0	0	0	0	114.9
700	E	37.5	Very low	43.6	Very low	172 Å²	172	118.6 Å²	118.6	80%	0.804	62%	0.621	S	S	*	*	H	α-helix	trans	-80	-16.9	175.1	-72	-171.9	156.4	0	0	113.8	H698	H698-E700 VanDerWaalsContact C-N 3.26Å; H698-E700 PolarHBondContact O-N 3.24Å; H698-E700 VanDerWaalsContact O-N 3.17Å
701	V	38.8	Very low	40.9	Very low	78 Å²	78	125.7 Å²	125.7	47%	0.473	65%	0.651	S	S	.	*	H	α-helix	trans	-90.5	-28.2	-179.3	-177.5	0	0	0	0	111.6	H698 K705	H698-V701 PolarHBondContact O-N 3.03Å; V701-K705 PolarHBondContact O-N 3.3Å
702	A	39.1	Very low	38.3	Very low	48 Å²	48	130.4 Å²	130.4	40%	0.397	67%	0.672	S	S	.	*	H	α-helix	trans	-70.5	-31.6	176.3	0	0	0	0	0	112.7	H698 Y704 K705	H698-A702 PolarHBondContact O-N 3.45Å; A702-Y704 VanDerWaalsContact C-N 3.25Å; A702-Y704 PolarHBondContact O-N 3.41Å; A702-K705 PolarHBondContact O-N 2.84Å
703	L	40	Very low	36.4	Very low	136 Å²	136	133.4 Å²	133.4	71%	0.712	69%	0.693	S	S	*	*	H	α-helix	trans	-68.4	-20.9	179.4	-153.6	76.4	0	0	0	113.3
704	Y	37.9	Very low	35	Very low	173 Å²	173	134.6 Å²	134.6	68%	0.678	70%	0.702	S	S	*	*	H	α-helix	trans	-102.2	-15.3	177.8	-77.5	-83.1	0	0	0	114.5	A702 N706	A702-Y704 VanDerWaalsContact C-N 3.25Å; A702-Y704 PolarHBondContact O-N 3.41Å; Y704-N706 VanDerWaalsContact C-N 3.29Å; Y704-N706 PolarHBondContact O-N 3.39Å
705	K	40.7	Very low	34	Very low	156 Å²	156	134.6 Å²	134.6	68%	0.678	72%	0.717	S	S	*	*	H	α-helix	trans	-71.9	-22.1	176.5	-91.1	-176.7	173.4	-180	0	113.4	V701 A702 L707	V701-K705 PolarHBondContact O-N 3.3Å; A702-K705 PolarHBondContact O-N 2.84Å; K705-L707 PolarHBondContact O-N 3.02Å
706	N	36.5	Very low	33.5	Very low	130 Å²	130	135 Å²	135	70%	0.695	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-1.2	-179.5	-67.7	-24.4	0	0	0	114.8	Y704	Y704-N706 VanDerWaalsContact C-N 3.29Å; Y704-N706 PolarHBondContact O-N 3.39Å
707	L	41.6	Very low	33.4	Very low	143 Å²	143	137.1 Å²	137.1	75%	0.749	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	-1.7	178.6	-82.6	156.4	0	0	0	114	K705	K705-L707 PolarHBondContact O-N 3.02Å
708	L	37.6	Very low	33.2	Very low	139 Å²	139	134.3 Å²	134.3	73%	0.728	73%	0.731	S	S	*	*	S	Bend	trans	-132.4	0.6	-164.5	-98.8	152.1	0	0	0	117.7
709	H	33.3	Very low	32.8	Very low	183 Å²	183	134 Å²	134	85%	0.847	74%	0.739	S	S	*	*			trans	-129.1	82	176	-88.6	35.8	0	0	0	112.8
710	S	27.4	Very low	32.7	Very low	118 Å²	118	134.3 Å²	134.3	83%	0.825	73%	0.728	S	S	*	*			trans	-101.7	85.9	154.6	67.5	0	0	0	0	108.9
711	K	29.8	Very low	32.4	Very low	177 Å²	177	132.6 Å²	132.6	77%	0.77	72%	0.72	S	S	*	*			trans	-174.5	115.1	155.8	-118.1	174.1	174.8	179.3	0	112.3
712	E	26.6	Very low	32.8	Very low	178 Å²	178	130.3 Å²	130.3	83%	0.832	70%	0.703	S	S	*	*			trans	33.4	110.9	143	-66.5	171.2	150.3	0	0	118.8
713	S	28.5	Very low	33.2	Very low	124 Å²	124	134 Å²	134	87%	0.867	71%	0.713	S	S	*	*			trans	-153.4	130.5	136.5	60.6	0	0	0	0	111.2
714	S	24.1	Very low	33.6	Very low	106 Å²	106	131.6 Å²	131.6	74%	0.741	70%	0.701	S	S	*	*			trans	-81.3	137.4	-179.3	66.1	0	0	0	0	111.7
715	C	25.3	Very low	33.9	Very low	130 Å²	130	124.2 Å²	124.2	88%	0.878	67%	0.673	S	S	*	*			trans	-131	112.2	155.1	-78.5	0	0	0	0	109.5
716	N	24	Very low	33.9	Very low	166 Å²	166	123.5 Å²	123.5	89%	0.888	67%	0.67	S	S	*	*			trans	-67.7	126.2	168.6	-77.2	-29.4	0	0	0	109.5
717	D	29	Very low	34.3	Very low	157 Å²	157	119 Å²	119	84%	0.84	65%	0.648	S	S	*	*			trans	-138	150.2	145.1	-155.8	3.6	0	0	0	110.3
718	S	29.3	Very low	33.9	Very low	88 Å²	88	113.8 Å²	113.8	62%	0.615	63%	0.628	S	S	*	*			trans	-91.9	130.9	-141.6	-29.3	0	0	0	0	112.3
719	T	27.1	Very low	33.6	Very low	125 Å²	125	111 Å²	111	77%	0.767	62%	0.617	S	S	*	*			trans	49.9	83.6	149.6	62.5	0	0	0	0	118.3
720	N	33.6	Very low	33.4	Very low	94 Å²	94	107.4 Å²	107.4	50%	0.503	61%	0.612	S	S	.	*			trans	-122.1	91.3	151.9	-86.6	-43.1	0	0	0	108.2	Y722 S822	N720-Y722 VanDerWaalsContact C-N 3.29Å; N720-Y722 PolarHBondContact O-N 3.17Å; N720-S822 PolarHBondContact OD1-OG 3.08Å
721	E	30.8	Very low	33.2	Very low	136 Å²	136	110.6 Å²	110.6	64%	0.636	61%	0.608	S	S	*	*			trans	-75.8	77.5	179.7	-71.6	-171.7	170.5	0	0	111.4
722	Y	47.3	Very low	33	Very low	29 Å²	29	108.1 Å²	108.1	11%	0.114	61%	0.607	C	S	.	*	P	Polyproline II helix	trans	-96.2	142.7	159.4	177.4	-100.2	0	0	0	108.6	N720 R797 R816	N720-Y722 VanDerWaalsContact C-N 3.29Å; N720-Y722 PolarHBondContact O-N 3.17Å; Y722-R797 HydrophobicContact CE2-CB 4.29Å; Y722-R816 HydrophobicContact CE2-CG 4.25Å; Y722-R816 PolarHBondContact OH-NE 2.81Å; Y722-R816 PolarHBondContact OH-NH2 3.2Å
723	M	46.7	Very low	33	Very low	126 Å²	126	105 Å²	105	62%	0.621	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-89.5	116	176.6	-78.4	-88.6	172.9	0	0	110.4
724	D	48.3	Very low	32.8	Very low	85 Å²	85	105 Å²	105	46%	0.455	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-64	136.8	-173.3	-55	-31.6	0	0	0	113.9	K726	D724-K726 HydrophobicContact CB-CG 4.25Å; D724-K726 PolarHBondContact O-N 3.03Å
725	M	43.9	Very low	33.1	Very low	19 Å²	19	106.3 Å²	106.3	9%	0.094	60%	0.601	C	S	.	*			trans	-81.6	104.9	156.8	-100.6	-176.3	60.9	0	0	109.4	L596 L800 F812	L596-M725 VanDerWaalsContact O-CA 3.29Å; L596-M725 WeakPolarHBondContact O-CA 3.48Å; M725-L800 HydrophobicContact CE-CD1 3.81Å; M725-L800 HydrophobicContact CE-CD2 3.66Å; M725-L800 HydrophobicContact CE-CG 4.41Å; M725-L800 HydrophobicContact SD-CD2 3.95Å; M725-F812 HydrophobicContact SD-CD2 4.4Å; M725-F812 HydrophobicContact SD-CG 4.44Å
726	K	40.6	Very low	33.2	Very low	141 Å²	141	109.9 Å²	109.9	61%	0.613	60%	0.601	S	S	*	*			trans	-80.1	132.3	-172.4	-71.8	-170.2	176.3	-176.9	0	112.9	L596 D724	L596-K726 PolarHBondContact O-N 3.09Å; D724-K726 HydrophobicContact CB-CG 4.25Å; D724-K726 PolarHBondContact O-N 3.03Å
727	P	45.1	Very low	33.5	Very low	36 Å²	36	106.4 Å²	106.4	23%	0.234	60%	0.595	C	S	.	*			trans	-60	153.7	175.2	-22.6	31.8	0	0	0	114.7	K594 V729	K594-P727 PolarHBondContact NZ-O 2.78Å; P727-V729 PolarHBondContact O-N 3.11Å
728	G	34.2	Very low	33.7	Very low	32 Å²	32	104.7 Å²	104.7	33%	0.33	59%	0.586	S	S	.	*			trans	-63.7	38.6	179.8	0	0	0	0	0	119.9	Y673 C675 S730	Y673-G728 WeakPolarHBondContact OH-CA 3.49Å; Y673-G728 PolarHBondContact OH-N 2.85Å; C675-G728 PolarHBondContact O-N 3.48Å; G728-S730 PolarHBondContact O-N 3.01Å
729	V	31.9	Very low	33.9	Very low	81 Å²	81	107.7 Å²	107.7	49%	0.491	59%	0.588	S	S	.	*			trans	-79.4	108.6	-176	-166.6	0	0	0	0	111.9	P727 Y731	P727-V729 PolarHBondContact O-N 3.11Å; V729-Y731 HydrophobicContact CB-CE1 4.27Å; V729-Y731 HydrophobicContact CG1-CD1 4.09Å; V729-Y731 HydrophobicContact CG1-CE1 4.11Å
730	S	27.4	Very low	34.1	Very low	107 Å²	107	112.5 Å²	112.5	75%	0.748	59%	0.592	S	S	*	*			trans	-82.7	109.8	169.5	153.1	0	0	0	0	109.7	G728	G728-S730 PolarHBondContact O-N 3.01Å
731	Y	24.1	Very low	34	Very low	185 Å²	185	119.4 Å²	119.4	73%	0.725	61%	0.611	S	S	*	*			trans	-98.5	146.2	152.1	16.2	-89.5	0	0	0	107.6	V729	V729-Y731 HydrophobicContact CB-CE1 4.27Å; V729-Y731 HydrophobicContact CG1-CD1 4.09Å; V729-Y731 HydrophobicContact CG1-CE1 4.11Å
732	V	26	Very low	34	Very low	125 Å²	125	118.6 Å²	118.6	76%	0.758	62%	0.621	S	S	*	*			trans	126.1	103	155.1	-178.9	0	0	0	0	115.1
733	V	25.8	Very low	33	Very low	113 Å²	113	121.2 Å²	121.2	69%	0.685	65%	0.648	S	S	*	*			trans	83.6	114.6	136.2	-178.6	0	0	0	0	119.9
734	P	24.2	Very low	32.3	Very low	123 Å²	123	126 Å²	126	80%	0.799	66%	0.66	S	S	*	*			trans	-84	127.2	174	31.8	-28.7	0	0	0	111.7
735	T	30.6	Very low	31.4	Very low	134 Å²	134	130.1 Å²	130.1	82%	0.822	68%	0.68	S	S	*	*			trans	-112.1	124.6	160.4	50.8	0	0	0	0	110.7
736	K	27.4	Very low	30.6	Very low	206 Å²	206	132.3 Å²	132.3	90%	0.896	71%	0.708	S	S	*	*			trans	-56.5	140.6	-178.8	-58.1	169.6	177.7	175.8	0	112.3
737	A	31.5	Very low	30	Very low	92 Å²	92	129.3 Å²	129.3	76%	0.76	70%	0.704	S	S	*	*				155.1	124.9	109.7	0	0	0	0	0	113.9
738	D	32.4	Very low	29.2	Very low	122 Å²	122	139.5 Å²	139.5	65%	0.652	74%	0.74	S	S	*	*			trans	72.5	103.3	138.7	-84.3	-5.3	0	0	0	123.6
739	K	33	Very low	29.2	Very low	151 Å²	151	142.2 Å²	142.2	66%	0.657	75%	0.746	S	S	*	*				73.1	119.1	113.4	-73.6	177.8	-168.7	119.7	0	121.2
740	R	31.8	Very low	29.2	Very low	225 Å²	225	144.4 Å²	144.4	85%	0.849	75%	0.751	S	S	*	*				92.8	130.9	124.7	-78.2	177	172.5	179.1	-2	120.4
741	R	32.3	Very low	29.4	Very low	239 Å²	239	150.2 Å²	150.2	90%	0.902	76%	0.756	S	S	*	*			trans	96	104.9	162.1	-68.1	179.6	168	178.2	-3.4	114.2
742	S	29.4	Very low	29.8	Very low	119 Å²	119	147 Å²	147	83%	0.832	75%	0.752	S	S	*	*				74.6	112.6	61.9	-163.3	0	0	0	0	114.8
743	A	27.5	Very low	30.6	Very low	84 Å²	84	145.2 Å²	145.2	69%	0.694	74%	0.741	S	S	*	*			trans	94.9	123.9	146.5	0	0	0	0	0	120.3
744	R	30.8	Very low	31.4	Very low	228 Å²	228	144.7 Å²	144.7	86%	0.86	74%	0.738	S	S	*	*			trans	101.3	105	149	-59.3	-175.2	-170.8	-172.4	2.1	118.7
745	I	29.6	Very low	32.1	Very low	170 Å²	170	141.9 Å²	141.9	87%	0.872	72%	0.72	S	S	*	*			trans	55	107.9	130	-57.5	156.5	0	0	0	116.5
746	G	26.6	Very low	32.7	Very low	66 Å²	66	137 Å²	137	68%	0.68	69%	0.693	S	S	*	*			trans	139.5	123	158.2	0	0	0	0	0	115.5
747	S	29	Very low	33.9	Very low	78 Å²	78	129.3 Å²	129.3	55%	0.545	66%	0.661	S	S	.	*			trans	59.2	115.4	168	76.7	0	0	0	0	119.2	K614 I749	K614-S747 PolarHBondContact NZ-OG 3.41Å; S747-I749 PolarHBondContact O-N 3.38Å
748	Y	28.4	Very low	34.8	Very low	250 Å²	250	130.6 Å²	130.6	98%	0.98	65%	0.653	S	S	*	*	S	Bend	trans	-67.2	70.5	162.7	-115	-93.5	0	0	0	110.2
749	I	33.2	Very low	36	Very low	88 Å²	88	131.6 Å²	131.6	45%	0.451	65%	0.654	S	S	.	*			trans	-139.7	127.8	161.5	-57.8	-177.6	0	0	0	103.6	S747	S747-I749 PolarHBondContact O-N 3.38Å
750	E	32.5	Very low	37.4	Very low	128 Å²	128	125.5 Å²	125.5	60%	0.598	63%	0.628	S	S	*	*	S	Bend	trans	96.8	29.3	165.2	-137.5	168.8	-140	0	0	119.8
751	R	31.3	Very low	39.1	Very low	228 Å²	228	116.4 Å²	116.4	86%	0.86	60%	0.596	S	S	*	*	S	Bend	trans	-136.4	123.2	157	-77.9	-170.2	169.9	98.4	3	112.5
752	D	32.9	Very low	41	Very low	119 Å²	119	112.6 Å²	112.6	64%	0.636	59%	0.589	S	S	*	*			trans	65.3	47.4	166.1	-58.3	-24.1	0	0	0	118.7	T754 P755	D752-T754 VanDerWaalsContact C-N 3.3Å; D752-P755 HydrophobicContact CB-CG 4.22Å; D752-P755 WeakPolarHBondContact O-CD 3.48Å
753	V	42.3	Very low	43.3	Very low	87 Å²	87	111.8 Å²	111.8	53%	0.527	58%	0.575	S	S	.	*	H	α-helix	trans	-69.1	-29.6	169.4	-178.4	0	0	0	0	111.8	I757	V753-I757 HydrophobicContact CG1-CD1 3.57Å; V753-I757 HydrophobicContact CG1-CG1 4.08Å; V753-I757 WeakPolarHBondContact O-CG1 3.47Å; V753-I757 PolarHBondContact O-N 3.41Å; V753-I757 VanDerWaalsContact O-N 3.12Å
754	T	43.4	Very low	45.9	Very low	102 Å²	102	109.3 Å²	109.3	63%	0.626	55%	0.554	S	S	*	*	H	α-helix	trans	-69	-45.9	-174.9	11	0	0	0	0	114.7	D752	D752-T754 VanDerWaalsContact C-N 3.3Å
755	P	39.2	Very low	48.6	Very low	64 Å²	64	98.4 Å²	98.4	42%	0.416	51%	0.513	S	S	.	.	H	α-helix	trans	-66	-41.4	175.2	-19.2	31.5	0	0	0	112.2	D752 I757 M758 E759	D752-P755 HydrophobicContact CB-CG 4.22Å; D752-P755 WeakPolarHBondContact O-CD 3.48Å; P755-I757 VanDerWaalsContact C-N 3.32Å; P755-I757 PolarHBondContact O-N 2.79Å; P755-M758 PolarHBondContact O-N 2.74Å; P755-M758 VanDerWaalsContact O-N 3.1Å; P755-E759 PolarHBondContact O-N 3.26Å; P755-E759 VanDerWaalsContact O-N 3.1Å
756	A	42.2	Very low	51.4	Low	31 Å²	31	93.1 Å²	93.1	26%	0.256	49%	0.486	S	S	.	.	H	α-helix	trans	-65.8	-32.6	-177.5	0	0	0	0	0	113.1	M758 D760	A756-M758 VanDerWaalsContact C-N 3.33Å; A756-D760 WeakPolarHBondContact O-CB 3.01Å; A756-D760 PolarHBondContact O-N 3.03Å
757	I	52	Low	54.5	Low	44 Å²	44	91.1 Å²	91.1	23%	0.226	46%	0.46	C	S	.	.	H	α-helix	trans	-64.5	-38.9	173.2	-71.9	169	0	0	0	111.3	C675 Y676 V753 P755 D761 H803	C675-I757 HydrophobicContact CB-CD1 4.27Å; Y676-I757 HydrophobicContact CE1-CG2 4.12Å; Y676-I757 PolarHBondContact OH-O 2.92Å; V753-I757 HydrophobicContact CG1-CD1 3.57Å; V753-I757 HydrophobicContact CG1-CG1 4.08Å; V753-I757 WeakPolarHBondContact O-CG1 3.47Å; V753-I757 PolarHBondContact O-N 3.41Å; V753-I757 VanDerWaalsContact O-N 3.12Å; P755-I757 VanDerWaalsContact C-N 3.32Å; P755-I757 PolarHBondContact O-N 2.79Å; I757-D761 PolarHBondContact O-N 3.29Å; I757-D761 VanDerWaalsContact O-N 3.17Å; I757-H803 HydrophobicContact CG1-CB 4.43Å
758	M	50.8	Low	57.4	Low	119 Å²	119	89.8 Å²	89.8	59%	0.586	45%	0.445	S	S	*	.	H	α-helix	trans	-70.5	-42	-179.1	-66.9	-172.3	70.6	0	0	111.7	P755 A756 D760 E762	P755-M758 PolarHBondContact O-N 2.74Å; P755-M758 VanDerWaalsContact O-N 3.1Å; A756-M758 VanDerWaalsContact C-N 3.33Å; M758-D760 PolarHBondContact O-N 2.9Å; M758-E762 WeakPolarHBondContact O-CG 3.4Å; M758-E762 PolarHBondContact O-N 3.48Å
759	E	57.4	Low	60.4	Low	144 Å²	144	79.2 Å²	79.2	67%	0.673	41%	0.406	S	S	*	.	H	α-helix	trans	-63.6	-40.2	177.7	-70.8	-179.5	178.7	0	0	112	P755 E762 L763	P755-E759 PolarHBondContact O-N 3.26Å; P755-E759 VanDerWaalsContact O-N 3.1Å; E759-E762 PolarHBondContact O-N 2.81Å; E759-L763 PolarHBondContact O-N 2.86Å
760	D	61.9	Low	63.3	Low	22 Å²	22	75 Å²	75	12%	0.118	38%	0.384	C	S	.	.	H	α-helix	trans	-75.8	-31.5	-177.7	-172.7	22.8	0	0	0	113.2	Y676 A756 M758 E762 G804 R805	Y676-D760 WeakPolarHBondContact OH-CB 3.4Å; Y676-D760 PolarHBondContact OH-OD2 3.18Å; A756-D760 WeakPolarHBondContact O-CB 3.01Å; A756-D760 PolarHBondContact O-N 3.03Å; M758-D760 PolarHBondContact O-N 2.9Å; D760-E762 VanDerWaalsContact C-N 3.29Å; D760-E762 PolarHBondContact O-N 2.87Å; D760-G804 WeakPolarHBondContact OD2-CA 3.33Å; D760-G804 PolarHBondContact OD2-N 2.92Å; D760-G804 VanDerWaalsContact OD2-N 3.11Å; D760-R805 PolarHBondContact O-NH2 2.85Å; D760-R805 IonicContact OD1-CZ 3.23Å; D760-R805 IonicContact OD1-NE 3.81Å; D760-R805 PolarHBondContact OD1-NE 2.87Å; D760-R805 IonicContact OD1-NH2 3.83Å
761	D	68.2	Low	66.3	Low	34 Å²	34	69.4 Å²	69.4	18%	0.182	36%	0.358	C	S	.	.	H	α-helix	trans	-73.1	-18.6	172.1	-149.4	27.7	0	0	0	112.6	Y676 R685 K686 I757	Y676-D761 HydrophobicContact CD1-CB 4.28Å; Y676-D761 HydrophobicContact CE1-CB 3.63Å; R685-D761 IonicContact NH1-OD1 3.53Å; R685-D761 IonicContact NH1-OD2 3.64Å; R685-D761 PolarHBondContact NH1-OD2 3.37Å; R685-D761 VanDerWaalsContact NH1-OD2 3.1Å; R685-D761 IonicContact NH2-OD1 2.78Å; K686-D761 VanDerWaalsContact CE-O 3.3Å; K686-D761 WeakPolarHBondContact CE-O 3.27Å; K686-D761 PolarHBondContact NZ-O 3.12Å; I757-D761 PolarHBondContact O-N 3.29Å; I757-D761 VanDerWaalsContact O-N 3.17Å
762	E	72	Confident	69.3	Low	160 Å²	160	59.5 Å²	59.5	75%	0.748	32%	0.324	S	S	*	.	H	α-helix	trans	-85.2	-23.2	177.7	-76.2	-168.8	-179.1	0	0	112.7	M758 E759 D760 A764	M758-E762 WeakPolarHBondContact O-CG 3.4Å; M758-E762 PolarHBondContact O-N 3.48Å; E759-E762 PolarHBondContact O-N 2.81Å; D760-E762 VanDerWaalsContact C-N 3.29Å; D760-E762 PolarHBondContact O-N 2.87Å; E762-A764 PolarHBondContact O-N 3.17Å
763	L	77.3	Confident	72.3	Confident	102 Å²	102	53.9 Å²	53.9	53%	0.534	29%	0.294	S	S	.	.	S	Bend	trans	-61.5	135.9	177.6	-72.7	173.9	0	0	0	111.7	K686 E759 R805	K686-L763 PolarHBondContact NZ-O 3.28Å; E759-L763 PolarHBondContact O-N 2.86Å; L763-R805 PolarHBondContact O-NH2 2.79Å
764	A	82.3	Confident	74.9	Confident	31 Å²	31	49.7 Å²	49.7	26%	0.256	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-57.9	157.2	174.1	0	0	0	0	0	111.3	S689 I691 E762 R805	S689-A764 WeakPolarHBondContact O-CB 3.39Å; I691-A764 HydrophobicContact CD1-CB 3.61Å; I691-A764 HydrophobicContact CG1-CB 4.04Å; E762-A764 PolarHBondContact O-N 3.17Å; A764-R805 PolarHBondContact O-NH1 2.85Å; A764-R805 PolarHBondContact O-NH2 2.82Å
765	L	88.4	Confident	77.5	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-93.8	132.2	171.5	-171.4	71.8	0	0	0	108.2	F682 L683 K686 F690 I691 D769 L770 F773 L866	F682-L765 HydrophobicContact CE1-CD1 4.11Å; L683-L765 HydrophobicContact CD2-CD2 3.63Å; K686-L765 HydrophobicContact CB-CB 3.97Å; K686-L765 HydrophobicContact CB-CD2 4.08Å; K686-L765 HydrophobicContact CG-CB 4.39Å; F690-L765 CarbonylContact C-O 3.58Å; F690-L765 VanDerWaalsContact CA-O 3.31Å; F690-L765 WeakPolarHBondContact CA-O 3.42Å; F690-L765 HydrophobicContact CD2-CB 4.08Å; F690-L765 HydrophobicContact CD2-CD2 4.13Å; F690-L765 HydrophobicContact CD2-CG 4.01Å; F690-L765 WeakPolarHBondContact CD2-O 3.32Å; F690-L765 HydrophobicContact CE2-CG 4.37Å; I691-L765 PolarHBondContact N-O 3.02Å; L765-D769 WeakPolarHBondContact CA-OD2 3.33Å; L765-D769 HydrophobicContact CD1-CB 3.36Å; L765-D769 HydrophobicContact CG-CB 4.22Å; L765-L770 HydrophobicContact CD2-CD2 3.86Å; L765-L770 HydrophobicContact CG-CD2 4.35Å; L765-F773 HydrophobicContact CD1-CE2 3.78Å; L765-F773 HydrophobicContact CD1-CZ 4.19Å; L765-L866 HydrophobicContact CD2-CD2 4.08Å
766	D	89.2	Confident	80.2	Confident	59 Å²	59	42.3 Å²	42.3	32%	0.316	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-122.6	-178.8	175.2	71.9	23.5	0	0	0	112.3	F690 E768 D769 L770	F690-D766 VanDerWaalsContact CE2-C 3.46Å; F690-D766 WeakPolarHBondContact CE2-O 3.41Å; D766-E768 VanDerWaalsContact C-N 3.29Å; D766-E768 PolarHBondContact O-N 3.1Å; D766-E768 WeakPolarHBondContact OD1-CA 2.99Å; D766-E768 WeakPolarHBondContact OD1-CB 2.98Å; D766-E768 PolarHBondContact OD1-N 3.24Å; D766-D769 PolarHBondContact N-OD2 3.01Å; D766-D769 WeakPolarHBondContact O-CB 3.37Å; D766-D769 PolarHBondContact O-N 3.2Å; D766-D769 PolarHBondContact OD1-N 3.07Å; D766-L770 PolarHBondContact O-N 3.39Å
767	L	90.2	Very high	82.9	Confident	24 Å²	24	40.8 Å²	40.8	13%	0.126	21%	0.209	C	C	.	.	H	α-helix	trans	-64.7	-32.4	-179.2	-178.2	62.4	0	0	0	112.9	D769 L770 L771 F864 P897	L767-D769 VanDerWaalsContact C-N 3.32Å; L767-L770 PolarHBondContact O-N 3.02Å; L767-L771 HydrophobicContact CG-CD1 4.33Å; L767-L771 WeakPolarHBondContact O-CG 3.47Å; L767-L771 PolarHBondContact O-N 2.76Å; L767-F864 HydrophobicContact CD1-CD1 4.32Å; L767-F864 HydrophobicContact CD1-CE1 3.77Å; L767-P897 HydrophobicContact CD1-CG 4.11Å; L767-P897 HydrophobicContact CD2-CG 4.19Å
768	E	89.3	Confident	85.1	Confident	50 Å²	50	38.7 Å²	38.7	23%	0.234	20%	0.198	C	C	.	.	H	α-helix	trans	-69.2	-34.9	179.8	-170	69.1	-173.2	0	0	110.5	D766 L771 S772 S930 T933	D766-E768 VanDerWaalsContact C-N 3.29Å; D766-E768 PolarHBondContact O-N 3.1Å; D766-E768 WeakPolarHBondContact OD1-CA 2.99Å; D766-E768 WeakPolarHBondContact OD1-CB 2.98Å; D766-E768 PolarHBondContact OD1-N 3.24Å; E768-L771 PolarHBondContact O-N 2.78Å; E768-S772 VanDerWaalsContact O-CB 3.32Å; E768-S772 WeakPolarHBondContact O-CB 3.21Å; E768-S772 PolarHBondContact O-N 3.15Å; E768-S930 WeakPolarHBondContact OE1-CB 3.33Å; E768-S930 PolarHBondContact OE1-N 3.49Å; E768-S930 VanDerWaalsContact OE1-N 3.09Å; E768-S930 PolarHBondContact OE1-OG 3.47Å; E768-T933 WeakPolarHBondContact CG-OG1 3.4Å; E768-T933 VanDerWaalsContact OE1-CB 3.23Å; E768-T933 WeakPolarHBondContact OE1-CB 3.44Å; E768-T933 PolarHBondContact OE1-OG1 2.95Å
769	D	92	Very high	87.3	Confident	28 Å²	28	35 Å²	35	15%	0.15	18%	0.179	C	C	.	.	H	α-helix	trans	-60.7	-44.9	171	-66.1	-61.6	0	0	0	112	L765 D766 L767 L771 S772 F773 R805	L765-D769 WeakPolarHBondContact CA-OD2 3.33Å; L765-D769 HydrophobicContact CD1-CB 3.36Å; L765-D769 HydrophobicContact CG-CB 4.22Å; D766-D769 PolarHBondContact N-OD2 3.01Å; D766-D769 WeakPolarHBondContact O-CB 3.37Å; D766-D769 PolarHBondContact O-N 3.2Å; D766-D769 PolarHBondContact OD1-N 3.07Å; L767-D769 VanDerWaalsContact C-N 3.32Å; D769-L771 PolarHBondContact O-N 3.46Å; D769-S772 WeakPolarHBondContact O-CB 3.5Å; D769-S772 PolarHBondContact O-N 3.4Å; D769-F773 HydrophobicContact CB-CE2 4.36Å; D769-F773 HydrophobicContact CB-CZ 4.33Å; D769-F773 WeakPolarHBondContact O-CD1 3.34Å; D769-F773 WeakPolarHBondContact O-CD2 3.34Å; D769-F773 WeakPolarHBondContact O-CG 3.19Å; D769-F773 PolarHBondContact O-N 3.25Å; D769-R805 IonicContact OD1-CZ 3.72Å; D769-R805 IonicContact OD1-NH1 3.32Å; D769-R805 PolarHBondContact OD1-NH1 2.79Å; D769-R805 IonicContact OD2-NH1 2.71Å; D769-R805 PolarHBondContact OD2-NH1 2.01Å
770	L	94.9	Very high	89.2	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.1	-41.3	177.8	-59.5	-175.2	0	0	0	111.6	L683 F690 L765 D766 L767 F773 S774 L863 F864 L866	L683-L770 HydrophobicContact CD2-CD2 3.73Å; F690-L770 HydrophobicContact CE2-CD1 3.63Å; F690-L770 HydrophobicContact CE2-CG 3.97Å; F690-L770 HydrophobicContact CZ-CD1 3.7Å; F690-L770 HydrophobicContact CZ-CG 4.46Å; L765-L770 HydrophobicContact CD2-CD2 3.86Å; L765-L770 HydrophobicContact CG-CD2 4.35Å; D766-L770 PolarHBondContact O-N 3.39Å; L767-L770 PolarHBondContact O-N 3.02Å; L770-F773 HydrophobicContact CD2-CD2 4.47Å; L770-F773 PolarHBondContact O-N 3.4Å; L770-S774 PolarHBondContact O-N 2.9Å; L770-S774 PolarHBondContact O-OG 3.29Å; L770-L863 HydrophobicContact CB-CG 4.49Å; L770-L863 HydrophobicContact CD2-CD1 4.05Å; L770-L863 HydrophobicContact CD2-CG 4.17Å; L770-L863 WeakPolarHBondContact O-CD2 3.39Å; L770-F864 HydrophobicContact CB-CD1 4.31Å; L770-F864 HydrophobicContact CB-CE1 3.81Å; L770-F864 HydrophobicContact CB-CZ 4.04Å; L770-F864 HydrophobicContact CD1-CD1 3.89Å; L770-F864 HydrophobicContact CD1-CE1 4.15Å; L770-L866 HydrophobicContact CD1-CD2 4.11Å; L770-L866 HydrophobicContact CD2-CD2 4.16Å
771	L	94.6	Very high	90.9	Very high	9 Å²	9	27.1 Å²	27.1	5%	0.047	14%	0.141	C	C	.	.	H	α-helix	trans	-62.7	-43.7	174.4	-70.1	169.8	0	0	0	111.1	L767 E768 D769 S774 Y775 F864 M900 Q928 I929	L767-L771 HydrophobicContact CG-CD1 4.33Å; L767-L771 WeakPolarHBondContact O-CG 3.47Å; L767-L771 PolarHBondContact O-N 2.76Å; E768-L771 PolarHBondContact O-N 2.78Å; D769-L771 PolarHBondContact O-N 3.46Å; L771-S774 WeakPolarHBondContact O-CB 3.46Å; L771-S774 PolarHBondContact O-N 2.99Å; L771-Y775 PolarHBondContact O-N 3.43Å; L771-F864 HydrophobicContact CD2-CZ 4.13Å; L771-M900 HydrophobicContact CD2-CE 3.52Å; L771-Q928 HydrophobicContact CD2-CB 4.14Å; L771-I929 HydrophobicContact CB-CG1 3.94Å
772	S	94.1	Very high	92.3	Very high	21 Å²	21	26.8 Å²	26.8	15%	0.147	14%	0.143	C	C	.	.	H	α-helix	trans	-58.6	-48.6	174.5	-179.5	0	0	0	0	111.6	E768 D769 S774 Y775 Q776	E768-S772 VanDerWaalsContact O-CB 3.32Å; E768-S772 WeakPolarHBondContact O-CB 3.21Å; E768-S772 PolarHBondContact O-N 3.15Å; D769-S772 WeakPolarHBondContact O-CB 3.5Å; D769-S772 PolarHBondContact O-N 3.4Å; S772-S774 VanDerWaalsContact C-N 3.34Å; S772-S774 PolarHBondContact O-N 2.83Å; S772-Y775 PolarHBondContact O-N 2.97Å; S772-Q776 WeakPolarHBondContact O-CB 3.38Å; S772-Q776 WeakPolarHBondContact O-CG 3.38Å; S772-Q776 PolarHBondContact O-N 3.49Å; S772-Q776 PolarHBondContact OG-NE2 3.45Å
773	F	96.7	Very high	93.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.1	-43.5	177.6	-62.4	-20.2	0	0	0	112.3	L679 F682 L765 D769 L770 Y775 Q776 V777 L801 R805 T807 L863	L679-F773 HydrophobicContact CD1-CD2 3.8Å; L679-F773 HydrophobicContact CD1-CE2 3.85Å; L679-F773 HydrophobicContact CD1-CG 4.39Å; L679-F773 HydrophobicContact CD2-CB 4.36Å; L679-F773 HydrophobicContact CD2-CD2 4.46Å; L679-F773 HydrophobicContact CD2-CG 4.49Å; F682-F773 HydrophobicContact CE1-CE2 4.24Å; F682-F773 HydrophobicContact CE1-CZ 4.2Å; L765-F773 HydrophobicContact CD1-CE2 3.78Å; L765-F773 HydrophobicContact CD1-CZ 4.19Å; D769-F773 HydrophobicContact CB-CE2 4.36Å; D769-F773 HydrophobicContact CB-CZ 4.33Å; D769-F773 WeakPolarHBondContact O-CD1 3.34Å; D769-F773 WeakPolarHBondContact O-CD2 3.34Å; D769-F773 WeakPolarHBondContact O-CG 3.19Å; D769-F773 PolarHBondContact O-N 3.25Å; L770-F773 HydrophobicContact CD2-CD2 4.47Å; L770-F773 PolarHBondContact O-N 3.4Å; F773-Y775 PolarHBondContact O-N 3.4Å; F773-Q776 PolarHBondContact O-N 3.09Å; F773-V777 WeakPolarHBondContact O-CG2 3.49Å; F773-V777 PolarHBondContact O-N 2.87Å; F773-L801 HydrophobicContact CD1-CD1 4.28Å; F773-L801 HydrophobicContact CE1-CD1 3.79Å; F773-L801 HydrophobicContact CZ-CD1 4.17Å; F773-L801 HydrophobicContact CZ-CD2 4.29Å; F773-R805 HydrophobicContact CE1-CB 3.71Å; F773-R805 WeakPolarHBondContact CE1-O 3.39Å; F773-R805 HydrophobicContact CZ-CB 4.06Å; F773-T807 HydrophobicContact CB-CG2 4.05Å; F773-T807 HydrophobicContact CD1-CG2 3.61Å; F773-T807 HydrophobicContact CE1-CG2 4.42Å; F773-T807 HydrophobicContact CG-CG2 4.05Å; F773-L863 HydrophobicContact CB-CD1 4.03Å; F773-L863 HydrophobicContact CB-CD2 4.02Å; F773-L863 HydrophobicContact CD2-CD1 3.95Å; F773-L863 HydrophobicContact CG-CD1 4.49Å
774	S	97.5	Very high	94.3	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-54	-54	175.1	-54.9	0	0	0	0	110.4	L770 L771 S772 Q776 V777 A778 Y856 L860 L863 F864	L770-S774 PolarHBondContact O-N 2.9Å; L770-S774 PolarHBondContact O-OG 3.29Å; L771-S774 WeakPolarHBondContact O-CB 3.46Å; L771-S774 PolarHBondContact O-N 2.99Å; S772-S774 VanDerWaalsContact C-N 3.34Å; S772-S774 PolarHBondContact O-N 2.83Å; S774-Q776 PolarHBondContact O-N 3.37Å; S774-V777 PolarHBondContact O-N 2.61Å; S774-A778 WeakPolarHBondContact O-CB 3.46Å; S774-A778 PolarHBondContact O-N 3.1Å; S774-Y856 PolarHBondContact O-OH 2.89Å; S774-L860 WeakPolarHBondContact OG-CD2 3.01Å; S774-L863 WeakPolarHBondContact OG-CD2 3.41Å; S774-F864 WeakPolarHBondContact OG-CE2 3.28Å
775	Y	96.9	Very high	94.8	Very high	7 Å²	7	15.6 Å²	15.6	3%	0.027	9%	0.086	C	C	.	.	H	α-helix	trans	-62.7	-44.4	-178.3	177.1	-113.8	0	0	0	114	L771 S772 F773 A778 K779 V922 I925 E926 I929 Y937	L771-Y775 PolarHBondContact O-N 3.43Å; S772-Y775 PolarHBondContact O-N 2.97Å; F773-Y775 PolarHBondContact O-N 3.4Å; Y775-A778 PolarHBondContact O-N 2.64Å; Y775-K779 HydrophobicContact CD1-CD 4.46Å; Y775-K779 HydrophobicContact CE1-CD 3.94Å; Y775-K779 VanDerWaalsContact CE1-NZ 3.33Å; Y775-K779 HydrophobicContact CE2-CD 4.45Å; Y775-K779 PolarHBondContact O-N 3.09Å; Y775-K779 WeakPolarHBondContact OH-CE 3.36Å; Y775-K779 PolarHBondContact OH-NZ 2.91Å; Y775-V922 HydrophobicContact CD2-CG1 4.28Å; Y775-V922 HydrophobicContact CE2-CG1 3.67Å; Y775-I925 HydrophobicContact CD2-CB 4.46Å; Y775-I925 HydrophobicContact CD2-CG2 4.34Å; Y775-E926 HydrophobicContact CD2-CG 4.43Å; Y775-E926 HydrophobicContact CE2-CB 4.21Å; Y775-E926 HydrophobicContact CE2-CG 3.47Å; Y775-E926 VanDerWaalsContact CE2-CG 3.47Å; Y775-E926 VanDerWaalsContact CE2-OE1 3.28Å; Y775-E926 WeakPolarHBondContact CE2-OE1 3.4Å; Y775-E926 VanDerWaalsContact CZ-OE1 3.31Å; Y775-E926 PolarHBondContact OH-OE1 2.94Å; Y775-I929 HydrophobicContact CD1-CD1 4.07Å; Y775-I929 HydrophobicContact CD2-CD1 4.15Å; Y775-I929 HydrophobicContact CG-CD1 3.63Å; Y775-Y937 HydrophobicContact CE1-CD1 4.12Å; Y775-Y937 HydrophobicContact CE1-CG 4.27Å
776	Q	97.3	Very high	95	Very high	3 Å²	3	19.5 Å²	19.5	1%	0.014	11%	0.114	C	C	.	.	H	α-helix	trans	-62.8	-42.9	179.2	-72.3	-170.8	63.3	0	0	111.9	N653 S772 F773 S774 K779 G780 R805 I806 T807 Y937	N653-Q776 WeakPolarHBondContact CB-O 3.45Å; N653-Q776 WeakPolarHBondContact ND2-CB 3.31Å; N653-Q776 PolarHBondContact ND2-OE1 3.49Å; N653-Q776 VanDerWaalsContact ND2-OE1 3.16Å; N653-Q776 PolarHBondContact OD1-O 2.9Å; S772-Q776 WeakPolarHBondContact O-CB 3.38Å; S772-Q776 WeakPolarHBondContact O-CG 3.38Å; S772-Q776 PolarHBondContact O-N 3.49Å; S772-Q776 PolarHBondContact OG-NE2 3.45Å; F773-Q776 PolarHBondContact O-N 3.09Å; S774-Q776 PolarHBondContact O-N 3.37Å; Q776-K779 PolarHBondContact O-N 3.39Å; Q776-G780 PolarHBondContact O-N 2.71Å; Q776-R805 PolarHBondContact NE2-O 3.49Å; Q776-R805 VanDerWaalsContact NE2-O 3.17Å; Q776-I806 VanDerWaalsContact OE1-CA 3.27Å; Q776-T807 HydrophobicContact CB-CG2 4.27Å; Q776-T807 WeakPolarHBondContact CB-OG1 3.43Å; Q776-Y937 HydrophobicContact CG-CD2 3.77Å; Q776-Y937 HydrophobicContact CG-CE2 3.64Å
777	V	98	Very high	95	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-68	-40.5	175.8	176.5	0	0	0	0	111	F773 S774 K779 G780 M781 L794 I799 T807 I809 Y856 F859	F773-V777 WeakPolarHBondContact O-CG2 3.49Å; F773-V777 PolarHBondContact O-N 2.87Å; S774-V777 PolarHBondContact O-N 2.61Å; V777-K779 VanDerWaalsContact C-N 3.3Å; V777-K779 PolarHBondContact O-N 2.92Å; V777-G780 PolarHBondContact O-N 2.85Å; V777-M781 HydrophobicContact CG1-CG 4.47Å; V777-M781 PolarHBondContact O-N 2.86Å; V777-L794 HydrophobicContact CG1-CD1 4.26Å; V777-I799 HydrophobicContact CG1-CD1 3.84Å; V777-I799 HydrophobicContact CG2-CD1 3.89Å; V777-I799 HydrophobicContact CG2-CG1 4.09Å; V777-I799 HydrophobicContact CG2-CG2 3.86Å; V777-T807 HydrophobicContact CG2-CG2 4.29Å; V777-I809 HydrophobicContact CG1-CD1 4.16Å; V777-I809 HydrophobicContact CG1-CG1 4.22Å; V777-Y856 HydrophobicContact CB-CE2 4.23Å; V777-Y856 HydrophobicContact CG1-CD2 4.09Å; V777-Y856 HydrophobicContact CG1-CE2 3.93Å; V777-F859 HydrophobicContact CB-CE1 3.74Å; V777-F859 HydrophobicContact CB-CZ 4.08Å; V777-F859 HydrophobicContact CG1-CD1 4.08Å; V777-F859 HydrophobicContact CG1-CE1 3.74Å; V777-F859 HydrophobicContact CG1-CZ 4.21Å; V777-F859 HydrophobicContact CG2-CE1 3.9Å; V777-F859 HydrophobicContact CG2-CZ 3.68Å
778	A	98.1	Very high	94.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-58.3	-41.9	174	0	0	0	0	0	112.1	S774 Y775 M781 A782 Y856 I921 V922 I925	S774-A778 WeakPolarHBondContact O-CB 3.46Å; S774-A778 PolarHBondContact O-N 3.1Å; Y775-A778 PolarHBondContact O-N 2.64Å; A778-M781 PolarHBondContact O-N 2.97Å; A778-A782 WeakPolarHBondContact O-CB 3.43Å; A778-A782 PolarHBondContact O-N 2.82Å; A778-Y856 HydrophobicContact CB-CE2 4.05Å; A778-I921 HydrophobicContact CB-CG2 3.98Å; A778-V922 HydrophobicContact CB-CG2 3.65Å; A778-I925 HydrophobicContact CB-CD1 4.22Å
779	K	97.3	Very high	94.9	Very high	41 Å²	41	20.1 Å²	20.1	18%	0.178	12%	0.115	C	C	.	.	H	α-helix	trans	-63	-43.8	174.6	-83.2	-171.7	167.8	173.1	0	112.6	Y775 Q776 V777 A782 F783 V922 Y937	Y775-K779 HydrophobicContact CD1-CD 4.46Å; Y775-K779 HydrophobicContact CE1-CD 3.94Å; Y775-K779 VanDerWaalsContact CE1-NZ 3.33Å; Y775-K779 HydrophobicContact CE2-CD 4.45Å; Y775-K779 PolarHBondContact O-N 3.09Å; Y775-K779 WeakPolarHBondContact OH-CE 3.36Å; Y775-K779 PolarHBondContact OH-NZ 2.91Å; Q776-K779 PolarHBondContact O-N 3.39Å; V777-K779 VanDerWaalsContact C-N 3.3Å; V777-K779 PolarHBondContact O-N 2.92Å; K779-A782 PolarHBondContact O-N 2.85Å; K779-F783 PolarHBondContact O-N 2.92Å; K779-V922 HydrophobicContact CG-CG1 4.07Å; K779-V922 HydrophobicContact CG-CG2 3.95Å; K779-Y937 HydrophobicContact CD-CD1 4.45Å; K779-Y937 HydrophobicContact CD-CE1 3.56Å; K779-Y937 WeakPolarHBondContact CD-OH 3.04Å; K779-Y937 VanDerWaalsContact NZ-CD1 3.31Å
780	G	97	Very high	94.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.9	-43.4	175.9	0	0	0	0	0	112.5	Q776 V777 F783 L784 I809	Q776-G780 PolarHBondContact O-N 2.71Å; V777-G780 PolarHBondContact O-N 2.85Å; G780-F783 WeakPolarHBondContact O-CB 3.33Å; G780-F783 PolarHBondContact O-N 2.98Å; G780-L784 WeakPolarHBondContact O-CG 3.45Å; G780-L784 PolarHBondContact O-N 2.93Å; G780-I809 VanDerWaalsContact C-CD1 3.46Å
781	M	98	Very high	94.7	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-70	-35	176.2	-70.5	-56.3	-61.2	0	0	113	V777 A778 F783 L784 A785 H791 L794 I809 D852 F918	V777-M781 HydrophobicContact CG1-CG 4.47Å; V777-M781 PolarHBondContact O-N 2.86Å; A778-M781 PolarHBondContact O-N 2.97Å; M781-F783 VanDerWaalsContact C-N 3.28Å; M781-F783 PolarHBondContact O-N 2.79Å; M781-L784 PolarHBondContact O-N 3.06Å; M781-L784 HydrophobicContact SD-CD1 3.85Å; M781-A785 WeakPolarHBondContact O-CB 3.48Å; M781-A785 PolarHBondContact O-N 3.28Å; M781-H791 HydrophobicContact CE-CB 3.96Å; M781-H791 HydrophobicContact SD-CB 4.36Å; M781-L794 HydrophobicContact CE-CD2 3.98Å; M781-L794 HydrophobicContact CG-CD1 4.22Å; M781-L794 HydrophobicContact CG-CD2 3.7Å; M781-L794 HydrophobicContact SD-CD1 3.77Å; M781-L794 HydrophobicContact SD-CD2 3.77Å; M781-L794 HydrophobicContact SD-CG 4.3Å; M781-I809 HydrophobicContact CG-CD1 3.8Å; M781-I809 HydrophobicContact SD-CD1 3.88Å; M781-I809 HydrophobicContact SD-CG2 4.38Å; M781-D852 HydrophobicContact CE-CB 3.72Å; M781-F918 HydrophobicContact CB-CB 4.49Å; M781-F918 HydrophobicContact CB-CD1 3.37Å; M781-F918 HydrophobicContact CB-CD2 3.79Å; M781-F918 HydrophobicContact CB-CE1 3.31Å; M781-F918 HydrophobicContact CB-CE2 3.74Å; M781-F918 HydrophobicContact CB-CG 3.62Å; M781-F918 HydrophobicContact CB-CZ 3.51Å; M781-F918 HydrophobicContact CE-CE2 3.68Å; M781-F918 HydrophobicContact CE-CZ 3.63Å; M781-F918 HydrophobicContact CG-CD1 4.27Å; M781-F918 HydrophobicContact CG-CE1 3.73Å; M781-F918 HydrophobicContact CG-CE2 4.38Å; M781-F918 HydrophobicContact CG-CZ 3.8Å
782	A	97.2	Very high	94.5	Very high	26 Å²	26	19.1 Å²	19.1	22%	0.215	11%	0.108	C	C	.	.	H	α-helix	trans	-60.9	-39.3	171.6	0	0	0	0	0	111.4	A778 K779 S786 F918 V922	A778-A782 WeakPolarHBondContact O-CB 3.43Å; A778-A782 PolarHBondContact O-N 2.82Å; K779-A782 PolarHBondContact O-N 2.85Å; A782-S786 WeakPolarHBondContact O-CB 3.48Å; A782-S786 PolarHBondContact O-N 2.91Å; A782-F918 HydrophobicContact CB-CB 3.79Å; A782-V922 HydrophobicContact CB-CG2 4.35Å
783	F	96.6	Very high	94.3	Very high	32 Å²	32	18.2 Å²	18.2	14%	0.14	10%	0.102	C	C	.	.	H	α-helix	trans	-63.9	-49.3	172.8	172.2	-95.7	0	0	0	111.9	L648 H651 I654 K779 G780 M781 A785 S786 K787	L648-F783 HydrophobicContact CB-CE1 4.49Å; L648-F783 WeakPolarHBondContact O-CZ 3.27Å; H651-F783 HydrophobicContact CB-CB 4.44Å; H651-F783 HydrophobicContact CB-CD1 3.56Å; H651-F783 HydrophobicContact CB-CD2 4Å; H651-F783 HydrophobicContact CB-CE1 3.68Å; H651-F783 HydrophobicContact CB-CE2 4.08Å; H651-F783 HydrophobicContact CB-CG 3.72Å; H651-F783 HydrophobicContact CB-CZ 3.91Å; H651-F783 AromaticContact CD2-CD2 3.6Å; H651-F783 AromaticContact CD2-CG 3.57Å; H651-F783 AromaticContact CG-CD1 3.84Å; H651-F783 AromaticContact CG-CD2 3.94Å; H651-F783 AromaticContact CG-CG 3.56Å; I654-F783 HydrophobicContact CD1-CD1 3.98Å; I654-F783 HydrophobicContact CD1-CE1 3.52Å; I654-F783 HydrophobicContact CD1-CZ 4.48Å; I654-F783 HydrophobicContact CG2-CD1 4.3Å; K779-F783 PolarHBondContact O-N 2.92Å; G780-F783 WeakPolarHBondContact O-CB 3.33Å; G780-F783 PolarHBondContact O-N 2.98Å; M781-F783 VanDerWaalsContact C-N 3.28Å; M781-F783 PolarHBondContact O-N 2.79Å; F783-A785 VanDerWaalsContact C-N 3.34Å; F783-A785 PolarHBondContact O-N 3.19Å; F783-S786 WeakPolarHBondContact O-CB 3.46Å; F783-S786 PolarHBondContact O-N 3.07Å; F783-S786 VanDerWaalsContact O-N 3.1Å; F783-S786 PolarHBondContact O-OG 3.03Å; F783-K787 HydrophobicContact CD2-CG 4.49Å; F783-K787 HydrophobicContact CE1-CG 4.04Å; F783-K787 HydrophobicContact CE2-CG 4.05Å; F783-K787 HydrophobicContact CZ-CD 4.43Å; F783-K787 HydrophobicContact CZ-CG 3.82Å; F783-K787 WeakPolarHBondContact O-CG 3.45Å; F783-K787 PolarHBondContact O-N 2.77Å
784	L	94.4	Very high	94.2	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-58	-46	177.8	-69.2	179.2	0	0	0	111.7	W558 L648 I654 G780 M781 S786 K787 N788 C789 I809	W558-L784 HydrophobicContact CH2-CD1 4.47Å; W558-L784 HydrophobicContact CH2-CD2 4.34Å; W558-L784 HydrophobicContact CZ3-CD2 4.06Å; L648-L784 HydrophobicContact CD1-CD2 3.75Å; L648-L784 HydrophobicContact CD2-CD2 4.26Å; I654-L784 HydrophobicContact CG2-CD2 4.18Å; I654-L784 HydrophobicContact CG2-CG 4.21Å; G780-L784 WeakPolarHBondContact O-CG 3.45Å; G780-L784 PolarHBondContact O-N 2.93Å; M781-L784 PolarHBondContact O-N 3.06Å; M781-L784 HydrophobicContact SD-CD1 3.85Å; L784-S786 VanDerWaalsContact C-N 3.32Å; L784-S786 PolarHBondContact O-N 3.31Å; L784-K787 CarbonylContact O-C 3.48Å; L784-K787 WeakPolarHBondContact O-CA 3.38Å; L784-K787 PolarHBondContact O-N 3.39Å; L784-N788 PolarHBondContact O-N 2.91Å; L784-C789 CarbonylContact C-O 3.54Å; L784-C789 HydrophobicContact CB-CB 4.29Å; L784-C789 HydrophobicContact CD2-CB 4.36Å; L784-C789 WeakPolarHBondContact O-CB 3.5Å; L784-C789 PolarHBondContact O-N 2.8Å; L784-I809 HydrophobicContact CD1-CG2 4.21Å
785	A	92.6	Very high	94.1	Very high	26 Å²	26	18.2 Å²	18.2	22%	0.215	10%	0.102	C	C	.	.	H	α-helix	trans	-59.9	-40.9	174.9	0	0	0	0	0	112	M781 F783 K787 N788 F849 F918	M781-A785 WeakPolarHBondContact O-CB 3.48Å; M781-A785 PolarHBondContact O-N 3.28Å; F783-A785 VanDerWaalsContact C-N 3.34Å; F783-A785 PolarHBondContact O-N 3.19Å; A785-K787 PolarHBondContact O-N 2.73Å; A785-N788 PolarHBondContact O-N 2.97Å; A785-F849 HydrophobicContact CB-CD1 4.05Å; A785-F849 HydrophobicContact CB-CE1 4.48Å; A785-F918 HydrophobicContact CB-CD2 4.35Å
786	S	93.2	Very high	94	Very high	83 Å²	83	17.9 Å²	17.9	58%	0.58	10%	0.101	S	C	*	.	H	α-helix	trans	-66.2	-20.1	175.7	79.7	0	0	0	0	114.1	A782 F783 L784 N788	A782-S786 WeakPolarHBondContact O-CB 3.48Å; A782-S786 PolarHBondContact O-N 2.91Å; F783-S786 WeakPolarHBondContact O-CB 3.46Å; F783-S786 PolarHBondContact O-N 3.07Å; F783-S786 VanDerWaalsContact O-N 3.1Å; F783-S786 PolarHBondContact O-OG 3.03Å; L784-S786 VanDerWaalsContact C-N 3.32Å; L784-S786 PolarHBondContact O-N 3.31Å; S786-N788 VanDerWaalsContact C-N 3.33Å
787	K	89.9	Confident	93.7	Very high	84 Å²	84	17.9 Å²	17.9	37%	0.365	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	14	173.3	-65	-63.3	-171.8	173.2	0	112.4	L648 F783 L784 A785 C789	L648-K787 HydrophobicContact CD2-CB 3.6Å; L648-K787 HydrophobicContact CD2-CG 4.3Å; L648-K787 WeakPolarHBondContact O-CE 3.41Å; F783-K787 HydrophobicContact CD2-CG 4.49Å; F783-K787 HydrophobicContact CE1-CG 4.04Å; F783-K787 HydrophobicContact CE2-CG 4.05Å; F783-K787 HydrophobicContact CZ-CD 4.43Å; F783-K787 HydrophobicContact CZ-CG 3.82Å; F783-K787 WeakPolarHBondContact O-CG 3.45Å; F783-K787 PolarHBondContact O-N 2.77Å; L784-K787 CarbonylContact O-C 3.48Å; L784-K787 WeakPolarHBondContact O-CA 3.38Å; L784-K787 PolarHBondContact O-N 3.39Å; A785-K787 PolarHBondContact O-N 2.73Å; K787-C789 PolarHBondContact O-N 3.03Å
788	N	88.3	Confident	93.5	Very high	61 Å²	61	17.9 Å²	17.9	33%	0.326	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	34.3	-177.4	-67.9	-23.2	0	0	0	113.1	V560 V561 L784 A785 S786 F849	V560-N788 CarbonylContact C-O 3.56Å; V560-N788 WeakPolarHBondContact CA-O 3.49Å; V561-N788 HydrophobicContact CB-CB 4.11Å; V561-N788 PolarHBondContact N-O 3.48Å; V561-N788 WeakPolarHBondContact O-CB 3.36Å; L784-N788 PolarHBondContact O-N 2.91Å; A785-N788 PolarHBondContact O-N 2.97Å; S786-N788 VanDerWaalsContact C-N 3.33Å; N788-F849 HydrophobicContact CB-CZ 4.43Å
789	C	88.9	Confident	93.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	123.9	-178.1	-172.1	0	0	0	0	111.4	K559 L648 L784 K787	K559-C789 WeakPolarHBondContact O-CA 3.43Å; L648-C789 HydrophobicContact CD2-CB 3.58Å; L784-C789 CarbonylContact C-O 3.54Å; L784-C789 HydrophobicContact CB-CB 4.29Å; L784-C789 HydrophobicContact CD2-CB 4.36Å; L784-C789 WeakPolarHBondContact O-CB 3.5Å; L784-C789 PolarHBondContact O-N 2.8Å; K787-C789 PolarHBondContact O-N 3.03Å
790	I	90.6	Very high	93.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	126.3	174.8	-58.3	161.1	0	0	0	107.9	W558 K559 V561 Y569 Y571 R792 Y847 F849 D852	W558-I790 WeakPolarHBondContact CA-O 3.4Å; K559-I790 PolarHBondContact N-O 2.99Å; K559-I790 PolarHBondContact O-N 2.82Å; V561-I790 HydrophobicContact CG2-CD1 3.48Å; V561-I790 VanDerWaalsContact CG2-CD1 3.48Å; V561-I790 HydrophobicContact CG2-CG1 4.07Å; Y569-I790 HydrophobicContact CD1-CD1 4.25Å; Y571-I790 HydrophobicContact CE1-CD1 3.8Å; I790-R792 HydrophobicContact CB-CG 4.5Å; I790-R792 HydrophobicContact CG2-CG 3.68Å; I790-Y847 WeakPolarHBondContact CD1-O 3.06Å; I790-F849 HydrophobicContact CD1-CE1 4.41Å; I790-F849 HydrophobicContact CG1-CD1 3.65Å; I790-F849 HydrophobicContact CG1-CE1 3.58Å; I790-F849 HydrophobicContact CG1-CG 4.4Å; I790-F849 HydrophobicContact CG1-CZ 4.29Å; I790-D852 WeakPolarHBondContact CA-OD2 3.43Å; I790-D852 WeakPolarHBondContact CG2-OD2 3.32Å
791	H	91.3	Very high	93.1	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.093	C	C	.	.			trans	-79.2	-40.7	-174	-170.2	-54.5	0	0	0	113.3	Q557 W558 M781 D793 L794 I809 C810 D852	Q557-H791 CarbonylContact C-O 3.55Å; Q557-H791 WeakPolarHBondContact CB-O 3.2Å; W558-H791 AromaticContact CE2-CD2 3.77Å; W558-H791 AromaticContact CE2-NE2 3.83Å; W558-H791 AromaticContact CZ2-CD2 3.84Å; W558-H791 AromaticContact CZ2-NE2 3.8Å; W558-H791 AromaticContact NE1-CD2 3.36Å; W558-H791 PolarHBondContact NE1-CD2 3.47Å; W558-H791 AromaticContact NE1-CE1 3.42Å; W558-H791 PolarHBondContact NE1-CE1 2.89Å; W558-H791 AromaticContact NE1-CG 3.51Å; W558-H791 AromaticContact NE1-ND1 3.52Å; W558-H791 AromaticContact NE1-NE2 3.3Å; W558-H791 PolarHBondContact NE1-NE2 3.35Å; M781-H791 HydrophobicContact CE-CB 3.96Å; M781-H791 HydrophobicContact SD-CB 4.36Å; H791-D793 PolarHBondContact CE1-O 3.4Å; H791-D793 PolarHBondContact ND1-N 3.38Å; H791-D793 PolarHBondContact O-N 3.09Å; H791-L794 PolarHBondContact ND1-N 2.93Å; H791-I809 WeakPolarHBondContact CD2-CG2 3.35Å; H791-I809 VanDerWaalsContact NE2-CG2 3.32Å; H791-I809 WeakPolarHBondContact NE2-CG2 3.44Å; H791-C810 PolarHBondContact CE1-O 3.17Å; H791-C810 PolarHBondContact NE2-O 2.95Å; H791-C810 VanDerWaalsContact NE2-O 3.13Å; H791-D852 PolarHBondContact N-OD1 2.86Å; H791-D852 PolarHBondContact N-OD2 3.2Å
792	R	90.1	Very high	92.7	Very high	17 Å²	17	17.1 Å²	17.1	6%	0.064	10%	0.099	C	C	.	.	S	Bend	trans	66.6	-6.4	177.3	-56.2	-178	40.5	-133.7	6.2	117.8	Q557 K559 I790 Y847 D852	Q557-R792 HydrophobicContact CB-CB 4.34Å; Q557-R792 WeakPolarHBondContact O-CB 3.39Å; Q557-R792 WeakPolarHBondContact O-CD 3.14Å; Q557-R792 WeakPolarHBondContact O-CG 3.39Å; Q557-R792 PolarHBondContact O-NH1 2.86Å; K559-R792 VanDerWaalsContact CE-NH1 3.33Å; I790-R792 HydrophobicContact CB-CG 4.5Å; I790-R792 HydrophobicContact CG2-CG 3.68Å; R792-Y847 HydrophobicContact CB-CD1 3.98Å; R792-Y847 HydrophobicContact CB-CE1 4.29Å; R792-Y847 HydrophobicContact CG-CD1 3.68Å; R792-Y847 HydrophobicContact CG-CE1 4.41Å; R792-Y847 HydrophobicContact CG-CG 3.98Å; R792-D852 PolarHBondContact N-OD1 3.41Å
793	D	90.8	Very high	92.1	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.011	11%	0.107	C	C	.	.			trans	-147.4	40.9	-179.6	-168.8	22	0	0	0	110.9	Q557 H791 A795 R797 N798 R816 Y824 P833	Q557-D793 HydrophobicContact CB-CB 4.23Å; Q557-D793 HydrophobicContact CG-CB 4.01Å; H791-D793 PolarHBondContact CE1-O 3.4Å; H791-D793 PolarHBondContact ND1-N 3.38Å; H791-D793 PolarHBondContact O-N 3.09Å; D793-A795 PolarHBondContact O-N 3.1Å; D793-R797 IonicContact OD1-CZ 2.83Å; D793-R797 IonicContact OD1-NH2 3.64Å; D793-R797 PolarHBondContact OD1-NH2 3.47Å; D793-N798 PolarHBondContact O-ND2 2.64Å; D793-N798 PolarHBondContact OD2-ND2 2.73Å; D793-R816 IonicContact OD2-NH1 3.69Å; D793-Y824 PolarHBondContact OD1-OH 3.47Å; D793-Y824 PolarHBondContact OD2-OH 2.87Å; D793-P833 HydrophobicContact CB-CG 4.48Å; D793-P833 WeakPolarHBondContact OD1-CB 3.03Å; D793-P833 VanDerWaalsContact OD1-CG 3.3Å; D793-P833 WeakPolarHBondContact OD1-CG 3.46Å
794	L	95	Very high	91.6	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.118	C	C	.	.			trans	-71.6	119.8	177.8	-177.3	67.3	0	0	0	110.1	V777 M781 H791 I799 I809 Y856 F918	V777-L794 HydrophobicContact CG1-CD1 4.26Å; M781-L794 HydrophobicContact CE-CD2 3.98Å; M781-L794 HydrophobicContact CG-CD1 4.22Å; M781-L794 HydrophobicContact CG-CD2 3.7Å; M781-L794 HydrophobicContact SD-CD1 3.77Å; M781-L794 HydrophobicContact SD-CD2 3.77Å; M781-L794 HydrophobicContact SD-CG 4.3Å; H791-L794 PolarHBondContact ND1-N 2.93Å; L794-I799 HydrophobicContact CD1-CD1 3.9Å; L794-I809 HydrophobicContact CD1-CG2 4.29Å; L794-Y856 HydrophobicContact CD2-CD2 4.06Å; L794-Y856 HydrophobicContact CD2-CG 4.38Å; L794-F918 HydrophobicContact CD2-CZ 4.46Å
795	A	94.6	Very high	91.3	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-162	161.5	-178.1	0	0	0	0	0	110	D793 R797 N798 I799 W836	D793-A795 PolarHBondContact O-N 3.1Å; A795-R797 HydrophobicContact CB-CG 3.86Å; A795-R797 VanDerWaalsContact CB-CZ 3.48Å; A795-R797 VanDerWaalsContact CB-NH1 3.35Å; A795-R797 PolarHBondContact O-N 3.3Å; A795-R797 VanDerWaalsContact O-N 3.14Å; A795-N798 CarbonylContact O-C 3.59Å; A795-N798 WeakPolarHBondContact O-CA 3.46Å; A795-N798 PolarHBondContact O-N 3.38Å; A795-I799 PolarHBondContact O-N 3.49Å; A795-W836 HydrophobicContact CB-CD2 4.27Å; A795-W836 HydrophobicContact CB-CG 4.09Å; A795-W836 VanDerWaalsContact CB-NE1 3.34Å
796	A	95.1	Very high	91.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-58.6	-31.9	-178.3	0	0	0	0	0	113.2	L680 N798 I799 F859 E862	L680-A796 HydrophobicContact CB-CB 3.95Å; L680-A796 HydrophobicContact CD1-CB 4.43Å; L680-A796 PolarHBondContact N-O 3.47Å; A796-N798 PolarHBondContact O-N 3.49Å; A796-I799 PolarHBondContact O-N 3.46Å; A796-F859 HydrophobicContact CB-CD2 3.99Å; A796-F859 HydrophobicContact CB-CE2 4.14Å; A796-E862 HydrophobicContact CB-CB 4.06Å; A796-E862 PolarHBondContact N-OE2 3.1Å
797	R	91.7	Very high	91.6	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.008	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-62.5	-25.5	173.3	61.5	176.3	-179.1	-79.1	-9	113.8	L680 Y722 D793 A795 R816 Y824 W836	L680-R797 HydrophobicContact CB-CB 4.46Å; L680-R797 HydrophobicContact CD2-CB 4.06Å; Y722-R797 HydrophobicContact CE2-CB 4.29Å; D793-R797 IonicContact OD1-CZ 2.83Å; D793-R797 IonicContact OD1-NH2 3.64Å; D793-R797 PolarHBondContact OD1-NH2 3.47Å; A795-R797 HydrophobicContact CB-CG 3.86Å; A795-R797 VanDerWaalsContact CB-CZ 3.48Å; A795-R797 VanDerWaalsContact CB-NH1 3.35Å; A795-R797 PolarHBondContact O-N 3.3Å; A795-R797 VanDerWaalsContact O-N 3.14Å; R797-R816 VanDerWaalsContact CD-CZ 3.49Å; R797-R816 VanDerWaalsContact CD-NH1 3.32Å; R797-R816 PolarHBondContact O-NH2 3.49Å; R797-Y824 PolarHBondContact NE-OH 3.4Å; R797-Y824 VanDerWaalsContact NE-OH 3.17Å; R797-W836 VanDerWaalsContact NH1-CE2 3.27Å
798	N	93.1	Very high	91.9	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-99.9	13.6	-179.9	-81.5	-28.9	0	0	0	112.3	D793 A795 A796 C810 R816	D793-N798 PolarHBondContact O-ND2 2.64Å; D793-N798 PolarHBondContact OD2-ND2 2.73Å; A795-N798 CarbonylContact O-C 3.59Å; A795-N798 WeakPolarHBondContact O-CA 3.46Å; A795-N798 PolarHBondContact O-N 3.38Å; A796-N798 PolarHBondContact O-N 3.49Å; N798-C810 VanDerWaalsContact C-SG 3.53Å; N798-C810 WeakPolarHBondContact CB-O 3.16Å; N798-C810 PolarHBondContact O-N 3.12Å; N798-C810 PolarHBondContact O-SG 3.24Å; N798-R816 PolarHBondContact ND2-NH1 2.92Å; N798-R816 PolarHBondContact OD1-NH1 2.88Å; N798-R816 PolarHBondContact OD1-NH2 3.39Å
799	I	95.5	Very high	92.2	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	121.4	169.4	-51.8	-56.7	0	0	0	107.3	D678 L679 V777 L794 A795 A796 T807 I809 F859	D678-I799 CarbonylContact C-O 3.41Å; D678-I799 VanDerWaalsContact CA-O 3.32Å; D678-I799 WeakPolarHBondContact CA-O 3.49Å; L679-I799 HydrophobicContact CB-CB 3.93Å; L679-I799 HydrophobicContact CB-CG2 4.09Å; L679-I799 WeakPolarHBondContact CB-O 3.2Å; L679-I799 HydrophobicContact CD2-CB 4.12Å; L679-I799 HydrophobicContact CD2-CG2 3.8Å; L679-I799 PolarHBondContact N-O 2.99Å; V777-I799 HydrophobicContact CG1-CD1 3.84Å; V777-I799 HydrophobicContact CG2-CD1 3.89Å; V777-I799 HydrophobicContact CG2-CG1 4.09Å; V777-I799 HydrophobicContact CG2-CG2 3.86Å; L794-I799 HydrophobicContact CD1-CD1 3.9Å; A795-I799 PolarHBondContact O-N 3.49Å; A796-I799 PolarHBondContact O-N 3.46Å; I799-T807 HydrophobicContact CG2-CG2 4.19Å; I799-I809 HydrophobicContact CD1-CB 4.23Å; I799-I809 HydrophobicContact CD1-CG1 3.62Å; I799-I809 HydrophobicContact CD1-CG2 4.38Å; I799-F859 HydrophobicContact CG1-CD2 4.26Å; I799-F859 HydrophobicContact CG1-CE2 3.82Å; I799-F859 HydrophobicContact CG1-CZ 4.34Å
800	L	94.7	Very high	92.3	Very high	5 Å²	5	10.4 Å²	10.4	3%	0.026	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	161.9	170.1	-59.4	-168.3	0	0	0	111.4	V655 C674 G677 D678 M725 T807 K808 F812	V655-L800 HydrophobicContact CG2-CD1 4.23Å; C674-L800 HydrophobicContact CB-CB 3.55Å; C674-L800 HydrophobicContact CB-CD1 3.74Å; C674-L800 HydrophobicContact CB-CG 4.29Å; C674-L800 VanDerWaalsContact SG-CB 3.55Å; G677-L800 CarbonylContact O-C 3.49Å; G677-L800 VanDerWaalsContact O-CA 3.32Å; G677-L800 WeakPolarHBondContact O-CA 3.33Å; D678-L800 HydrophobicContact CB-CD2 3.92Å; M725-L800 HydrophobicContact CE-CD1 3.81Å; M725-L800 HydrophobicContact CE-CD2 3.66Å; M725-L800 HydrophobicContact CE-CG 4.41Å; M725-L800 HydrophobicContact SD-CD2 3.95Å; L800-T807 CarbonylContact O-C 3.48Å; L800-T807 WeakPolarHBondContact O-CA 3.4Å; L800-K808 HydrophobicContact CB-CB 4.33Å; L800-K808 PolarHBondContact N-O 2.8Å; L800-K808 PolarHBondContact O-N 2.66Å; L800-F812 HydrophobicContact CD1-CD2 4.09Å; L800-F812 HydrophobicContact CD1-CE2 3.21Å; L800-F812 HydrophobicContact CD1-CZ 3.72Å; L800-F812 HydrophobicContact CD2-CD2 4.22Å; L800-F812 HydrophobicContact CD2-CE2 4.15Å; L800-F812 HydrophobicContact CG-CD2 4.23Å; L800-F812 HydrophobicContact CG-CE2 3.73Å
801	L	93.7	Very high	91.7	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	127	180	-164.8	78.1	0	0	0	111.3	C674 C675 Y676 G677 F682 F773 R805 I806 T807	C674-L801 CarbonylContact C-O 3.53Å; C674-L801 WeakPolarHBondContact CB-O 3.28Å; C675-L801 PolarHBondContact N-O 3.01Å; Y676-L801 HydrophobicContact CD2-CD2 3.94Å; Y676-L801 HydrophobicContact CD2-CG 4.06Å; Y676-L801 HydrophobicContact CG-CD2 4.26Å; Y676-L801 PolarHBondContact N-O 3.09Å; Y676-L801 VanDerWaalsContact N-O 3.09Å; G677-L801 PolarHBondContact O-N 3.27Å; F682-L801 HydrophobicContact CD1-CD2 3.81Å; F682-L801 HydrophobicContact CD2-CD2 3.84Å; F682-L801 HydrophobicContact CE1-CD2 3.76Å; F682-L801 HydrophobicContact CE2-CD2 3.82Å; F682-L801 HydrophobicContact CG-CD2 3.85Å; F682-L801 HydrophobicContact CZ-CD2 3.77Å; F773-L801 HydrophobicContact CD1-CD1 4.28Å; F773-L801 HydrophobicContact CE1-CD1 3.79Å; F773-L801 HydrophobicContact CZ-CD1 4.17Å; F773-L801 HydrophobicContact CZ-CD2 4.29Å; L801-R805 VanDerWaalsContact CD1-C 3.47Å; L801-R805 HydrophobicContact CD1-CB 4.26Å; L801-R805 HydrophobicContact CD2-CB 4.39Å; L801-I806 WeakPolarHBondContact CA-O 3.36Å; L801-T807 HydrophobicContact CD1-CG2 3.86Å
802	T	90.2	Very high	90.2	Very high	22 Å²	22	11.3 Å²	11.3	14%	0.135	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	177.5	176.7	79.8	0	0	0	0	111.8	C674 Y676 R805 I806 K808	C674-T802 HydrophobicContact CB-CG2 4.03Å; Y676-T802 VanDerWaalsContact CD2-O 3.24Å; Y676-T802 WeakPolarHBondContact CD2-O 3.29Å; Y676-T802 VanDerWaalsContact CE2-O 3.31Å; Y676-T802 WeakPolarHBondContact CE2-O 3.27Å; T802-R805 WeakPolarHBondContact O-CA 3.48Å; T802-R805 PolarHBondContact O-N 2.67Å; T802-R805 VanDerWaalsContact O-N 3.11Å; T802-I806 PolarHBondContact N-O 2.84Å; T802-I806 PolarHBondContact O-N 2.77Å; T802-K808 HydrophobicContact CG2-CD 4.28Å; T802-K808 HydrophobicContact CG2-CG 3.59Å
803	H	84.7	Confident	88.8	Confident	83 Å²	83	10.7 Å²	10.7	38%	0.384	6%	0.062	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	142.1	170.3	-178.6	60.1	0	0	0	111.6	C675 I757 R805	C675-H803 PolarHBondContact SG-N 2.87Å; I757-H803 HydrophobicContact CG1-CB 4.43Å; H803-R805 VanDerWaalsContact C-N 3.26Å
804	G	85	Confident	87.4	Confident	36 Å²	36	10.6 Å²	10.6	37%	0.371	6%	0.061	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	18.6	-173.5	0	0	0	0	0	113.5	D760 I806	D760-G804 WeakPolarHBondContact OD2-CA 3.33Å; D760-G804 PolarHBondContact OD2-N 2.92Å; D760-G804 VanDerWaalsContact OD2-N 3.11Å; G804-I806 VanDerWaalsContact C-N 3.28Å; G804-I806 PolarHBondContact O-N 2.81Å
805	R	89.4	Confident	85.6	Confident	20 Å²	20	11 Å²	11	8%	0.075	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	42.5	-179.7	-46.1	178.8	177.6	-164.7	-15.8	113.5	D760 L763 A764 D769 F773 Q776 L801 T802 H803	D760-R805 PolarHBondContact O-NH2 2.85Å; D760-R805 IonicContact OD1-CZ 3.23Å; D760-R805 IonicContact OD1-NE 3.81Å; D760-R805 PolarHBondContact OD1-NE 2.87Å; D760-R805 IonicContact OD1-NH2 3.83Å; L763-R805 PolarHBondContact O-NH2 2.79Å; A764-R805 PolarHBondContact O-NH1 2.85Å; A764-R805 PolarHBondContact O-NH2 2.82Å; D769-R805 IonicContact OD1-CZ 3.72Å; D769-R805 IonicContact OD1-NH1 3.32Å; D769-R805 PolarHBondContact OD1-NH1 2.79Å; D769-R805 IonicContact OD2-NH1 2.71Å; D769-R805 PolarHBondContact OD2-NH1 2.01Å; F773-R805 HydrophobicContact CE1-CB 3.71Å; F773-R805 WeakPolarHBondContact CE1-O 3.39Å; F773-R805 HydrophobicContact CZ-CB 4.06Å; Q776-R805 PolarHBondContact NE2-O 3.49Å; Q776-R805 VanDerWaalsContact NE2-O 3.17Å; L801-R805 VanDerWaalsContact CD1-C 3.47Å; L801-R805 HydrophobicContact CD1-CB 4.26Å; L801-R805 HydrophobicContact CD2-CB 4.39Å; T802-R805 WeakPolarHBondContact O-CA 3.48Å; T802-R805 PolarHBondContact O-N 2.67Å; T802-R805 VanDerWaalsContact O-N 3.11Å; H803-R805 VanDerWaalsContact C-N 3.26Å
806	I	94	Very high	84	Confident	14 Å²	14	11.3 Å²	11.3	7%	0.072	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	123	177	-54.3	-64.2	0	0	0	110.1	M652 Q776 L801 T802 G804 L940	M652-I806 HydrophobicContact CG-CG2 4.06Å; Q776-I806 VanDerWaalsContact OE1-CA 3.27Å; L801-I806 WeakPolarHBondContact CA-O 3.36Å; T802-I806 PolarHBondContact N-O 2.84Å; T802-I806 PolarHBondContact O-N 2.77Å; G804-I806 VanDerWaalsContact C-N 3.28Å; G804-I806 PolarHBondContact O-N 2.81Å; I806-L940 HydrophobicContact CD1-CD1 3.89Å
807	T	96.7	Very high	82.3	Confident	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	143.9	-178.6	69.6	0	0	0	0	111	N653 F773 Q776 V777 I799 L800 L801	N653-T807 WeakPolarHBondContact CA-O 3.33Å; N653-T807 PolarHBondContact ND2-O 3.04Å; F773-T807 HydrophobicContact CB-CG2 4.05Å; F773-T807 HydrophobicContact CD1-CG2 3.61Å; F773-T807 HydrophobicContact CE1-CG2 4.42Å; F773-T807 HydrophobicContact CG-CG2 4.05Å; Q776-T807 HydrophobicContact CB-CG2 4.27Å; Q776-T807 WeakPolarHBondContact CB-OG1 3.43Å; V777-T807 HydrophobicContact CG2-CG2 4.29Å; I799-T807 HydrophobicContact CG2-CG2 4.19Å; L800-T807 CarbonylContact O-C 3.48Å; L800-T807 WeakPolarHBondContact O-CA 3.4Å; L801-T807 HydrophobicContact CD1-CG2 3.86Å
808	K	96	Very high	80.7	Confident	12 Å²	12	14.4 Å²	14.4	5%	0.052	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	109.6	-177.7	-60.5	-80.2	-177.1	167.7	0	109.7	M652 I654 V655 E672 L800 T802	M652-K808 VanDerWaalsContact O-CD 3.25Å; M652-K808 WeakPolarHBondContact O-CD 3.12Å; M652-K808 WeakPolarHBondContact O-CE 3.43Å; M652-K808 PolarHBondContact O-NZ 3.46Å; I654-K808 VanDerWaalsContact O-CD 3.28Å; I654-K808 WeakPolarHBondContact O-CD 3.23Å; V655-K808 HydrophobicContact CG2-CB 3.63Å; E672-K808 IonicContact OE1-NZ 3.47Å; E672-K808 PolarHBondContact OE1-NZ 2.89Å; E672-K808 IonicContact OE2-NZ 3.65Å; E672-K808 PolarHBondContact OE2-NZ 3Å; L800-K808 HydrophobicContact CB-CB 4.33Å; L800-K808 PolarHBondContact N-O 2.8Å; L800-K808 PolarHBondContact O-N 2.66Å; T802-K808 HydrophobicContact CG2-CD 4.28Å; T802-K808 HydrophobicContact CG2-CG 3.59Å
809	I	95.8	Very high	79	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	139.8	176.6	-58.4	163.3	0	0	0	110.2	W558 N653 I654 V655 V777 G780 M781 L784 H791 L794 I799	W558-I809 HydrophobicContact CZ2-CG2 4.4Å; N653-I809 WeakPolarHBondContact O-CG1 3.16Å; N653-I809 PolarHBondContact O-N 3.36Å; I654-I809 WeakPolarHBondContact CA-O 3.15Å; I654-I809 HydrophobicContact CG2-CB 4.4Å; V655-I809 PolarHBondContact N-O 2.93Å; V777-I809 HydrophobicContact CG1-CD1 4.16Å; V777-I809 HydrophobicContact CG1-CG1 4.22Å; G780-I809 VanDerWaalsContact C-CD1 3.46Å; M781-I809 HydrophobicContact CG-CD1 3.8Å; M781-I809 HydrophobicContact SD-CD1 3.88Å; M781-I809 HydrophobicContact SD-CG2 4.38Å; L784-I809 HydrophobicContact CD1-CG2 4.21Å; H791-I809 WeakPolarHBondContact CD2-CG2 3.35Å; H791-I809 VanDerWaalsContact NE2-CG2 3.32Å; H791-I809 WeakPolarHBondContact NE2-CG2 3.44Å; L794-I809 HydrophobicContact CD1-CG2 4.29Å; I799-I809 HydrophobicContact CD1-CB 4.23Å; I799-I809 HydrophobicContact CD1-CG1 3.62Å; I799-I809 HydrophobicContact CD1-CG2 4.38Å
810	C	90.5	Very high	77.3	Confident	5 Å²	5	24.8 Å²	24.8	3%	0.034	13%	0.132	C	C	.	.			trans	-156.5	169.8	-175.7	60.1	0	0	0	0	113	V655 H791 N798 F812	V655-C810 HydrophobicContact CB-CB 4.1Å; V655-C810 HydrophobicContact CG2-CB 3.6Å; H791-C810 PolarHBondContact CE1-O 3.17Å; H791-C810 PolarHBondContact NE2-O 2.95Å; H791-C810 VanDerWaalsContact NE2-O 3.13Å; N798-C810 VanDerWaalsContact C-SG 3.53Å; N798-C810 WeakPolarHBondContact CB-O 3.16Å; N798-C810 PolarHBondContact O-N 3.12Å; N798-C810 PolarHBondContact O-SG 3.24Å; C810-F812 HydrophobicContact CB-CD2 3.78Å; C810-F812 HydrophobicContact CB-CE2 3.47Å; C810-F812 VanDerWaalsContact CB-CE2 3.47Å; C810-F812 HydrophobicContact CB-CZ 4.45Å; C810-F812 WeakPolarHBondContact SG-CD2 3.48Å; C810-F812 WeakPolarHBondContact SG-CE2 3.1Å
811	D	77.7	Confident	75.8	Confident	7 Å²	7	24.9 Å²	24.9	4%	0.037	13%	0.132	C	C	.	.			trans	-122.3	86.9	168.6	178.8	2.2	0	0	0	110.5	Q557 K624 G813	Q557-D811 VanDerWaalsContact CB-OD2 3.3Å; Q557-D811 WeakPolarHBondContact CB-OD2 3.3Å; Q557-D811 PolarHBondContact N-OD2 3.32Å; Q557-D811 VanDerWaalsContact N-OD2 3.15Å; K624-D811 PolarHBondContact NZ-O 3.31Å; D811-G813 PolarHBondContact O-N 2.87Å; D811-G813 PolarHBondContact OD1-N 2.97Å
812	F	59.4	Low	74.5	Confident	13 Å²	13	28.3 Å²	28.3	6%	0.057	16%	0.156	C	C	.	.			trans	-84.7	25.2	175.5	-76.2	-72.5	0	0	0	113.8	V604 M725 L800 C810 L814 A815	V604-F812 HydrophobicContact CG1-CE1 4.16Å; V604-F812 HydrophobicContact CG2-CD1 3.6Å; V604-F812 HydrophobicContact CG2-CE1 3.65Å; M725-F812 HydrophobicContact SD-CD2 4.4Å; M725-F812 HydrophobicContact SD-CG 4.44Å; L800-F812 HydrophobicContact CD1-CD2 4.09Å; L800-F812 HydrophobicContact CD1-CE2 3.21Å; L800-F812 HydrophobicContact CD1-CZ 3.72Å; L800-F812 HydrophobicContact CD2-CD2 4.22Å; L800-F812 HydrophobicContact CD2-CE2 4.15Å; L800-F812 HydrophobicContact CG-CD2 4.23Å; L800-F812 HydrophobicContact CG-CE2 3.73Å; C810-F812 HydrophobicContact CB-CD2 3.78Å; C810-F812 HydrophobicContact CB-CE2 3.47Å; C810-F812 VanDerWaalsContact CB-CE2 3.47Å; C810-F812 HydrophobicContact CB-CZ 4.45Å; C810-F812 WeakPolarHBondContact SG-CD2 3.48Å; C810-F812 WeakPolarHBondContact SG-CE2 3.1Å; F812-L814 PolarHBondContact O-N 2.88Å; F812-A815 HydrophobicContact CB-CB 4.46Å; F812-A815 PolarHBondContact O-N 2.92Å
813	G	62.4	Low	73.3	Confident	3 Å²	3	28 Å²	28	3%	0.031	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-52.2	-31.8	-179.2	0	0	0	0	0	114.4	Y554 D811 A815 R816	Y554-G813 VanDerWaalsContact CE2-C 3.46Å; D811-G813 PolarHBondContact O-N 2.87Å; D811-G813 PolarHBondContact OD1-N 2.97Å; G813-A815 VanDerWaalsContact C-N 3.32Å; G813-A815 PolarHBondContact O-N 2.93Å; G813-R816 PolarHBondContact O-N 2.84Å
814	L	60.3	Low	72.5	Confident	1 Å²	1	25 Å²	25	1%	0.005	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-64.3	-30	174.8	-73.9	173.3	0	0	0	114.8	Y554 F601 G602 K624 L626 L638 F812 R816	Y554-L814 HydrophobicContact CD1-CD2 3.27Å; Y554-L814 HydrophobicContact CD1-CG 3.89Å; Y554-L814 HydrophobicContact CD2-CD2 4.06Å; Y554-L814 HydrophobicContact CD2-CG 4.46Å; Y554-L814 HydrophobicContact CE1-CD1 4.02Å; Y554-L814 HydrophobicContact CE1-CD2 3.37Å; Y554-L814 HydrophobicContact CE1-CG 3.4Å; Y554-L814 HydrophobicContact CE2-CD2 4.17Å; Y554-L814 HydrophobicContact CE2-CG 4.07Å; Y554-L814 HydrophobicContact CG-CD2 3.64Å; Y554-L814 HydrophobicContact CG-CG 4.39Å; F601-L814 HydrophobicContact CB-CD2 3.67Å; F601-L814 HydrophobicContact CG-CD2 4.48Å; G602-L814 PolarHBondContact N-O 2.84Å; K624-L814 HydrophobicContact CD-CD1 4.07Å; K624-L814 HydrophobicContact CG-CD1 4.32Å; L626-L814 HydrophobicContact CD2-CD1 4.25Å; L626-L814 HydrophobicContact CD2-CD2 3.67Å; L638-L814 HydrophobicContact CB-CD1 4.13Å; L638-L814 HydrophobicContact CD1-CD1 3.56Å; L638-L814 HydrophobicContact CG-CD1 4.37Å; F812-L814 PolarHBondContact O-N 2.88Å; L814-R816 VanDerWaalsContact C-N 3.32Å
815	A	57.2	Low	71.8	Confident	8 Å²	8	25 Å²	25	7%	0.066	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-90.6	3.6	-176.7	0	0	0	0	0	112.8	A598 G599 V604 F812 G813	A598-A815 CarbonylContact C-O 3.58Å; G599-A815 VanDerWaalsContact CA-O 3.25Å; G599-A815 WeakPolarHBondContact CA-O 3.31Å; G599-A815 PolarHBondContact N-O 2.9Å; G599-A815 VanDerWaalsContact N-O 3.08Å; V604-A815 HydrophobicContact CG2-CB 3.82Å; F812-A815 HydrophobicContact CB-CB 4.46Å; F812-A815 PolarHBondContact O-N 2.92Å; G813-A815 VanDerWaalsContact C-N 3.32Å; G813-A815 PolarHBondContact O-N 2.93Å
816	R	61.1	Low	70.6	Confident	6 Å²	6	28.2 Å²	28.2	2%	0.023	15%	0.154	C	C	.	.	S	Bend	trans	-101.4	142.3	177.8	-66.3	-175.4	179.7	141.6	11.5	111.9	G599 A600 Y722 D793 R797 N798 G813 L814 I818 Y824	G599-R816 VanDerWaalsContact CA-O 3.28Å; G599-R816 WeakPolarHBondContact CA-O 3.24Å; A600-R816 PolarHBondContact N-O 2.87Å; Y722-R816 HydrophobicContact CE2-CG 4.25Å; Y722-R816 PolarHBondContact OH-NE 2.81Å; Y722-R816 PolarHBondContact OH-NH2 3.2Å; D793-R816 IonicContact OD2-NH1 3.69Å; R797-R816 VanDerWaalsContact CD-CZ 3.49Å; R797-R816 VanDerWaalsContact CD-NH1 3.32Å; R797-R816 PolarHBondContact O-NH2 3.49Å; N798-R816 PolarHBondContact ND2-NH1 2.92Å; N798-R816 PolarHBondContact OD1-NH1 2.88Å; N798-R816 PolarHBondContact OD1-NH2 3.39Å; G813-R816 PolarHBondContact O-N 2.84Å; L814-R816 VanDerWaalsContact C-N 3.32Å; R816-I818 VanDerWaalsContact C-N 3.26Å; R816-I818 HydrophobicContact CB-CG1 4.05Å; R816-I818 PolarHBondContact O-N 3.41Å; R816-I818 VanDerWaalsContact O-N 3.17Å; R816-Y824 PolarHBondContact NH1-OH 2.97Å
817	D	58.8	Low	69.1	Low	50 Å²	50	31.8 Å²	31.8	27%	0.267	17%	0.169	S	C	.	.			trans	-84.9	78.7	162.9	-162.6	-10.6	0	0	0	109.3	K819 N820 D821	D817-K819 PolarHBondContact O-N 3.33Å; D817-K819 VanDerWaalsContact OD1-CB 3.29Å; D817-K819 WeakPolarHBondContact OD1-CB 3.36Å; D817-K819 PolarHBondContact OD1-N 3.28Å; D817-K819 VanDerWaalsContact OD1-N 3.17Å; D817-N820 PolarHBondContact O-N 2.87Å; D817-D821 PolarHBondContact O-N 3.1Å
818	I	59.2	Low	67.4	Low	17 Å²	17	34.7 Å²	34.7	9%	0.087	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-10.6	-179.8	-34.7	-179	0	0	0	111.1	F601 R816 N820 Y824 R831	F601-I818 HydrophobicContact CE2-CD1 3.82Å; F601-I818 HydrophobicContact CE2-CG1 4.07Å; R816-I818 VanDerWaalsContact C-N 3.26Å; R816-I818 HydrophobicContact CB-CG1 4.05Å; R816-I818 PolarHBondContact O-N 3.41Å; R816-I818 VanDerWaalsContact O-N 3.17Å; I818-N820 VanDerWaalsContact C-N 3.32Å; I818-Y824 HydrophobicContact CG2-CD1 3.89Å; I818-Y824 HydrophobicContact CG2-CD2 3.68Å; I818-Y824 HydrophobicContact CG2-CE1 4.47Å; I818-Y824 HydrophobicContact CG2-CE2 4.28Å; I818-Y824 HydrophobicContact CG2-CG 3.46Å; I818-Y824 VanDerWaalsContact CG2-CG 3.46Å; I818-R831 HydrophobicContact CG2-CB 3.79Å; I818-R831 HydrophobicContact CG2-CG 4.18Å; I818-R831 WeakPolarHBondContact O-CD 3.46Å; I818-R831 VanDerWaalsContact O-CZ 3.24Å; I818-R831 PolarHBondContact O-NE 3.39Å; I818-R831 PolarHBondContact O-NH1 3.37Å
819	K	57.1	Low	65.5	Low	123 Å²	123	38.7 Å²	38.7	54%	0.535	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-33.1	173.9	-64.1	-177.9	176.5	-179.6	0	113.3	D817 R831	D817-K819 PolarHBondContact O-N 3.33Å; D817-K819 VanDerWaalsContact OD1-CB 3.29Å; D817-K819 WeakPolarHBondContact OD1-CB 3.36Å; D817-K819 PolarHBondContact OD1-N 3.28Å; D817-K819 VanDerWaalsContact OD1-N 3.17Å; K819-R831 VanDerWaalsContact CA-CZ 3.44Å
820	N	60	Low	63.9	Low	95 Å²	95	40.6 Å²	40.6	51%	0.508	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-6.5	-176.2	-67.9	9.2	0	0	0	112.7	D817 I818 S822	D817-N820 PolarHBondContact O-N 2.87Å; I818-N820 VanDerWaalsContact C-N 3.32Å; N820-S822 PolarHBondContact O-N 3.18Å; N820-S822 VanDerWaalsContact O-N 3.14Å
821	D	62.3	Low	62.9	Low	7 Å²	7	42.8 Å²	42.8	4%	0.037	24%	0.244	C	C	.	.			trans	-72.3	107	179.7	-165.6	-19.9	0	0	0	111.1	D817 N823 Y824	D817-D821 PolarHBondContact O-N 3.1Å; D821-N823 PolarHBondContact O-N 3.39Å; D821-N823 VanDerWaalsContact O-N 3.07Å; D821-N823 WeakPolarHBondContact OD1-CB 3.41Å; D821-N823 PolarHBondContact OD1-N 2.82Å; D821-N823 PolarHBondContact OD1-ND2 2.82Å; D821-Y824 HydrophobicContact CB-CD2 3.94Å; D821-Y824 PolarHBondContact O-N 3.25Å; D821-Y824 VanDerWaalsContact O-N 3.07Å; D821-Y824 WeakPolarHBondContact OD2-CE2 3.3Å
822	S	67.5	Low	62.9	Low	72 Å²	72	43.5 Å²	43.5	50%	0.503	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-14.7	178.7	58.3	0	0	0	0	113.6	N720 N820 Y824	N720-S822 PolarHBondContact OD1-OG 3.08Å; N820-S822 PolarHBondContact O-N 3.18Å; N820-S822 VanDerWaalsContact O-N 3.14Å; S822-Y824 VanDerWaalsContact C-N 3.27Å; S822-Y824 PolarHBondContact O-N 3.47Å
823	N	64.3	Low	64.2	Low	17 Å²	17	43 Å²	43	9%	0.091	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-13.5	176.5	-59	-58.7	0	0	0	113.2	D821 W836	D821-N823 PolarHBondContact O-N 3.39Å; D821-N823 VanDerWaalsContact O-N 3.07Å; D821-N823 WeakPolarHBondContact OD1-CB 3.41Å; D821-N823 PolarHBondContact OD1-N 2.82Å; D821-N823 PolarHBondContact OD1-ND2 2.82Å; N823-W836 HydrophobicContact CB-CH2 3.98Å; N823-W836 HydrophobicContact CB-CZ3 3.78Å; N823-W836 WeakPolarHBondContact OD1-CH2 3.45Å
824	Y	68.6	Low	65.6	Low	18 Å²	18	43 Å²	43	7%	0.071	25%	0.245	C	C	.	.			trans	-114.6	133.2	-179.7	-66.7	-97	0	0	0	111.9	D793 R797 R816 I818 D821 S822 R831 L832 P833	D793-Y824 PolarHBondContact OD1-OH 3.47Å; D793-Y824 PolarHBondContact OD2-OH 2.87Å; R797-Y824 PolarHBondContact NE-OH 3.4Å; R797-Y824 VanDerWaalsContact NE-OH 3.17Å; R816-Y824 PolarHBondContact NH1-OH 2.97Å; I818-Y824 HydrophobicContact CG2-CD1 3.89Å; I818-Y824 HydrophobicContact CG2-CD2 3.68Å; I818-Y824 HydrophobicContact CG2-CE1 4.47Å; I818-Y824 HydrophobicContact CG2-CE2 4.28Å; I818-Y824 HydrophobicContact CG2-CG 3.46Å; I818-Y824 VanDerWaalsContact CG2-CG 3.46Å; D821-Y824 HydrophobicContact CB-CD2 3.94Å; D821-Y824 PolarHBondContact O-N 3.25Å; D821-Y824 VanDerWaalsContact O-N 3.07Å; D821-Y824 WeakPolarHBondContact OD2-CE2 3.3Å; S822-Y824 VanDerWaalsContact C-N 3.27Å; S822-Y824 PolarHBondContact O-N 3.47Å; Y824-R831 HydrophobicContact CD1-CB 4.37Å; Y824-L832 WeakPolarHBondContact CA-O 3.33Å; Y824-P833 HydrophobicContact CD1-CB 4.14Å; Y824-P833 HydrophobicContact CE1-CB 3.85Å; Y824-P833 HydrophobicContact CE1-CG 4.25Å
825	V	69.2	Low	67.2	Low	36 Å²	36	44 Å²	44	22%	0.218	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	135.7	175.4	-174.8	0	0	0	0	109.7	K827 R831 L832 V834 V876	V825-K827 PolarHBondContact O-N 2.74Å; V825-R831 WeakPolarHBondContact O-CA 3.25Å; V825-L832 PolarHBondContact N-O 2.98Å; V825-L832 PolarHBondContact O-N 2.83Å; V825-V834 HydrophobicContact CB-CG2 3.85Å; V825-V834 HydrophobicContact CG2-CB 4.38Å; V825-V834 HydrophobicContact CG2-CG2 4.03Å; V825-V876 HydrophobicContact CG2-CB 3.65Å; V825-V876 HydrophobicContact CG2-CG1 3.68Å; V825-V876 HydrophobicContact CG2-CG2 4.09Å
826	V	65.1	Low	69	Low	88 Å²	88	43.8 Å²	43.8	53%	0.533	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	114	173.9	-177.6	0	0	0	0	108.5	R831	V826-R831 HydrophobicContact CG2-CG 3.86Å
827	K	61.5	Low	70.6	Confident	89 Å²	89	43.8 Å²	43.8	39%	0.387	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	107.1	172.3	-166	175.6	179.7	178.5	0	108	V825 N829 A830 L832 I842	V825-K827 PolarHBondContact O-N 2.74Å; K827-N829 PolarHBondContact O-N 2.83Å; K827-A830 PolarHBondContact N-O 3.47Å; K827-A830 PolarHBondContact O-N 2.72Å; K827-L832 HydrophobicContact CB-CD1 3.9Å; K827-L832 HydrophobicContact CD-CD1 4.09Å; K827-I842 PolarHBondContact NZ-O 3.2Å
828	G	62.3	Low	72.4	Confident	61 Å²	61	41.4 Å²	41.4	63%	0.629	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.8	-127.9	-168.7	0	0	0	0	0	111.4
829	N	56.2	Low	74	Confident	96 Å²	96	41.5 Å²	41.5	51%	0.513	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-0.6	179.3	-63.3	-0.3	0	0	0	113.2	L549 K827	L549-N829 PolarHBondContact O-OD1 3.37Å; L549-N829 VanDerWaalsContact O-OD1 3.12Å; K827-N829 PolarHBondContact O-N 2.83Å
830	A	61.4	Low	75.7	Confident	40 Å²	40	36.7 Å²	36.7	33%	0.331	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	149.1	-178	0	0	0	0	0	111.5	K827 L832	K827-A830 PolarHBondContact N-O 3.47Å; K827-A830 PolarHBondContact O-N 2.72Å; A830-L832 HydrophobicContact CB-CD2 4.21Å; A830-L832 HydrophobicContact CB-CG 4.45Å
831	R	68.8	Low	77.2	Confident	52 Å²	52	32.3 Å²	32.3	20%	0.196	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	121.2	168.3	-82.1	-159.1	179.1	106.7	2.2	109.4	I818 K819 Y824 V825 V826	I818-R831 HydrophobicContact CG2-CB 3.79Å; I818-R831 HydrophobicContact CG2-CG 4.18Å; I818-R831 WeakPolarHBondContact O-CD 3.46Å; I818-R831 VanDerWaalsContact O-CZ 3.24Å; I818-R831 PolarHBondContact O-NE 3.39Å; I818-R831 PolarHBondContact O-NH1 3.37Å; K819-R831 VanDerWaalsContact CA-CZ 3.44Å; Y824-R831 HydrophobicContact CD1-CB 4.37Å; V825-R831 WeakPolarHBondContact O-CA 3.25Å; V826-R831 HydrophobicContact CG2-CG 3.86Å
832	L	77.7	Confident	78.5	Confident	21 Å²	21	32.3 Å²	32.3	11%	0.11	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	133.9	-168.5	-64.5	-178.5	0	0	0	110.5	Y824 V825 K827 A830 V834 M837	Y824-L832 WeakPolarHBondContact CA-O 3.33Å; V825-L832 PolarHBondContact N-O 2.98Å; V825-L832 PolarHBondContact O-N 2.83Å; K827-L832 HydrophobicContact CB-CD1 3.9Å; K827-L832 HydrophobicContact CD-CD1 4.09Å; A830-L832 HydrophobicContact CB-CD2 4.21Å; A830-L832 HydrophobicContact CB-CG 4.45Å; L832-V834 HydrophobicContact CB-CG2 3.99Å; L832-V834 PolarHBondContact O-N 2.97Å; L832-M837 HydrophobicContact CB-SD 3.71Å; L832-M837 HydrophobicContact CD1-CE 4.3Å; L832-M837 HydrophobicContact CD1-SD 4.42Å; L832-M837 HydrophobicContact CD2-SD 4.37Å; L832-M837 HydrophobicContact CG-SD 4.38Å
833	P	88.4	Confident	79.6	Confident	2 Å²	2	32.5 Å²	32.5	1%	0.013	18%	0.184	C	C	.	.			trans	-78	62.3	176.6	34.7	-37.4	0	0	0	110.5	D793 Y824 K835 W836 M837	D793-P833 HydrophobicContact CB-CG 4.48Å; D793-P833 WeakPolarHBondContact OD1-CB 3.03Å; D793-P833 VanDerWaalsContact OD1-CG 3.3Å; D793-P833 WeakPolarHBondContact OD1-CG 3.46Å; Y824-P833 HydrophobicContact CD1-CB 4.14Å; Y824-P833 HydrophobicContact CE1-CB 3.85Å; Y824-P833 HydrophobicContact CE1-CG 4.25Å; P833-K835 PolarHBondContact O-N 2.86Å; P833-W836 HydrophobicContact CB-CE3 4.18Å; P833-W836 PolarHBondContact O-N 3.13Å; P833-M837 HydrophobicContact CG-CG 4.11Å; P833-M837 HydrophobicContact CG-SD 4.35Å; P833-M837 PolarHBondContact O-N 2.78Å
834	V	91	Very high	80.6	Confident	3 Å²	3	37.2 Å²	37.2	2%	0.018	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-52.6	-36.7	-162.6	176.4	0	0	0	0	113.6	V825 L832 W836 M837 I842 V876 F880 Y881	V825-V834 HydrophobicContact CB-CG2 3.85Å; V825-V834 HydrophobicContact CG2-CB 4.38Å; V825-V834 HydrophobicContact CG2-CG2 4.03Å; L832-V834 HydrophobicContact CB-CG2 3.99Å; L832-V834 PolarHBondContact O-N 2.97Å; V834-W836 PolarHBondContact O-N 2.85Å; V834-M837 PolarHBondContact O-N 3.16Å; V834-I842 HydrophobicContact CG1-CD1 4.14Å; V834-I842 HydrophobicContact CG1-CG1 4.42Å; V834-V876 HydrophobicContact CB-CG1 3.91Å; V834-V876 HydrophobicContact CB-CG2 4.39Å; V834-V876 HydrophobicContact CG1-CG1 3.58Å; V834-V876 HydrophobicContact CG1-CG2 4.49Å; V834-V876 HydrophobicContact CG2-CG1 4.31Å; V834-F880 HydrophobicContact CG1-CD1 4.22Å; V834-F880 HydrophobicContact CG1-CE1 3.78Å; V834-Y881 HydrophobicContact CG1-CE1 3.74Å
835	K	94.3	Very high	81.3	Confident	24 Å²	24	40.5 Å²	40.5	10%	0.104	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-66.7	-18	178.3	-68.4	-174.1	168	-161.9	0	114.5	P833 P870 Y871 M874 V876 F880	P833-K835 PolarHBondContact O-N 2.86Å; K835-P870 HydrophobicContact CB-CB 4.39Å; K835-P870 WeakPolarHBondContact CD-O 3.29Å; K835-P870 PolarHBondContact NZ-O 2.8Å; K835-Y871 HydrophobicContact CB-CD2 4.06Å; K835-Y871 HydrophobicContact CB-CE2 4.42Å; K835-Y871 HydrophobicContact CD-CD2 4.42Å; K835-Y871 HydrophobicContact CG-CD2 4.13Å; K835-Y871 PolarHBondContact NZ-O 2.03Å; K835-Y871 WeakPolarHBondContact O-CE2 3.26Å; K835-M874 WeakPolarHBondContact CE-O 3.4Å; K835-M874 PolarHBondContact NZ-O 2.89Å; K835-V876 HydrophobicContact CD-CG2 4.33Å; K835-V876 HydrophobicContact CG-CG2 3.71Å; K835-F880 HydrophobicContact CG-CE2 4.17Å; K835-F880 HydrophobicContact CG-CZ 3.97Å
836	W	95.3	Very high	82.1	Confident	3 Å²	3	41.4 Å²	41.4	1%	0.011	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-100.9	-12.1	177.5	-70.4	-100.1	0	0	0	113.1	A795 R797 N823 P833 V834 S855 I858 E862 P870	A795-W836 HydrophobicContact CB-CD2 4.27Å; A795-W836 HydrophobicContact CB-CG 4.09Å; A795-W836 VanDerWaalsContact CB-NE1 3.34Å; R797-W836 VanDerWaalsContact NH1-CE2 3.27Å; N823-W836 HydrophobicContact CB-CH2 3.98Å; N823-W836 HydrophobicContact CB-CZ3 3.78Å; N823-W836 WeakPolarHBondContact OD1-CH2 3.45Å; P833-W836 HydrophobicContact CB-CE3 4.18Å; P833-W836 PolarHBondContact O-N 3.13Å; V834-W836 PolarHBondContact O-N 2.85Å; W836-S855 WeakPolarHBondContact O-CA 3.27Å; W836-S855 WeakPolarHBondContact O-CB 3.46Å; W836-S855 PolarHBondContact O-OG 2.78Å; W836-I858 HydrophobicContact CD2-CG2 4.3Å; W836-I858 HydrophobicContact CG-CB 4.42Å; W836-I858 HydrophobicContact CG-CG2 3.85Å; W836-E862 HydrophobicContact CZ2-CG 4.42Å; W836-E862 VanDerWaalsContact CZ2-OE1 3.29Å; W836-E862 WeakPolarHBondContact CZ2-OE1 3.26Å; W836-E862 PolarHBondContact NE1-OE2 2.82Å; W836-P870 HydrophobicContact CH2-CG 4.12Å; W836-P870 VanDerWaalsContact CZ2-CD 3.48Å; W836-P870 HydrophobicContact CZ2-CG 3.51Å
837	M	94.1	Very high	83.1	Confident	5 Å²	5	38.2 Å²	38.2	3%	0.025	22%	0.218	C	C	.	.	S	Bend	trans	-82.6	144	-172.5	-69.9	175.2	61.8	0	0	111.9	L832 P833 V834 S841 I842 Y847 W854	L832-M837 HydrophobicContact CB-SD 3.71Å; L832-M837 HydrophobicContact CD1-CE 4.3Å; L832-M837 HydrophobicContact CD1-SD 4.42Å; L832-M837 HydrophobicContact CD2-SD 4.37Å; L832-M837 HydrophobicContact CG-SD 4.38Å; P833-M837 HydrophobicContact CG-CG 4.11Å; P833-M837 HydrophobicContact CG-SD 4.35Å; P833-M837 PolarHBondContact O-N 2.78Å; V834-M837 PolarHBondContact O-N 3.16Å; M837-S841 WeakPolarHBondContact CE-O 3.32Å; M837-I842 HydrophobicContact CB-CD1 4.09Å; M837-I842 HydrophobicContact CB-CG1 3.58Å; M837-I842 HydrophobicContact CE-CG1 4.29Å; M837-I842 WeakPolarHBondContact O-CD1 3.26Å; M837-Y847 HydrophobicContact CE-CE1 4.01Å; M837-Y847 WeakPolarHBondContact CE-OH 3.33Å; M837-W854 PolarHBondContact O-NE1 3.04Å
838	A	95.6	Very high	84.4	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.202	C	C	.	.			trans	-68.9	154.6	172.1	0	0	0	0	0	111.6	E840 S841 I842 W854	A838-E840 VanDerWaalsContact C-N 3.3Å; A838-E840 VanDerWaalsContact CB-CD 3.43Å; A838-E840 WeakPolarHBondContact CB-OE1 3.46Å; A838-E840 WeakPolarHBondContact CB-OE2 3.24Å; A838-E840 PolarHBondContact O-N 2.81Å; A838-S841 WeakPolarHBondContact O-CA 3.48Å; A838-S841 WeakPolarHBondContact O-CB 3.06Å; A838-S841 PolarHBondContact O-N 2.76Å; A838-I842 WeakPolarHBondContact O-CG1 3.35Å; A838-I842 PolarHBondContact O-N 2.85Å; A838-W854 HydrophobicContact CB-CB 3.7Å; A838-W854 HydrophobicContact CB-CD2 4.01Å; A838-W854 HydrophobicContact CB-CE3 4.41Å; A838-W854 HydrophobicContact CB-CG 3.68Å
839	P	94.3	Very high	85.9	Confident	20 Å²	20	32.6 Å²	32.6	13%	0.13	18%	0.177	C	C	.	.	H	α-helix	trans	-54	-43.6	179.5	-27.2	35.7	0	0	0	113	S841 I842 F843 W854 I884	P839-S841 VanDerWaalsContact C-N 3.28Å; P839-S841 PolarHBondContact O-N 2.79Å; P839-I842 PolarHBondContact O-N 2.78Å; P839-I842 VanDerWaalsContact O-N 3.14Å; P839-F843 HydrophobicContact CB-CD2 4.11Å; P839-F843 HydrophobicContact CB-CE2 4.16Å; P839-F843 WeakPolarHBondContact O-CB 3.36Å; P839-F843 WeakPolarHBondContact O-CD2 3.31Å; P839-F843 PolarHBondContact O-N 2.87Å; P839-W854 HydrophobicContact CG-CE3 4.4Å; P839-W854 HydrophobicContact CG-CH2 3.47Å; P839-W854 VanDerWaalsContact CG-CH2 3.47Å; P839-W854 HydrophobicContact CG-CZ2 4.09Å; P839-W854 HydrophobicContact CG-CZ3 3.68Å; P839-I884 HydrophobicContact CG-CG2 4.12Å
840	E	92.7	Very high	87.8	Confident	22 Å²	22	30 Å²	30	10%	0.103	16%	0.162	C	C	.	.	H	α-helix	trans	-65	-30.2	176.9	69.9	-78.7	-175.1	0	0	112.8	A838 N844 C845 V846 P912 R915	A838-E840 VanDerWaalsContact C-N 3.3Å; A838-E840 VanDerWaalsContact CB-CD 3.43Å; A838-E840 WeakPolarHBondContact CB-OE1 3.46Å; A838-E840 WeakPolarHBondContact CB-OE2 3.24Å; A838-E840 PolarHBondContact O-N 2.81Å; E840-N844 CarbonylContact O-C 3.55Å; E840-N844 VanDerWaalsContact O-CA 3.3Å; E840-N844 WeakPolarHBondContact O-CA 3.49Å; E840-N844 VanDerWaalsContact O-CB 3.29Å; E840-N844 WeakPolarHBondContact O-CB 3.47Å; E840-N844 PolarHBondContact O-N 2.85Å; E840-C845 PolarHBondContact O-N 2.9Å; E840-C845 VanDerWaalsContact O-N 3.08Å; E840-V846 HydrophobicContact CB-CB 4.34Å; E840-V846 HydrophobicContact CG-CB 4.28Å; E840-V846 HydrophobicContact CG-CG1 4.39Å; E840-V846 PolarHBondContact O-N 3.29Å; E840-V846 VanDerWaalsContact O-N 3.1Å; E840-P912 HydrophobicContact CG-CG 4.22Å; E840-R915 IonicContact OE1-CZ 3.31Å; E840-R915 IonicContact OE1-NH1 2.67Å; E840-R915 PolarHBondContact OE1-NH1 2.75Å; E840-R915 IonicContact OE1-NH2 2.66Å; E840-R915 PolarHBondContact OE1-NH2 3.4Å; E840-R915 IonicContact OE2-CZ 2.76Å; E840-R915 IonicContact OE2-NH1 2.92Å; E840-R915 IonicContact OE2-NH2 2.78Å; E840-R915 PolarHBondContact OE2-NH2 2.55Å
841	S	91.2	Very high	89.4	Confident	3 Å²	3	28.2 Å²	28.2	2%	0.021	15%	0.147	C	C	.	.	H	α-helix	trans	-74.3	-35.8	172.7	-50.6	0	0	0	0	111.9	M837 A838 P839 C845 V846 S851	M837-S841 WeakPolarHBondContact CE-O 3.32Å; A838-S841 WeakPolarHBondContact O-CA 3.48Å; A838-S841 WeakPolarHBondContact O-CB 3.06Å; A838-S841 PolarHBondContact O-N 2.76Å; P839-S841 VanDerWaalsContact C-N 3.28Å; P839-S841 PolarHBondContact O-N 2.79Å; S841-C845 WeakPolarHBondContact O-CA 3.42Å; S841-C845 PolarHBondContact O-N 2.86Å; S841-V846 WeakPolarHBondContact CA-O 3.49Å; S841-V846 WeakPolarHBondContact CB-O 3Å; S841-V846 PolarHBondContact N-O 3.29Å; S841-V846 PolarHBondContact OG-O 3.45Å; S841-S851 WeakPolarHBondContact OG-CB 3.02Å
842	I	89.6	Confident	90.7	Very high	6 Å²	6	25.8 Å²	25.8	3%	0.031	14%	0.138	C	C	.	.	H	α-helix	trans	-72.2	-46.5	179.3	-66.3	170.1	0	0	0	111.5	K827 V834 M837 A838 P839 Y881 I884	K827-I842 PolarHBondContact NZ-O 3.2Å; V834-I842 HydrophobicContact CG1-CD1 4.14Å; V834-I842 HydrophobicContact CG1-CG1 4.42Å; M837-I842 HydrophobicContact CB-CD1 4.09Å; M837-I842 HydrophobicContact CB-CG1 3.58Å; M837-I842 HydrophobicContact CE-CG1 4.29Å; M837-I842 WeakPolarHBondContact O-CD1 3.26Å; A838-I842 WeakPolarHBondContact O-CG1 3.35Å; A838-I842 PolarHBondContact O-N 2.85Å; P839-I842 PolarHBondContact O-N 2.78Å; P839-I842 VanDerWaalsContact O-N 3.14Å; I842-Y881 HydrophobicContact CG2-CD1 3.66Å; I842-Y881 HydrophobicContact CG2-CE1 3.63Å; I842-I884 HydrophobicContact CD1-CG2 4.3Å
843	F	89.6	Confident	91.7	Very high	76 Å²	76	25 Å²	25	33%	0.333	13%	0.134	S	C	.	.	H	α-helix	trans	-98.5	-32.7	-169.3	-58.6	-62	0	0	0	113.5	P839 Y881 I884 K885	P839-F843 HydrophobicContact CB-CD2 4.11Å; P839-F843 HydrophobicContact CB-CE2 4.16Å; P839-F843 WeakPolarHBondContact O-CB 3.36Å; P839-F843 WeakPolarHBondContact O-CD2 3.31Å; P839-F843 PolarHBondContact O-N 2.87Å; F843-Y881 HydrophobicContact CE1-CD1 4.15Å; F843-Y881 HydrophobicContact CZ-CD1 4.49Å; F843-Y881 WeakPolarHBondContact CZ-O 3.31Å; F843-I884 HydrophobicContact CE2-CG2 4.29Å; F843-K885 HydrophobicContact CE2-CB 4.01Å; F843-K885 HydrophobicContact CE2-CG 4.41Å; F843-K885 HydrophobicContact CZ-CB 3.84Å; F843-K885 HydrophobicContact CZ-CG 4.47Å
844	N	86.5	Confident	92.1	Very high	116 Å²	116	24.9 Å²	24.9	62%	0.62	13%	0.133	S	C	*	.	S	Bend	trans	-113.8	-1.9	-175.9	-53.4	90.6	0	0	0	113.2	E840 V846	E840-N844 CarbonylContact O-C 3.55Å; E840-N844 VanDerWaalsContact O-CA 3.3Å; E840-N844 WeakPolarHBondContact O-CA 3.49Å; E840-N844 VanDerWaalsContact O-CB 3.29Å; E840-N844 WeakPolarHBondContact O-CB 3.47Å; E840-N844 PolarHBondContact O-N 2.85Å; N844-V846 HydrophobicContact CB-CG2 3.9Å; N844-V846 PolarHBondContact O-N 2.84Å
845	C	83.5	Confident	92.5	Very high	88 Å²	88	25 Å²	25	60%	0.595	13%	0.134	S	C	*	.			trans	56.6	29.5	-175.3	-58.1	0	0	0	0	113.5	E840 S841 Y847	E840-C845 PolarHBondContact O-N 2.9Å; E840-C845 VanDerWaalsContact O-N 3.08Å; S841-C845 WeakPolarHBondContact O-CA 3.42Å; S841-C845 PolarHBondContact O-N 2.86Å; C845-Y847 WeakPolarHBondContact O-CD2 3.36Å
846	V	84.5	Confident	92.6	Very high	55 Å²	55	23.9 Å²	23.9	33%	0.333	13%	0.129	S	C	.	.			trans	-92.8	123.2	179.2	175.3	0	0	0	0	109.3	E840 S841 N844 T848	E840-V846 HydrophobicContact CB-CB 4.34Å; E840-V846 HydrophobicContact CG-CB 4.28Å; E840-V846 HydrophobicContact CG-CG1 4.39Å; E840-V846 PolarHBondContact O-N 3.29Å; E840-V846 VanDerWaalsContact O-N 3.1Å; S841-V846 WeakPolarHBondContact CA-O 3.49Å; S841-V846 WeakPolarHBondContact CB-O 3Å; S841-V846 PolarHBondContact N-O 3.29Å; S841-V846 PolarHBondContact OG-O 3.45Å; N844-V846 HydrophobicContact CB-CG2 3.9Å; N844-V846 PolarHBondContact O-N 2.84Å; V846-T848 HydrophobicContact CG1-CG2 3.64Å
847	Y	86	Confident	92.8	Very high	21 Å²	21	23.7 Å²	23.7	8%	0.082	13%	0.129	C	C	.	.			trans	-120.1	121.2	178.6	-63.6	-88.3	0	0	0	109.7	Y571 I790 R792 M837 C845	Y571-Y847 PolarHBondContact OH-O 3.42Å; I790-Y847 WeakPolarHBondContact CD1-O 3.06Å; R792-Y847 HydrophobicContact CB-CD1 3.98Å; R792-Y847 HydrophobicContact CB-CE1 4.29Å; R792-Y847 HydrophobicContact CG-CD1 3.68Å; R792-Y847 HydrophobicContact CG-CE1 4.41Å; R792-Y847 HydrophobicContact CG-CG 3.98Å; M837-Y847 HydrophobicContact CE-CE1 4.01Å; M837-Y847 WeakPolarHBondContact CE-OH 3.33Å; C845-Y847 WeakPolarHBondContact O-CD2 3.36Å
848	T	90.4	Very high	93	Very high	6 Å²	6	23.5 Å²	23.5	4%	0.037	13%	0.127	C	C	.	.			trans	-140.4	173.7	-174.4	75.5	0	0	0	0	110.7	Y569 V846 E850 S851 D852	Y569-T848 HydrophobicContact CD2-CG2 3.54Å; Y569-T848 HydrophobicContact CE2-CG2 3.21Å; Y569-T848 HydrophobicContact CG-CG2 4.42Å; V846-T848 HydrophobicContact CG1-CG2 3.64Å; T848-E850 WeakPolarHBondContact CB-OE2 3.31Å; T848-E850 PolarHBondContact O-N 3.42Å; T848-E850 WeakPolarHBondContact OG1-CB 3.06Å; T848-E850 PolarHBondContact OG1-N 2.98Å; T848-E850 PolarHBondContact OG1-OE2 3.26Å; T848-S851 PolarHBondContact N-OG 3.23Å; T848-S851 PolarHBondContact O-N 3.3Å; T848-S851 VanDerWaalsContact O-N 3.12Å; T848-S851 PolarHBondContact O-OG 3.27Å; T848-S851 PolarHBondContact OG1-N 2.93Å; T848-S851 VanDerWaalsContact OG1-N 3.16Å; T848-D852 PolarHBondContact O-N 3.36Å; T848-D852 VanDerWaalsContact O-N 3.14Å
849	F	93	Very high	93.1	Very high	25 Å²	25	23.5 Å²	23.5	11%	0.11	13%	0.127	C	C	.	.	H	α-helix	trans	-59.8	-35.4	171.8	-52.3	-60.8	0	0	0	111.5	V561 I564 Y569 A785 N788 I790 S851 D852 V853	V561-F849 HydrophobicContact CB-CZ 4.41Å; V561-F849 HydrophobicContact CG2-CE1 4.49Å; V561-F849 HydrophobicContact CG2-CZ 3.94Å; I564-F849 HydrophobicContact CD1-CE2 3.96Å; Y569-F849 AromaticContact CE1-CD2 3.88Å; Y569-F849 HydrophobicContact CE1-CD2 3.88Å; Y569-F849 AromaticContact CE1-CE2 3.72Å; Y569-F849 HydrophobicContact CE1-CE2 3.72Å; A785-F849 HydrophobicContact CB-CD1 4.05Å; A785-F849 HydrophobicContact CB-CE1 4.48Å; N788-F849 HydrophobicContact CB-CZ 4.43Å; I790-F849 HydrophobicContact CD1-CE1 4.41Å; I790-F849 HydrophobicContact CG1-CD1 3.65Å; I790-F849 HydrophobicContact CG1-CE1 3.58Å; I790-F849 HydrophobicContact CG1-CG 4.4Å; I790-F849 HydrophobicContact CG1-CZ 4.29Å; F849-S851 VanDerWaalsContact C-N 3.31Å; F849-S851 PolarHBondContact O-N 3.05Å; F849-D852 WeakPolarHBondContact O-CB 3.21Å; F849-D852 PolarHBondContact O-N 2.9Å; F849-V853 WeakPolarHBondContact O-CG2 3.29Å; F849-V853 PolarHBondContact O-N 3.12Å
850	E	95.5	Very high	93.3	Very high	42 Å²	42	22.5 Å²	22.5	20%	0.196	12%	0.121	C	C	.	.	H	α-helix	trans	-67.7	-31.7	176.7	-57.4	70.9	-151.7	0	0	111.8	Y569 T848 V853 W854 P912 R915	Y569-E850 PolarHBondContact OH-OE2 3.12Å; T848-E850 WeakPolarHBondContact CB-OE2 3.31Å; T848-E850 PolarHBondContact O-N 3.42Å; T848-E850 WeakPolarHBondContact OG1-CB 3.06Å; T848-E850 PolarHBondContact OG1-N 2.98Å; T848-E850 PolarHBondContact OG1-OE2 3.26Å; E850-V853 WeakPolarHBondContact O-CB 3.5Å; E850-V853 PolarHBondContact O-N 3.46Å; E850-W854 PolarHBondContact O-N 3.12Å; E850-W854 VanDerWaalsContact O-N 3.14Å; E850-P912 HydrophobicContact CB-CB 3.78Å; E850-P912 WeakPolarHBondContact CB-O 3.14Å; E850-P912 HydrophobicContact CG-CB 4.24Å; E850-P912 WeakPolarHBondContact CG-O 3.44Å; E850-R915 WeakPolarHBondContact O-CD 3.45Å; E850-R915 PolarHBondContact O-NH1 3.17Å
851	S	94.9	Very high	93.5	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.021	12%	0.12	C	C	.	.	H	α-helix	trans	-70.3	-34.2	172.1	75.3	0	0	0	0	112.3	S841 T848 F849 V853 W854 S855	S841-S851 WeakPolarHBondContact OG-CB 3.02Å; T848-S851 PolarHBondContact N-OG 3.23Å; T848-S851 PolarHBondContact O-N 3.3Å; T848-S851 VanDerWaalsContact O-N 3.12Å; T848-S851 PolarHBondContact O-OG 3.27Å; T848-S851 PolarHBondContact OG1-N 2.93Å; T848-S851 VanDerWaalsContact OG1-N 3.16Å; F849-S851 VanDerWaalsContact C-N 3.31Å; F849-S851 PolarHBondContact O-N 3.05Å; S851-V853 VanDerWaalsContact C-N 3.34Å; S851-W854 WeakPolarHBondContact O-CB 3.16Å; S851-W854 PolarHBondContact O-N 3.37Å; S851-S855 PolarHBondContact O-N 3.11Å; S851-S855 VanDerWaalsContact O-N 3.16Å; S851-S855 PolarHBondContact O-OG 3.02Å
852	D	96.6	Very high	93.8	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-68.9	-33.8	171.6	-81.1	-14.9	0	0	0	111.6	M781 I790 H791 R792 T848 F849 W854 S855 Y856 F918	M781-D852 HydrophobicContact CE-CB 3.72Å; I790-D852 WeakPolarHBondContact CA-OD2 3.43Å; I790-D852 WeakPolarHBondContact CG2-OD2 3.32Å; H791-D852 PolarHBondContact N-OD1 2.86Å; H791-D852 PolarHBondContact N-OD2 3.2Å; R792-D852 PolarHBondContact N-OD1 3.41Å; T848-D852 PolarHBondContact O-N 3.36Å; T848-D852 VanDerWaalsContact O-N 3.14Å; F849-D852 WeakPolarHBondContact O-CB 3.21Å; F849-D852 PolarHBondContact O-N 2.9Å; D852-W854 VanDerWaalsContact C-N 3.3Å; D852-W854 PolarHBondContact O-N 2.92Å; D852-S855 CarbonylContact O-C 3.52Å; D852-S855 PolarHBondContact O-N 3.45Å; D852-Y856 WeakPolarHBondContact O-CB 3.42Å; D852-Y856 PolarHBondContact O-N 2.94Å; D852-F918 HydrophobicContact CB-CE2 3.96Å; D852-F918 HydrophobicContact CB-CZ 4.1Å
853	V	98.2	Very high	94.2	Very high	4 Å²	4	22 Å²	22	2%	0.024	12%	0.118	C	C	.	.	H	α-helix	trans	-61.3	-40.7	172.8	167.6	0	0	0	0	110.7	F849 E850 S851 Y856 G857 C907 R915 P916 F918 I921	F849-V853 WeakPolarHBondContact O-CG2 3.29Å; F849-V853 PolarHBondContact O-N 3.12Å; E850-V853 WeakPolarHBondContact O-CB 3.5Å; E850-V853 PolarHBondContact O-N 3.46Å; S851-V853 VanDerWaalsContact C-N 3.34Å; V853-Y856 WeakPolarHBondContact O-CB 3.45Å; V853-Y856 PolarHBondContact O-N 2.91Å; V853-G857 PolarHBondContact O-N 3.1Å; V853-C907 HydrophobicContact CG1-CB 3.94Å; V853-C907 WeakPolarHBondContact O-CB 3.03Å; V853-R915 HydrophobicContact CG1-CB 3.89Å; V853-P916 HydrophobicContact CG1-CG 4.48Å; V853-P916 WeakPolarHBondContact CG1-O 3.49Å; V853-P916 VanDerWaalsContact CG2-O 3.29Å; V853-P916 WeakPolarHBondContact CG2-O 3.31Å; V853-F918 HydrophobicContact CB-CZ 4.49Å; V853-F918 HydrophobicContact CG2-CD2 3.97Å; V853-F918 HydrophobicContact CG2-CE1 4.31Å; V853-F918 HydrophobicContact CG2-CE2 3.68Å; V853-F918 HydrophobicContact CG2-CG 4.39Å; V853-F918 HydrophobicContact CG2-CZ 3.87Å; V853-I921 HydrophobicContact CG1-CD1 3.93Å; V853-I921 HydrophobicContact CG2-CD1 4.31Å
854	W	98	Very high	94.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-59	-49.7	172.1	175.3	-72.9	0	0	0	111.4	M837 A838 P839 E850 S851 D852 Y856 G857 I858 R889 C907 W908	M837-W854 PolarHBondContact O-NE1 3.04Å; A838-W854 HydrophobicContact CB-CB 3.7Å; A838-W854 HydrophobicContact CB-CD2 4.01Å; A838-W854 HydrophobicContact CB-CE3 4.41Å; A838-W854 HydrophobicContact CB-CG 3.68Å; P839-W854 HydrophobicContact CG-CE3 4.4Å; P839-W854 HydrophobicContact CG-CH2 3.47Å; P839-W854 VanDerWaalsContact CG-CH2 3.47Å; P839-W854 HydrophobicContact CG-CZ2 4.09Å; P839-W854 HydrophobicContact CG-CZ3 3.68Å; E850-W854 PolarHBondContact O-N 3.12Å; E850-W854 VanDerWaalsContact O-N 3.14Å; S851-W854 WeakPolarHBondContact O-CB 3.16Å; S851-W854 PolarHBondContact O-N 3.37Å; D852-W854 VanDerWaalsContact C-N 3.3Å; D852-W854 PolarHBondContact O-N 2.92Å; W854-Y856 PolarHBondContact O-N 3.34Å; W854-G857 WeakPolarHBondContact O-CA 3.35Å; W854-G857 PolarHBondContact O-N 3.05Å; W854-I858 PolarHBondContact O-N 3.04Å; W854-I858 VanDerWaalsContact O-N 3.13Å; W854-R889 VanDerWaalsContact CH2-NE 3.29Å; W854-C907 WeakPolarHBondContact CA-O 3.43Å; W854-W908 AromaticContact CD2-CD1 3.77Å; W854-W908 AromaticContact CE2-CD1 3.97Å; W854-W908 HydrophobicContact CE3-CB 4.13Å; W854-W908 HydrophobicContact CH2-CB 4.42Å; W854-W908 HydrophobicContact CZ3-CB 4.02Å; W854-W908 WeakPolarHBondContact CZ3-O 3.34Å; W854-W908 PolarHBondContact O-NE1 2.67Å
855	S	97.7	Very high	94.9	Very high	5 Å²	5	13.3 Å²	13.3	4%	0.035	8%	0.075	C	C	.	.	H	α-helix	trans	-59.5	-34.8	177.4	-58.5	0	0	0	0	112	W836 S851 D852 I858 F859	W836-S855 WeakPolarHBondContact O-CA 3.27Å; W836-S855 WeakPolarHBondContact O-CB 3.46Å; W836-S855 PolarHBondContact O-OG 2.78Å; S851-S855 PolarHBondContact O-N 3.11Å; S851-S855 VanDerWaalsContact O-N 3.16Å; S851-S855 PolarHBondContact O-OG 3.02Å; D852-S855 CarbonylContact O-C 3.52Å; D852-S855 PolarHBondContact O-N 3.45Å; S855-I858 PolarHBondContact O-N 2.89Å; S855-F859 PolarHBondContact O-N 2.86Å
856	Y	98.5	Very high	95.5	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-63.5	-40.7	173.3	179.6	-95.8	0	0	0	112.2	S774 V777 A778 L794 D852 V853 W854 I858 F859 L860 F918 I921 I925	S774-Y856 PolarHBondContact O-OH 2.89Å; V777-Y856 HydrophobicContact CB-CE2 4.23Å; V777-Y856 HydrophobicContact CG1-CD2 4.09Å; V777-Y856 HydrophobicContact CG1-CE2 3.93Å; A778-Y856 HydrophobicContact CB-CE2 4.05Å; L794-Y856 HydrophobicContact CD2-CD2 4.06Å; L794-Y856 HydrophobicContact CD2-CG 4.38Å; D852-Y856 WeakPolarHBondContact O-CB 3.42Å; D852-Y856 PolarHBondContact O-N 2.94Å; V853-Y856 WeakPolarHBondContact O-CB 3.45Å; V853-Y856 PolarHBondContact O-N 2.91Å; W854-Y856 PolarHBondContact O-N 3.34Å; Y856-I858 VanDerWaalsContact C-N 3.32Å; Y856-I858 PolarHBondContact O-N 3.31Å; Y856-F859 AromaticContact CD2-CD1 3.94Å; Y856-F859 HydrophobicContact CD2-CD1 3.94Å; Y856-F859 AromaticContact CE2-CD1 3.92Å; Y856-F859 HydrophobicContact CE2-CD1 3.92Å; Y856-F859 HydrophobicContact CE2-CE1 4.13Å; Y856-F859 WeakPolarHBondContact O-CB 3.17Å; Y856-F859 PolarHBondContact O-N 3.17Å; Y856-L860 HydrophobicContact CD1-CD1 4.09Å; Y856-L860 HydrophobicContact CD1-CG 4.19Å; Y856-L860 HydrophobicContact CE1-CD1 3.47Å; Y856-L860 VanDerWaalsContact CE1-CD1 3.47Å; Y856-L860 HydrophobicContact CE1-CD2 4.07Å; Y856-L860 HydrophobicContact CE1-CG 3.68Å; Y856-L860 HydrophobicContact CE2-CD2 4.49Å; Y856-L860 WeakPolarHBondContact O-CG 3.37Å; Y856-L860 PolarHBondContact O-N 3.3Å; Y856-F918 HydrophobicContact CD1-CE1 4.31Å; Y856-F918 AromaticContact CD2-CE1 3.9Å; Y856-F918 HydrophobicContact CD2-CE1 3.9Å; Y856-F918 AromaticContact CG-CE1 3.67Å; Y856-F918 HydrophobicContact CG-CE1 3.67Å; Y856-I921 HydrophobicContact CD1-CD1 3.97Å; Y856-I921 HydrophobicContact CD1-CG2 4.15Å; Y856-I921 HydrophobicContact CE1-CD1 4.28Å; Y856-I921 HydrophobicContact CE1-CG2 3.4Å; Y856-I921 VanDerWaalsContact CE1-CG2 3.4Å; Y856-I925 HydrophobicContact CE1-CD1 4.4Å; Y856-I925 WeakPolarHBondContact OH-CD1 3.25Å
857	G	98.1	Very high	95.9	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-59.2	-41.9	171.9	0	0	0	0	0	112.5	V853 W854 L860 W861 W908	V853-G857 PolarHBondContact O-N 3.1Å; W854-G857 WeakPolarHBondContact O-CA 3.35Å; W854-G857 PolarHBondContact O-N 3.05Å; G857-L860 PolarHBondContact O-N 3.06Å; G857-W861 PolarHBondContact O-N 3.32Å; G857-W861 VanDerWaalsContact O-N 3.12Å; G857-W908 VanDerWaalsContact C-CZ2 3.42Å; G857-W908 WeakPolarHBondContact O-CZ2 3.47Å
858	I	98	Very high	96.3	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-65.2	-41.5	175.1	-55.2	-67.7	0	0	0	111	W836 W854 S855 Y856 L860 W861 E862 P870 Y871 M890 W908	W836-I858 HydrophobicContact CD2-CG2 4.3Å; W836-I858 HydrophobicContact CG-CB 4.42Å; W836-I858 HydrophobicContact CG-CG2 3.85Å; W854-I858 PolarHBondContact O-N 3.04Å; W854-I858 VanDerWaalsContact O-N 3.13Å; S855-I858 PolarHBondContact O-N 2.89Å; Y856-I858 VanDerWaalsContact C-N 3.32Å; Y856-I858 PolarHBondContact O-N 3.31Å; I858-L860 PolarHBondContact O-N 3.2Å; I858-W861 WeakPolarHBondContact O-CB 3.46Å; I858-W861 PolarHBondContact O-N 2.96Å; I858-W861 VanDerWaalsContact O-N 3.12Å; I858-E862 PolarHBondContact O-N 3.2Å; I858-P870 HydrophobicContact CG2-CB 3.78Å; I858-P870 HydrophobicContact CG2-CG 3.52Å; I858-Y871 HydrophobicContact CD1-CE2 4.01Å; I858-M890 HydrophobicContact CD1-CE 3.36Å; I858-M890 HydrophobicContact CG2-CE 4.33Å; I858-W908 HydrophobicContact CD1-CZ2 3.74Å; I858-W908 HydrophobicContact CG1-CZ2 4.45Å
859	F	98.1	Very high	96.3	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-58.9	-44	173.9	159.2	-103.4	0	0	0	112.2	L679 V777 A796 I799 S855 Y856 W861 E862 L863	L679-F859 HydrophobicContact CD2-CE2 3.87Å; L679-F859 HydrophobicContact CD2-CZ 4.01Å; V777-F859 HydrophobicContact CB-CE1 3.74Å; V777-F859 HydrophobicContact CB-CZ 4.08Å; V777-F859 HydrophobicContact CG1-CD1 4.08Å; V777-F859 HydrophobicContact CG1-CE1 3.74Å; V777-F859 HydrophobicContact CG1-CZ 4.21Å; V777-F859 HydrophobicContact CG2-CE1 3.9Å; V777-F859 HydrophobicContact CG2-CZ 3.68Å; A796-F859 HydrophobicContact CB-CD2 3.99Å; A796-F859 HydrophobicContact CB-CE2 4.14Å; I799-F859 HydrophobicContact CG1-CD2 4.26Å; I799-F859 HydrophobicContact CG1-CE2 3.82Å; I799-F859 HydrophobicContact CG1-CZ 4.34Å; S855-F859 PolarHBondContact O-N 2.86Å; Y856-F859 AromaticContact CD2-CD1 3.94Å; Y856-F859 HydrophobicContact CD2-CD1 3.94Å; Y856-F859 AromaticContact CE2-CD1 3.92Å; Y856-F859 HydrophobicContact CE2-CD1 3.92Å; Y856-F859 HydrophobicContact CE2-CE1 4.13Å; Y856-F859 WeakPolarHBondContact O-CB 3.17Å; Y856-F859 PolarHBondContact O-N 3.17Å; F859-W861 VanDerWaalsContact C-N 3.26Å; F859-W861 PolarHBondContact O-N 3.18Å; F859-E862 WeakPolarHBondContact O-CB 3.45Å; F859-E862 PolarHBondContact O-N 2.87Å; F859-L863 HydrophobicContact CE1-CD2 4.23Å; F859-L863 HydrophobicContact CZ-CD1 4.47Å; F859-L863 HydrophobicContact CZ-CD2 4.02Å; F859-L863 WeakPolarHBondContact O-CB 3.27Å; F859-L863 PolarHBondContact O-N 3.02Å
860	L	98.3	Very high	96.4	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-59.6	-39.9	174.3	-71.6	-177	0	0	0	111.3	S774 Y856 G857 I858 L863 F864 M900 I903 M904	S774-L860 WeakPolarHBondContact OG-CD2 3.01Å; Y856-L860 HydrophobicContact CD1-CD1 4.09Å; Y856-L860 HydrophobicContact CD1-CG 4.19Å; Y856-L860 HydrophobicContact CE1-CD1 3.47Å; Y856-L860 VanDerWaalsContact CE1-CD1 3.47Å; Y856-L860 HydrophobicContact CE1-CD2 4.07Å; Y856-L860 HydrophobicContact CE1-CG 3.68Å; Y856-L860 HydrophobicContact CE2-CD2 4.49Å; Y856-L860 WeakPolarHBondContact O-CG 3.37Å; Y856-L860 PolarHBondContact O-N 3.3Å; G857-L860 PolarHBondContact O-N 3.06Å; I858-L860 PolarHBondContact O-N 3.2Å; L860-L863 HydrophobicContact CD2-CD2 4.38Å; L860-L863 WeakPolarHBondContact O-CB 3.25Å; L860-L863 PolarHBondContact O-N 3.49Å; L860-F864 HydrophobicContact CD2-CE2 4.36Å; L860-F864 VanDerWaalsContact O-CD2 3.3Å; L860-F864 WeakPolarHBondContact O-CD2 3.44Å; L860-F864 PolarHBondContact O-N 2.97Å; L860-M900 HydrophobicContact CD1-SD 3.81Å; L860-M900 HydrophobicContact CD2-SD 4.23Å; L860-I903 HydrophobicContact CD1-CG2 4.09Å; L860-M904 HydrophobicContact CB-CE 3.9Å; L860-M904 HydrophobicContact CB-CG 3.79Å; L860-M904 HydrophobicContact CB-SD 4.08Å; L860-M904 HydrophobicContact CD1-CG 4Å
861	W	97.9	Very high	96.3	Very high	18 Å²	18	5 Å²	5	7%	0.068	3%	0.031	C	C	.	.	H	α-helix	trans	-62.3	-43.5	174.9	-166	97.3	0	0	0	112.2	G857 I858 F859 L863 S865 S869 P872 M890 L891 P893 M904 W908	G857-W861 PolarHBondContact O-N 3.32Å; G857-W861 VanDerWaalsContact O-N 3.12Å; I858-W861 WeakPolarHBondContact O-CB 3.46Å; I858-W861 PolarHBondContact O-N 2.96Å; I858-W861 VanDerWaalsContact O-N 3.12Å; F859-W861 VanDerWaalsContact C-N 3.26Å; F859-W861 PolarHBondContact O-N 3.18Å; W861-L863 VanDerWaalsContact C-N 3.29Å; W861-L863 PolarHBondContact O-N 2.82Å; W861-S865 WeakPolarHBondContact CZ3-OG 3.38Å; W861-S865 VanDerWaalsContact O-CB 3.23Å; W861-S865 WeakPolarHBondContact O-CB 3.5Å; W861-S865 PolarHBondContact O-N 2.76Å; W861-S865 PolarHBondContact O-OG 3.12Å; W861-S869 WeakPolarHBondContact CZ3-O 3.38Å; W861-P872 HydrophobicContact CH2-CG 3.99Å; W861-P872 HydrophobicContact CZ2-CG 4.25Å; W861-M890 HydrophobicContact CB-CE 3.87Å; W861-M890 HydrophobicContact CD2-CE 4.01Å; W861-M890 HydrophobicContact CD2-SD 3.65Å; W861-M890 HydrophobicContact CE3-SD 4.03Å; W861-M890 HydrophobicContact CG-CE 3.68Å; W861-M890 HydrophobicContact CG-SD 3.94Å; W861-M890 HydrophobicContact CZ2-SD 4.29Å; W861-L891 PolarHBondContact NE1-O 3.39Å; W861-P893 HydrophobicContact CD2-CB 4.4Å; W861-P893 HydrophobicContact CG-CB 4.37Å; W861-P893 HydrophobicContact CG-CG 4.35Å; W861-M904 HydrophobicContact CB-SD 4.12Å; W861-W908 HydrophobicContact CB-CH2 4.1Å; W861-W908 HydrophobicContact CB-CZ2 4.15Å; W861-W908 AromaticContact CD1-CH2 3.93Å; W861-W908 HydrophobicContact CG-CH2 4.3Å
862	E	97.2	Very high	96.1	Very high	3 Å²	3	8.8 Å²	8.8	1%	0.014	6%	0.055	C	C	.	.	H	α-helix	trans	-57.8	-43	172.7	-66.9	-178.6	97.9	0	0	111.7	A796 W836 I858 F859 S865 L866 G867 P870	A796-E862 HydrophobicContact CB-CB 4.06Å; A796-E862 PolarHBondContact N-OE2 3.1Å; W836-E862 HydrophobicContact CZ2-CG 4.42Å; W836-E862 VanDerWaalsContact CZ2-OE1 3.29Å; W836-E862 WeakPolarHBondContact CZ2-OE1 3.26Å; W836-E862 PolarHBondContact NE1-OE2 2.82Å; I858-E862 PolarHBondContact O-N 3.2Å; F859-E862 WeakPolarHBondContact O-CB 3.45Å; F859-E862 PolarHBondContact O-N 2.87Å; E862-S865 WeakPolarHBondContact CA-OG 3.19Å; E862-S865 PolarHBondContact O-N 3.34Å; E862-S865 PolarHBondContact O-OG 3.3Å; E862-S865 VanDerWaalsContact O-OG 3.13Å; E862-L866 PolarHBondContact O-N 2.74Å; E862-G867 PolarHBondContact O-N 2.79Å; E862-P870 HydrophobicContact CG-CG 3.66Å
863	L	97.1	Very high	95.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.6	-52.1	-177.1	-170.4	63.8	0	0	0	112	L679 L683 L770 F773 S774 F859 L860 W861 S865 L866	L679-L863 HydrophobicContact CD2-CD1 3.99Å; L679-L863 HydrophobicContact CG-CD1 4.44Å; L683-L863 HydrophobicContact CD1-CD1 3.77Å; L683-L863 HydrophobicContact CD2-CD1 4.09Å; L683-L863 HydrophobicContact CG-CD1 4.42Å; L770-L863 HydrophobicContact CB-CG 4.49Å; L770-L863 HydrophobicContact CD2-CD1 4.05Å; L770-L863 HydrophobicContact CD2-CG 4.17Å; L770-L863 WeakPolarHBondContact O-CD2 3.39Å; F773-L863 HydrophobicContact CB-CD1 4.03Å; F773-L863 HydrophobicContact CB-CD2 4.02Å; F773-L863 HydrophobicContact CD2-CD1 3.95Å; F773-L863 HydrophobicContact CG-CD1 4.49Å; S774-L863 WeakPolarHBondContact OG-CD2 3.41Å; F859-L863 HydrophobicContact CE1-CD2 4.23Å; F859-L863 HydrophobicContact CZ-CD1 4.47Å; F859-L863 HydrophobicContact CZ-CD2 4.02Å; F859-L863 WeakPolarHBondContact O-CB 3.27Å; F859-L863 PolarHBondContact O-N 3.02Å; L860-L863 HydrophobicContact CD2-CD2 4.38Å; L860-L863 WeakPolarHBondContact O-CB 3.25Å; L860-L863 PolarHBondContact O-N 3.49Å; W861-L863 VanDerWaalsContact C-N 3.29Å; W861-L863 PolarHBondContact O-N 2.82Å; L863-S865 VanDerWaalsContact C-N 3.27Å; L863-S865 PolarHBondContact O-N 2.79Å; L863-L866 PolarHBondContact O-N 3.4Å; L863-L866 VanDerWaalsContact O-N 3.16Å
864	F	96.5	Very high	95.2	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-80.4	-5	-178.3	-73.4	-81.4	0	0	0	114.1	L767 L770 L771 S774 L860 P893 H895 A896 M900 M904	L767-F864 HydrophobicContact CD1-CD1 4.32Å; L767-F864 HydrophobicContact CD1-CE1 3.77Å; L770-F864 HydrophobicContact CB-CD1 4.31Å; L770-F864 HydrophobicContact CB-CE1 3.81Å; L770-F864 HydrophobicContact CB-CZ 4.04Å; L770-F864 HydrophobicContact CD1-CD1 3.89Å; L770-F864 HydrophobicContact CD1-CE1 4.15Å; L771-F864 HydrophobicContact CD2-CZ 4.13Å; S774-F864 WeakPolarHBondContact OG-CE2 3.28Å; L860-F864 HydrophobicContact CD2-CE2 4.36Å; L860-F864 VanDerWaalsContact O-CD2 3.3Å; L860-F864 WeakPolarHBondContact O-CD2 3.44Å; L860-F864 PolarHBondContact O-N 2.97Å; F864-P893 HydrophobicContact CB-CB 4.15Å; F864-P893 HydrophobicContact CB-CG 3.58Å; F864-H895 WeakPolarHBondContact CD1-O 3.17Å; F864-H895 WeakPolarHBondContact O-CB 3.16Å; F864-H895 PolarHBondContact O-N 3.06Å; F864-A896 HydrophobicContact CB-CB 3.87Å; F864-A896 HydrophobicContact CD1-CB 4.13Å; F864-A896 HydrophobicContact CG-CB 3.95Å; F864-M900 HydrophobicContact CD2-CG 3.9Å; F864-M900 HydrophobicContact CE2-CB 4.47Å; F864-M900 HydrophobicContact CE2-CE 4.19Å; F864-M900 HydrophobicContact CE2-CG 3.37Å; F864-M900 HydrophobicContact CE2-SD 4.05Å; F864-M900 HydrophobicContact CZ-CB 4.45Å; F864-M900 HydrophobicContact CZ-CE 4.05Å; F864-M900 HydrophobicContact CZ-CG 3.72Å; F864-M900 HydrophobicContact CZ-SD 4.45Å; F864-M904 HydrophobicContact CB-CE 4.33Å; F864-M904 HydrophobicContact CD2-CE 3.78Å; F864-M904 HydrophobicContact CG-CE 4.3Å
865	S	95.3	Very high	94.7	Very high	8 Å²	8	18.7 Å²	18.7	6%	0.056	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	12.9	167	66	0	0	0	0	112.9	W861 E862 L863 G867 S868	W861-S865 WeakPolarHBondContact CZ3-OG 3.38Å; W861-S865 VanDerWaalsContact O-CB 3.23Å; W861-S865 WeakPolarHBondContact O-CB 3.5Å; W861-S865 PolarHBondContact O-N 2.76Å; W861-S865 PolarHBondContact O-OG 3.12Å; E862-S865 WeakPolarHBondContact CA-OG 3.19Å; E862-S865 PolarHBondContact O-N 3.34Å; E862-S865 PolarHBondContact O-OG 3.3Å; E862-S865 VanDerWaalsContact O-OG 3.13Å; L863-S865 VanDerWaalsContact C-N 3.27Å; L863-S865 PolarHBondContact O-N 2.79Å; S865-G867 VanDerWaalsContact C-N 3.3Å; S865-G867 PolarHBondContact O-N 3.35Å; S865-S868 PolarHBondContact O-N 3.08Å; S865-S868 PolarHBondContact O-OG 2.87Å; S865-S868 WeakPolarHBondContact OG-CB 3.18Å
866	L	94.9	Very high	94.2	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.016	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	44.3	178.6	-58.1	174.1	0	0	0	113.1	L683 R687 F690 L765 L770 E862 L863 H895	L683-L866 HydrophobicContact CD2-CD2 4.2Å; R687-L866 HydrophobicContact CB-CB 4.44Å; R687-L866 HydrophobicContact CG-CB 4.07Å; R687-L866 HydrophobicContact CG-CD1 4.1Å; F690-L866 HydrophobicContact CB-CD1 3.74Å; F690-L866 HydrophobicContact CD1-CD1 3.82Å; F690-L866 HydrophobicContact CD2-CD1 4.27Å; F690-L866 HydrophobicContact CD2-CD2 3.84Å; F690-L866 HydrophobicContact CE2-CD2 4.13Å; F690-L866 HydrophobicContact CG-CD1 3.67Å; F690-L866 HydrophobicContact CG-CD2 4.12Å; L765-L866 HydrophobicContact CD2-CD2 4.08Å; L770-L866 HydrophobicContact CD1-CD2 4.11Å; L770-L866 HydrophobicContact CD2-CD2 4.16Å; E862-L866 PolarHBondContact O-N 2.74Å; L863-L866 PolarHBondContact O-N 3.4Å; L863-L866 VanDerWaalsContact O-N 3.16Å; L866-H895 VanDerWaalsContact CD1-CD2 3.49Å; L866-H895 WeakPolarHBondContact CD1-CD2 3.31Å; L866-H895 WeakPolarHBondContact CD1-NE2 3.49Å
867	G	93.5	Very high	93.7	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.01	16%	0.158	C	C	.	.	S	Bend	trans	83.8	23.1	175.1	0	0	0	0	0	114.7	L680 R684 E862 S865	L680-G867 WeakPolarHBondContact CD1-O 3.32Å; R684-G867 PolarHBondContact NE-O 3.29Å; R684-G867 PolarHBondContact NH2-O 3.29Å; E862-G867 PolarHBondContact O-N 2.79Å; S865-G867 VanDerWaalsContact C-N 3.3Å; S865-G867 PolarHBondContact O-N 3.35Å
868	S	93.8	Very high	93.2	Very high	26 Å²	26	28.3 Å²	28.3	18%	0.182	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-70.7	150.2	171.2	-59.3	0	0	0	0	110.7	R687 S865	R687-S868 PolarHBondContact NH1-OG 3.1Å; R687-S868 PolarHBondContact NH2-OG 3.39Å; S865-S868 PolarHBondContact O-N 3.08Å; S865-S868 PolarHBondContact O-OG 2.87Å; S865-S868 WeakPolarHBondContact OG-CB 3.18Å
869	S	91.7	Very high	92.7	Very high	30 Å²	30	34.9 Å²	34.9	21%	0.21	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-66.8	132.9	176.3	172.3	0	0	0	0	110	W861	W861-S869 WeakPolarHBondContact CZ3-O 3.38Å
870	P	94.6	Very high	92.4	Very high	0 Å²	0	35 Å²	35	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-54.2	150.4	170.1	-26.9	36.4	0	0	0	111.8	K835 W836 I858 E862 M890	K835-P870 HydrophobicContact CB-CB 4.39Å; K835-P870 WeakPolarHBondContact CD-O 3.29Å; K835-P870 PolarHBondContact NZ-O 2.8Å; W836-P870 HydrophobicContact CH2-CG 4.12Å; W836-P870 VanDerWaalsContact CZ2-CD 3.48Å; W836-P870 HydrophobicContact CZ2-CG 3.51Å; I858-P870 HydrophobicContact CG2-CB 3.78Å; I858-P870 HydrophobicContact CG2-CG 3.52Å; E862-P870 HydrophobicContact CG-CG 3.66Å; P870-M890 HydrophobicContact CB-CE 4.16Å; P870-M890 HydrophobicContact CB-SD 3.83Å
871	Y	93.7	Very high	92	Very high	3 Å²	3	37.3 Å²	37.3	1%	0.012	23%	0.231	C	C	.	.	S	Bend	trans	49.7	64.8	-176.2	-55.6	-82.2	0	0	0	110.4	K835 I858 G873 M874 F880 I884 F888 M890	K835-Y871 HydrophobicContact CB-CD2 4.06Å; K835-Y871 HydrophobicContact CB-CE2 4.42Å; K835-Y871 HydrophobicContact CD-CD2 4.42Å; K835-Y871 HydrophobicContact CG-CD2 4.13Å; K835-Y871 PolarHBondContact NZ-O 2.03Å; K835-Y871 WeakPolarHBondContact O-CE2 3.26Å; I858-Y871 HydrophobicContact CD1-CE2 4.01Å; Y871-G873 PolarHBondContact O-N 3.28Å; Y871-M874 HydrophobicContact CD1-CE 3.8Å; Y871-M874 HydrophobicContact CG-CE 4.25Å; Y871-M874 PolarHBondContact O-N 2.83Å; Y871-M874 VanDerWaalsContact O-N 3.1Å; Y871-F880 HydrophobicContact CD1-CE2 4.16Å; Y871-F880 AromaticContact CD2-CE2 3.73Å; Y871-F880 HydrophobicContact CD2-CE2 3.73Å; Y871-F880 AromaticContact CD2-CZ 3.87Å; Y871-F880 HydrophobicContact CD2-CZ 3.87Å; Y871-F880 HydrophobicContact CE2-CE2 4.25Å; Y871-F880 AromaticContact CE2-CZ 3.99Å; Y871-F880 HydrophobicContact CE2-CZ 3.99Å; Y871-F880 AromaticContact CG-CE2 3.67Å; Y871-F880 HydrophobicContact CG-CE2 3.67Å; Y871-F880 HydrophobicContact CG-CZ 4.25Å; Y871-I884 HydrophobicContact CE1-CD1 3.71Å; Y871-I884 HydrophobicContact CE2-CD1 4.47Å; Y871-I884 WeakPolarHBondContact OH-CD1 3.1Å; Y871-F888 HydrophobicContact CD1-CD1 4.33Å; Y871-F888 HydrophobicContact CD1-CE1 4.02Å; Y871-F888 HydrophobicContact CE1-CD1 4.16Å; Y871-F888 HydrophobicContact CE1-CE1 4.21Å; Y871-M890 HydrophobicContact CD1-CG 3.39Å; Y871-M890 HydrophobicContact CD1-SD 4.07Å; Y871-M890 HydrophobicContact CD2-CG 4.4Å; Y871-M890 HydrophobicContact CD2-SD 4.03Å; Y871-M890 HydrophobicContact CE1-CG 3.49Å; Y871-M890 VanDerWaalsContact CE1-CG 3.49Å; Y871-M890 HydrophobicContact CE1-SD 4.29Å; Y871-M890 HydrophobicContact CE2-CE 4.18Å; Y871-M890 HydrophobicContact CE2-CG 4.44Å; Y871-M890 HydrophobicContact CE2-SD 4.22Å; Y871-M890 HydrophobicContact CG-CG 3.9Å; Y871-M890 HydrophobicContact CG-SD 3.96Å; Y871-M890 PolarHBondContact N-SD 3.09Å
872	P	90.3	Very high	91.7	Very high	82 Å²	82	39.4 Å²	39.4	53%	0.532	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	136.2	-173.2	25	-34.2	0	0	0	110.6	W861 M874	W861-P872 HydrophobicContact CH2-CG 3.99Å; W861-P872 HydrophobicContact CZ2-CG 4.25Å; P872-M874 PolarHBondContact O-N 2.8Å
873	G	88	Confident	91.4	Very high	85 Å²	85	40.6 Å²	40.6	88%	0.876	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.1	-0.7	-177.9	0	0	0	0	0	115.6	Y871 P875	Y871-G873 PolarHBondContact O-N 3.28Å; G873-P875 WeakPolarHBondContact O-CD 3.48Å
874	M	88.3	Confident	91.1	Very high	43 Å²	43	40.9 Å²	40.9	21%	0.212	25%	0.248	C	C	.	.			trans	-107.7	108.7	-179.9	-65.8	-169.3	-75.6	0	0	111.4	K835 Y871 P872 F880 M883 F888	K835-M874 WeakPolarHBondContact CE-O 3.4Å; K835-M874 PolarHBondContact NZ-O 2.89Å; Y871-M874 HydrophobicContact CD1-CE 3.8Å; Y871-M874 HydrophobicContact CG-CE 4.25Å; Y871-M874 PolarHBondContact O-N 2.83Å; Y871-M874 VanDerWaalsContact O-N 3.1Å; P872-M874 PolarHBondContact O-N 2.8Å; M874-F880 HydrophobicContact CB-CD2 4.48Å; M874-M883 HydrophobicContact CG-CE 4.47Å; M874-M883 HydrophobicContact SD-CE 3.47Å; M874-M883 WeakPolarHBondContact SD-CE 3.4Å; M874-M883 HydrophobicContact SD-SD 4.02Å; M874-F888 HydrophobicContact CE-CD1 4.36Å; M874-F888 HydrophobicContact CE-CE1 3.44Å; M874-F888 VanDerWaalsContact CE-CE1 3.44Å; M874-F888 HydrophobicContact CE-CZ 3.82Å; M874-F888 HydrophobicContact SD-CE1 4.4Å
875	P	87.6	Confident	90.8	Very high	86 Å²	86	48.6 Å²	48.6	56%	0.558	28%	0.281	S	S	*	.			trans	-71.3	153.7	171.6	30.8	-33.8	0	0	0	110.5	G873 D877 F880	G873-P875 WeakPolarHBondContact O-CD 3.48Å; P875-D877 PolarHBondContact O-N 2.78Å; P875-F880 WeakPolarHBondContact O-CB 3.39Å
876	V	86.5	Confident	90.6	Very high	35 Å²	35	52.3 Å²	52.3	21%	0.212	30%	0.298	C	S	.	.	S	Bend	trans	-81.5	89	176.7	-176.4	0	0	0	0	109.6	V825 V834 K835 F880 Y881	V825-V876 HydrophobicContact CG2-CB 3.65Å; V825-V876 HydrophobicContact CG2-CG1 3.68Å; V825-V876 HydrophobicContact CG2-CG2 4.09Å; V834-V876 HydrophobicContact CB-CG1 3.91Å; V834-V876 HydrophobicContact CB-CG2 4.39Å; V834-V876 HydrophobicContact CG1-CG1 3.58Å; V834-V876 HydrophobicContact CG1-CG2 4.49Å; V834-V876 HydrophobicContact CG2-CG1 4.31Å; K835-V876 HydrophobicContact CD-CG2 4.33Å; K835-V876 HydrophobicContact CG-CG2 3.71Å; V876-F880 HydrophobicContact CB-CD1 4.44Å; V876-F880 HydrophobicContact CB-CG 4.48Å; V876-F880 HydrophobicContact CG1-CD1 3.9Å; V876-F880 HydrophobicContact CG1-CE1 4.45Å; V876-F880 HydrophobicContact CG1-CG 4.36Å; V876-F880 HydrophobicContact CG2-CD1 4.33Å; V876-F880 HydrophobicContact CG2-CE1 4.44Å; V876-F880 HydrophobicContact CG2-CG 4.4Å; V876-Y881 HydrophobicContact CG1-CE1 4.44Å; V876-Y881 HydrophobicContact CG1-CE2 4.03Å
877	D	88	Confident	90.5	Very high	68 Å²	68	54.1 Å²	54.1	36%	0.364	32%	0.317	S	S	.	.	S	Bend	trans	-124.1	-171.5	176.3	64.8	14	0	0	0	111.1	P875 K879 F880 Y881	P875-D877 PolarHBondContact O-N 2.78Å; D877-K879 PolarHBondContact O-N 2.89Å; D877-K879 WeakPolarHBondContact OD1-CA 3.38Å; D877-K879 WeakPolarHBondContact OD1-CB 3.49Å; D877-K879 PolarHBondContact OD1-N 2.93Å; D877-F880 WeakPolarHBondContact O-CB 3.39Å; D877-F880 PolarHBondContact O-N 2.86Å; D877-F880 VanDerWaalsContact O-N 3.13Å; D877-F880 PolarHBondContact OD1-N 3.38Å; D877-Y881 WeakPolarHBondContact O-CD2 3.41Å; D877-Y881 PolarHBondContact O-N 2.03Å; D877-Y881 VanDerWaalsContact O-N 3.16Å
878	S	87.8	Confident	90.5	Very high	104 Å²	104	58 Å²	58	73%	0.727	33%	0.334	S	S	*	.	H	α-helix	trans	-58.7	-29.6	176.7	53.7	0	0	0	0	113.4	K882	S878-K882 WeakPolarHBondContact O-CB 3.27Å; S878-K882 PolarHBondContact O-N 3.05Å; S878-K882 VanDerWaalsContact O-N 3.1Å
879	K	88.6	Confident	90.5	Very high	137 Å²	137	59.2 Å²	59.2	60%	0.596	33%	0.334	S	S	*	.	H	α-helix	trans	-70.4	-42.5	176.4	-171	-175.1	177.2	-177.1	0	110	D877 Y881 K882 M883	D877-K879 PolarHBondContact O-N 2.89Å; D877-K879 WeakPolarHBondContact OD1-CA 3.38Å; D877-K879 WeakPolarHBondContact OD1-CB 3.49Å; D877-K879 PolarHBondContact OD1-N 2.93Å; K879-Y881 PolarHBondContact O-N 3.07Å; K879-K882 PolarHBondContact O-N 2.84Å; K879-M883 HydrophobicContact CG-CE 4.15Å; K879-M883 HydrophobicContact CG-CG 4.44Å; K879-M883 HydrophobicContact CG-SD 4.24Å; K879-M883 WeakPolarHBondContact O-CG 3.17Å; K879-M883 PolarHBondContact O-N 3.27Å
880	F	90.7	Very high	90.6	Very high	2 Å²	2	58 Å²	58	1%	0.009	33%	0.325	C	S	.	.	H	α-helix	trans	-55.7	-50.7	173.7	-175.8	-87.8	0	0	0	112.1	V834 K835 Y871 M874 P875 V876 D877 K882 M883 I884	V834-F880 HydrophobicContact CG1-CD1 4.22Å; V834-F880 HydrophobicContact CG1-CE1 3.78Å; K835-F880 HydrophobicContact CG-CE2 4.17Å; K835-F880 HydrophobicContact CG-CZ 3.97Å; Y871-F880 HydrophobicContact CD1-CE2 4.16Å; Y871-F880 AromaticContact CD2-CE2 3.73Å; Y871-F880 HydrophobicContact CD2-CE2 3.73Å; Y871-F880 AromaticContact CD2-CZ 3.87Å; Y871-F880 HydrophobicContact CD2-CZ 3.87Å; Y871-F880 HydrophobicContact CE2-CE2 4.25Å; Y871-F880 AromaticContact CE2-CZ 3.99Å; Y871-F880 HydrophobicContact CE2-CZ 3.99Å; Y871-F880 AromaticContact CG-CE2 3.67Å; Y871-F880 HydrophobicContact CG-CE2 3.67Å; Y871-F880 HydrophobicContact CG-CZ 4.25Å; M874-F880 HydrophobicContact CB-CD2 4.48Å; P875-F880 WeakPolarHBondContact O-CB 3.39Å; V876-F880 HydrophobicContact CB-CD1 4.44Å; V876-F880 HydrophobicContact CB-CG 4.48Å; V876-F880 HydrophobicContact CG1-CD1 3.9Å; V876-F880 HydrophobicContact CG1-CE1 4.45Å; V876-F880 HydrophobicContact CG1-CG 4.36Å; V876-F880 HydrophobicContact CG2-CD1 4.33Å; V876-F880 HydrophobicContact CG2-CE1 4.44Å; V876-F880 HydrophobicContact CG2-CG 4.4Å; D877-F880 WeakPolarHBondContact O-CB 3.39Å; D877-F880 PolarHBondContact O-N 2.86Å; D877-F880 VanDerWaalsContact O-N 3.13Å; D877-F880 PolarHBondContact OD1-N 3.38Å; F880-K882 VanDerWaalsContact C-N 3.3Å; F880-K882 PolarHBondContact O-N 2.88Å; F880-M883 PolarHBondContact O-N 3.49Å; F880-I884 HydrophobicContact CD1-CG1 4.07Å; F880-I884 HydrophobicContact CE1-CD1 4.32Å; F880-I884 HydrophobicContact CE1-CG1 3.62Å; F880-I884 HydrophobicContact CE2-CD1 4.48Å; F880-I884 HydrophobicContact CE2-CG1 4.42Å; F880-I884 HydrophobicContact CZ-CD1 4.01Å; F880-I884 HydrophobicContact CZ-CG1 3.82Å; F880-I884 WeakPolarHBondContact O-CG1 3.31Å; F880-I884 PolarHBondContact O-N 2.97Å
881	Y	90.5	Very high	90.5	Very high	49 Å²	49	63.8 Å²	63.8	19%	0.192	36%	0.356	C	S	.	.	H	α-helix	trans	-60.6	-39.8	177.9	-67.7	-68	0	0	0	112.3	V834 I842 F843 V876 D877 K879 K885	V834-Y881 HydrophobicContact CG1-CE1 3.74Å; I842-Y881 HydrophobicContact CG2-CD1 3.66Å; I842-Y881 HydrophobicContact CG2-CE1 3.63Å; F843-Y881 HydrophobicContact CE1-CD1 4.15Å; F843-Y881 HydrophobicContact CZ-CD1 4.49Å; F843-Y881 WeakPolarHBondContact CZ-O 3.31Å; V876-Y881 HydrophobicContact CG1-CE1 4.44Å; V876-Y881 HydrophobicContact CG1-CE2 4.03Å; D877-Y881 WeakPolarHBondContact O-CD2 3.41Å; D877-Y881 PolarHBondContact O-N 2.03Å; D877-Y881 VanDerWaalsContact O-N 3.16Å; K879-Y881 PolarHBondContact O-N 3.07Å; Y881-K885 WeakPolarHBondContact O-CB 3.4Å; Y881-K885 PolarHBondContact O-N 2.96Å; Y881-K885 VanDerWaalsContact O-N 3.12Å
882	K	90.2	Very high	90.5	Very high	62 Å²	62	65.6 Å²	65.6	27%	0.27	37%	0.369	S	S	.	.	H	α-helix	trans	-61.7	-51.9	177	-172.4	-176.6	169.7	-171.2	0	111.2	S878 K879 F880 I884 K885 E886	S878-K882 WeakPolarHBondContact O-CB 3.27Å; S878-K882 PolarHBondContact O-N 3.05Å; S878-K882 VanDerWaalsContact O-N 3.1Å; K879-K882 PolarHBondContact O-N 2.84Å; F880-K882 VanDerWaalsContact C-N 3.3Å; F880-K882 PolarHBondContact O-N 2.88Å; K882-I884 PolarHBondContact O-N 3.4Å; K882-K885 WeakPolarHBondContact O-CB 3.49Å; K882-K885 PolarHBondContact O-N 3.3Å; K882-K885 VanDerWaalsContact O-N 3.12Å; K882-E886 VanDerWaalsContact CE-CD 3.46Å; K882-E886 WeakPolarHBondContact CE-OE1 3.2Å; K882-E886 WeakPolarHBondContact CE-OE2 3.35Å; K882-E886 WeakPolarHBondContact CG-OE1 3.23Å; K882-E886 IonicContact NZ-OE1 2.72Å; K882-E886 PolarHBondContact O-N 3.4Å
883	M	91.9	Very high	90.6	Very high	29 Å²	29	62 Å²	62	14%	0.143	35%	0.345	C	S	.	.	H	α-helix	trans	-58.7	-44.7	179.6	-69	-178.9	-57.7	0	0	112.6	M874 K879 F880 K885 E886 G887 F888	M874-M883 HydrophobicContact CG-CE 4.47Å; M874-M883 HydrophobicContact SD-CE 3.47Å; M874-M883 WeakPolarHBondContact SD-CE 3.4Å; M874-M883 HydrophobicContact SD-SD 4.02Å; K879-M883 HydrophobicContact CG-CE 4.15Å; K879-M883 HydrophobicContact CG-CG 4.44Å; K879-M883 HydrophobicContact CG-SD 4.24Å; K879-M883 WeakPolarHBondContact O-CG 3.17Å; K879-M883 PolarHBondContact O-N 3.27Å; F880-M883 PolarHBondContact O-N 3.49Å; M883-K885 VanDerWaalsContact C-N 3.32Å; M883-K885 PolarHBondContact O-N 3Å; M883-E886 PolarHBondContact O-N 2.98Å; M883-G887 PolarHBondContact O-N 3.28Å; M883-F888 HydrophobicContact CB-CB 3.88Å; M883-F888 HydrophobicContact CB-CG 4.31Å; M883-F888 WeakPolarHBondContact O-CB 3.33Å; M883-F888 PolarHBondContact O-N 3.41Å
884	I	91.6	Very high	90.6	Very high	5 Å²	5	65.5 Å²	65.5	3%	0.026	34%	0.339	C	S	.	.	H	α-helix	trans	-63	-40.1	177.7	-64.4	-59.6	0	0	0	111.3	P839 I842 F843 Y871 F880 K882 E886 G887	P839-I884 HydrophobicContact CG-CG2 4.12Å; I842-I884 HydrophobicContact CD1-CG2 4.3Å; F843-I884 HydrophobicContact CE2-CG2 4.29Å; Y871-I884 HydrophobicContact CE1-CD1 3.71Å; Y871-I884 HydrophobicContact CE2-CD1 4.47Å; Y871-I884 WeakPolarHBondContact OH-CD1 3.1Å; F880-I884 HydrophobicContact CD1-CG1 4.07Å; F880-I884 HydrophobicContact CE1-CD1 4.32Å; F880-I884 HydrophobicContact CE1-CG1 3.62Å; F880-I884 HydrophobicContact CE2-CD1 4.48Å; F880-I884 HydrophobicContact CE2-CG1 4.42Å; F880-I884 HydrophobicContact CZ-CD1 4.01Å; F880-I884 HydrophobicContact CZ-CG1 3.82Å; F880-I884 WeakPolarHBondContact O-CG1 3.31Å; F880-I884 PolarHBondContact O-N 2.97Å; K882-I884 PolarHBondContact O-N 3.4Å; I884-E886 VanDerWaalsContact C-N 3.33Å; I884-G887 PolarHBondContact O-N 3.35Å
885	K	89.8	Confident	90.7	Very high	163 Å²	163	64.8 Å²	64.8	71%	0.709	34%	0.335	S	S	*	.	H	α-helix	trans	-66.3	-34.2	177.6	-168.2	177	-179.8	-175.9	0	112.4	F843 Y881 K882 M883 G887	F843-K885 HydrophobicContact CE2-CB 4.01Å; F843-K885 HydrophobicContact CE2-CG 4.41Å; F843-K885 HydrophobicContact CZ-CB 3.84Å; F843-K885 HydrophobicContact CZ-CG 4.47Å; Y881-K885 WeakPolarHBondContact O-CB 3.4Å; Y881-K885 PolarHBondContact O-N 2.96Å; Y881-K885 VanDerWaalsContact O-N 3.12Å; K882-K885 WeakPolarHBondContact O-CB 3.49Å; K882-K885 PolarHBondContact O-N 3.3Å; K882-K885 VanDerWaalsContact O-N 3.12Å; M883-K885 VanDerWaalsContact C-N 3.32Å; M883-K885 PolarHBondContact O-N 3Å; K885-G887 VanDerWaalsContact C-N 3.26Å; K885-G887 PolarHBondContact O-N 3.21Å
886	E	91.2	Very high	90.9	Very high	86 Å²	86	61.2 Å²	61.2	40%	0.402	31%	0.312	S	S	.	.	H	α-helix	trans	-79.2	-4.6	177.6	-77	162.2	-175.5	0	0	113.7	K882 M883 I884	K882-E886 VanDerWaalsContact CE-CD 3.46Å; K882-E886 WeakPolarHBondContact CE-OE1 3.2Å; K882-E886 WeakPolarHBondContact CE-OE2 3.35Å; K882-E886 WeakPolarHBondContact CG-OE1 3.23Å; K882-E886 IonicContact NZ-OE1 2.72Å; K882-E886 PolarHBondContact O-N 3.4Å; M883-E886 PolarHBondContact O-N 2.98Å; I884-E886 VanDerWaalsContact C-N 3.33Å
887	G	92	Very high	91.1	Very high	40 Å²	40	60 Å²	60	41%	0.412	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.9	7.3	174.5	0	0	0	0	0	114.6	M883 I884 K885 R889	M883-G887 PolarHBondContact O-N 3.28Å; I884-G887 PolarHBondContact O-N 3.35Å; K885-G887 VanDerWaalsContact C-N 3.26Å; K885-G887 PolarHBondContact O-N 3.21Å; G887-R889 PolarHBondContact O-N 3.04Å; G887-R889 PolarHBondContact O-NH1 3.39Å
888	F	92.8	Very high	91.2	Very high	84 Å²	84	59.8 Å²	59.8	37%	0.368	31%	0.313	S	S	.	.			trans	-57.7	135.7	175.8	-175.8	-90.3	0	0	0	111.7	Y871 M874 M883	Y871-F888 HydrophobicContact CD1-CD1 4.33Å; Y871-F888 HydrophobicContact CD1-CE1 4.02Å; Y871-F888 HydrophobicContact CE1-CD1 4.16Å; Y871-F888 HydrophobicContact CE1-CE1 4.21Å; M874-F888 HydrophobicContact CE-CD1 4.36Å; M874-F888 HydrophobicContact CE-CE1 3.44Å; M874-F888 VanDerWaalsContact CE-CE1 3.44Å; M874-F888 HydrophobicContact CE-CZ 3.82Å; M874-F888 HydrophobicContact SD-CE1 4.4Å; M883-F888 HydrophobicContact CB-CB 3.88Å; M883-F888 HydrophobicContact CB-CG 4.31Å; M883-F888 WeakPolarHBondContact O-CB 3.33Å; M883-F888 PolarHBondContact O-N 3.41Å
889	R	94	Very high	91.5	Very high	51 Å²	51	59.1 Å²	59.1	19%	0.192	30%	0.298	C	S	.	.			trans	-132.9	156.4	175.2	-57.4	-60.5	179.5	-95.8	-3.5	109.6	W854 G887 W908	W854-R889 VanDerWaalsContact CH2-NE 3.29Å; G887-R889 PolarHBondContact O-N 3.04Å; G887-R889 PolarHBondContact O-NH1 3.39Å; R889-W908 HydrophobicContact CB-CE3 4.17Å; R889-W908 HydrophobicContact CG-CB 4.42Å; R889-W908 PolarHBondContact NE-O 3.42Å; R889-W908 PolarHBondContact NH2-O 3.26Å
890	M	94	Very high	91.8	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.02	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-70.3	146.3	178.7	-65.9	178.3	-72.9	0	0	111.4	I858 W861 P870 Y871 Y901 W908	I858-M890 HydrophobicContact CD1-CE 3.36Å; I858-M890 HydrophobicContact CG2-CE 4.33Å; W861-M890 HydrophobicContact CB-CE 3.87Å; W861-M890 HydrophobicContact CD2-CE 4.01Å; W861-M890 HydrophobicContact CD2-SD 3.65Å; W861-M890 HydrophobicContact CE3-SD 4.03Å; W861-M890 HydrophobicContact CG-CE 3.68Å; W861-M890 HydrophobicContact CG-SD 3.94Å; W861-M890 HydrophobicContact CZ2-SD 4.29Å; P870-M890 HydrophobicContact CB-CE 4.16Å; P870-M890 HydrophobicContact CB-SD 3.83Å; Y871-M890 HydrophobicContact CD1-CG 3.39Å; Y871-M890 HydrophobicContact CD1-SD 4.07Å; Y871-M890 HydrophobicContact CD2-CG 4.4Å; Y871-M890 HydrophobicContact CD2-SD 4.03Å; Y871-M890 HydrophobicContact CE1-CG 3.49Å; Y871-M890 VanDerWaalsContact CE1-CG 3.49Å; Y871-M890 HydrophobicContact CE1-SD 4.29Å; Y871-M890 HydrophobicContact CE2-CE 4.18Å; Y871-M890 HydrophobicContact CE2-CG 4.44Å; Y871-M890 HydrophobicContact CE2-SD 4.22Å; Y871-M890 HydrophobicContact CG-CG 3.9Å; Y871-M890 HydrophobicContact CG-SD 3.96Å; Y871-M890 PolarHBondContact N-SD 3.09Å; M890-Y901 PolarHBondContact O-OH 2.82Å; M890-Y901 VanDerWaalsContact O-OH 3.08Å; M890-W908 HydrophobicContact CB-CH2 4.3Å; M890-W908 HydrophobicContact CB-CZ3 4.45Å; M890-W908 HydrophobicContact CE-CH2 3.7Å; M890-W908 HydrophobicContact CE-CZ2 3.61Å
891	L	93.1	Very high	92.1	Very high	122 Å²	122	53.7 Å²	53.7	64%	0.639	27%	0.274	S	S	*	.	P	Polyproline II helix	trans	-65	163.4	169.8	-58.4	174.8	0	0	0	111.5	E367 W861 Y901	E367-L891 WeakPolarHBondContact OE1-CA 3.46Å; E367-L891 WeakPolarHBondContact OE1-CD2 3.16Å; W861-L891 PolarHBondContact NE1-O 3.39Å; L891-Y901 WeakPolarHBondContact CA-OH 3.42Å
892	S	93.6	Very high	92.4	Very high	40 Å²	40	54.9 Å²	54.9	28%	0.28	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-56.7	132.3	177.6	-174.7	0	0	0	0	111.6	E367 Y901	E367-S892 PolarHBondContact OE2-N 3.49Å; S892-Y901 VanDerWaalsContact CA-CE2 3.46Å; S892-Y901 VanDerWaalsContact N-CZ 3.29Å; S892-Y901 PolarHBondContact N-OH 2.87Å
893	P	93.5	Very high	92.7	Very high	6 Å²	6	52.3 Å²	52.3	4%	0.039	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-72.5	154.4	174.9	32.1	-34.4	0	0	0	111	W861 F864 H895 A896 M904	W861-P893 HydrophobicContact CD2-CB 4.4Å; W861-P893 HydrophobicContact CG-CB 4.37Å; W861-P893 HydrophobicContact CG-CG 4.35Å; F864-P893 HydrophobicContact CB-CB 4.15Å; F864-P893 HydrophobicContact CB-CG 3.58Å; P893-H895 VanDerWaalsContact C-N 3.28Å; P893-H895 PolarHBondContact O-N 2.74Å; P893-H895 VanDerWaalsContact O-N 3.09Å; P893-A896 HydrophobicContact CG-CB 3.68Å; P893-A896 PolarHBondContact O-N 2.97Å; P893-A896 VanDerWaalsContact O-N 3.17Å; P893-M904 HydrophobicContact CG-CE 3.88Å; P893-M904 HydrophobicContact CG-SD 4.28Å
894	E	87.7	Confident	93	Very high	159 Å²	159	51 Å²	51	74%	0.743	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-36.8	-167	-171.2	179.1	166.9	0	0	114.8
895	H	90.2	Very high	93.2	Very high	28 Å²	28	54.6 Å²	54.6	13%	0.13	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	5.8	-173.5	-51	-59.1	0	0	0	114.1	F690 F864 L866 P893	F690-H895 HydrophobicContact CE1-CB 3.93Å; F690-H895 AromaticContact CE1-CG 3.58Å; F690-H895 AromaticContact CE1-ND1 3.69Å; F690-H895 HydrophobicContact CZ-CB 4.19Å; F864-H895 WeakPolarHBondContact CD1-O 3.17Å; F864-H895 WeakPolarHBondContact O-CB 3.16Å; F864-H895 PolarHBondContact O-N 3.06Å; L866-H895 VanDerWaalsContact CD1-CD2 3.49Å; L866-H895 WeakPolarHBondContact CD1-CD2 3.31Å; L866-H895 WeakPolarHBondContact CD1-NE2 3.49Å; P893-H895 VanDerWaalsContact C-N 3.28Å; P893-H895 PolarHBondContact O-N 2.74Å; P893-H895 VanDerWaalsContact O-N 3.09Å
896	A	90.9	Very high	93.6	Very high	11 Å²	11	49.7 Å²	49.7	9%	0.091	27%	0.266	C	S	.	.			trans	-73	132.2	178.6	0	0	0	0	0	112.3	F864 P893 M904	F864-A896 HydrophobicContact CB-CB 3.87Å; F864-A896 HydrophobicContact CD1-CB 4.13Å; F864-A896 HydrophobicContact CG-CB 3.95Å; P893-A896 HydrophobicContact CG-CB 3.68Å; P893-A896 PolarHBondContact O-N 2.97Å; P893-A896 VanDerWaalsContact O-N 3.17Å; A896-M904 HydrophobicContact CB-CE 3.98Å
897	P	90.8	Very high	93.9	Very high	11 Å²	11	45.6 Å²	45.6	7%	0.071	25%	0.247	C	C	.	.			trans	-59.9	151.4	158.2	-21	34.2	0	0	0	110.9	L767 E899 M900 Y901	L767-P897 HydrophobicContact CD1-CG 4.11Å; L767-P897 HydrophobicContact CD2-CG 4.19Å; P897-E899 WeakPolarHBondContact CB-OE2 3.37Å; P897-E899 PolarHBondContact O-N 2.86Å; P897-M900 HydrophobicContact CB-CB 4.46Å; P897-M900 WeakPolarHBondContact O-CB 3.48Å; P897-M900 PolarHBondContact O-N 3.03Å; P897-Y901 PolarHBondContact O-N 2.66Å; P897-Y901 VanDerWaalsContact O-N 3.1Å
898	A	91.2	Very high	94.2	Very high	62 Å²	62	44 Å²	44	51%	0.512	23%	0.228	S	C	.	.	H	α-helix	trans	-59.1	-39.3	-177.6	0	0	0	0	0	111.2	M900 Y901 D902	A898-M900 VanDerWaalsContact C-N 3.28Å; A898-M900 PolarHBondContact O-N 2.91Å; A898-Y901 PolarHBondContact O-N 2.88Å; A898-D902 PolarHBondContact O-N 3.05Å
899	E	92.7	Very high	94.3	Very high	91 Å²	91	42.5 Å²	42.5	43%	0.425	22%	0.224	S	C	.	.	H	α-helix	trans	-62.4	-35.2	177.7	-58.3	79.1	-174.4	0	0	111.9	P897 D902 I903 Q928	P897-E899 WeakPolarHBondContact CB-OE2 3.37Å; P897-E899 PolarHBondContact O-N 2.86Å; E899-D902 PolarHBondContact O-N 3.45Å; E899-I903 WeakPolarHBondContact O-CG1 3.35Å; E899-I903 PolarHBondContact O-N 2.98Å; E899-I903 VanDerWaalsContact O-N 3.16Å; E899-Q928 HydrophobicContact CB-CG 4.36Å
900	M	95.7	Very high	94.3	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-74	-38	176.8	-169.6	60	66.9	0	0	111.5	L771 L860 F864 P897 A898 D902 I903 M904 I925	L771-M900 HydrophobicContact CD2-CE 3.52Å; L860-M900 HydrophobicContact CD1-SD 3.81Å; L860-M900 HydrophobicContact CD2-SD 4.23Å; F864-M900 HydrophobicContact CD2-CG 3.9Å; F864-M900 HydrophobicContact CE2-CB 4.47Å; F864-M900 HydrophobicContact CE2-CE 4.19Å; F864-M900 HydrophobicContact CE2-CG 3.37Å; F864-M900 HydrophobicContact CE2-SD 4.05Å; F864-M900 HydrophobicContact CZ-CB 4.45Å; F864-M900 HydrophobicContact CZ-CE 4.05Å; F864-M900 HydrophobicContact CZ-CG 3.72Å; F864-M900 HydrophobicContact CZ-SD 4.45Å; P897-M900 HydrophobicContact CB-CB 4.46Å; P897-M900 WeakPolarHBondContact O-CB 3.48Å; P897-M900 PolarHBondContact O-N 3.03Å; A898-M900 VanDerWaalsContact C-N 3.28Å; A898-M900 PolarHBondContact O-N 2.91Å; M900-D902 VanDerWaalsContact C-N 3.3Å; M900-D902 PolarHBondContact O-N 2.99Å; M900-I903 HydrophobicContact CE-CD1 4.47Å; M900-I903 WeakPolarHBondContact O-CB 3.33Å; M900-I903 PolarHBondContact O-N 3.4Å; M900-I903 HydrophobicContact SD-CB 4.44Å; M900-I903 HydrophobicContact SD-CD1 4.01Å; M900-M904 HydrophobicContact CG-CE 3.87Å; M900-M904 WeakPolarHBondContact O-CG 3.36Å; M900-M904 PolarHBondContact O-N 3.45Å; M900-I925 HydrophobicContact CE-CG1 4.1Å; M900-I925 HydrophobicContact CE-CG2 4.17Å; M900-I925 HydrophobicContact SD-CG1 4.42Å
901	Y	96.9	Very high	94.3	Very high	23 Å²	23	46 Å²	46	9%	0.09	26%	0.257	C	S	.	.	H	α-helix	trans	-66.2	-33.6	173.1	-176	-127.8	0	0	0	112	E367 M890 L891 S892 P897 A898 I903 M904 K905 W908	E367-Y901 PolarHBondContact OE1-OH 3.24Å; M890-Y901 PolarHBondContact O-OH 2.82Å; M890-Y901 VanDerWaalsContact O-OH 3.08Å; L891-Y901 WeakPolarHBondContact CA-OH 3.42Å; S892-Y901 VanDerWaalsContact CA-CE2 3.46Å; S892-Y901 VanDerWaalsContact N-CZ 3.29Å; S892-Y901 PolarHBondContact N-OH 2.87Å; P897-Y901 PolarHBondContact O-N 2.66Å; P897-Y901 VanDerWaalsContact O-N 3.1Å; A898-Y901 PolarHBondContact O-N 2.88Å; Y901-I903 VanDerWaalsContact C-N 3.34Å; Y901-I903 PolarHBondContact O-N 3.18Å; Y901-M904 HydrophobicContact CD2-CB 4.35Å; Y901-M904 HydrophobicContact CD2-SD 4.26Å; Y901-M904 WeakPolarHBondContact O-CB 3.38Å; Y901-M904 PolarHBondContact O-N 2.65Å; Y901-K905 HydrophobicContact CD1-CD 4.31Å; Y901-K905 HydrophobicContact CE1-CD 4Å; Y901-K905 HydrophobicContact CE1-CG 4.44Å; Y901-K905 HydrophobicContact CE2-CG 4.36Å; Y901-K905 WeakPolarHBondContact O-CG 3.39Å; Y901-K905 PolarHBondContact O-N 3.02Å; Y901-W908 HydrophobicContact CE2-CZ3 4.38Å
902	D	96.2	Very high	94.3	Very high	75 Å²	75	41.8 Å²	41.8	40%	0.401	24%	0.237	S	C	.	.	H	α-helix	trans	-60.4	-42.7	169.9	-72.9	-24.3	0	0	0	111.8	A898 E899 M900 M904 K905 T906	A898-D902 PolarHBondContact O-N 3.05Å; E899-D902 PolarHBondContact O-N 3.45Å; M900-D902 VanDerWaalsContact C-N 3.3Å; M900-D902 PolarHBondContact O-N 2.99Å; D902-M904 PolarHBondContact O-N 2.82Å; D902-K905 PolarHBondContact O-N 2.95Å; D902-K905 WeakPolarHBondContact OD1-CE 3.49Å; D902-K905 IonicContact OD1-NZ 3.9Å; D902-K905 PolarHBondContact OD1-NZ 3.27Å; D902-T906 WeakPolarHBondContact O-CG2 3.32Å; D902-T906 PolarHBondContact O-N 2.93Å
903	I	96.8	Very high	94.3	Very high	8 Å²	8	45.5 Å²	45.5	4%	0.041	25%	0.253	C	S	.	.	H	α-helix	trans	-59.7	-46.1	172.9	-64.3	166.9	0	0	0	110.5	L860 E899 M900 Y901 K905 T906 C907 I921 L924 I925	L860-I903 HydrophobicContact CD1-CG2 4.09Å; E899-I903 WeakPolarHBondContact O-CG1 3.35Å; E899-I903 PolarHBondContact O-N 2.98Å; E899-I903 VanDerWaalsContact O-N 3.16Å; M900-I903 HydrophobicContact CE-CD1 4.47Å; M900-I903 WeakPolarHBondContact O-CB 3.33Å; M900-I903 PolarHBondContact O-N 3.4Å; M900-I903 HydrophobicContact SD-CB 4.44Å; M900-I903 HydrophobicContact SD-CD1 4.01Å; Y901-I903 VanDerWaalsContact C-N 3.34Å; Y901-I903 PolarHBondContact O-N 3.18Å; I903-K905 PolarHBondContact O-N 3.49Å; I903-T906 PolarHBondContact O-N 2.95Å; I903-T906 PolarHBondContact O-OG1 3.04Å; I903-C907 PolarHBondContact O-N 3.37Å; I903-C907 PolarHBondContact O-SG 3.18Å; I903-I921 HydrophobicContact CG2-CG2 4.37Å; I903-L924 HydrophobicContact CD1-CB 3.78Å; I903-L924 HydrophobicContact CG1-CB 4.09Å; I903-L924 HydrophobicContact CG1-CD1 4.24Å; I903-I925 HydrophobicContact CD1-CG1 3.77Å
904	M	98	Very high	94.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-57.4	-46.3	176.9	-62.8	-178.3	-145.8	0	0	111.9	L860 W861 F864 P893 A896 M900 Y901 D902 T906 C907 W908	L860-M904 HydrophobicContact CB-CE 3.9Å; L860-M904 HydrophobicContact CB-CG 3.79Å; L860-M904 HydrophobicContact CB-SD 4.08Å; L860-M904 HydrophobicContact CD1-CG 4Å; W861-M904 HydrophobicContact CB-SD 4.12Å; F864-M904 HydrophobicContact CB-CE 4.33Å; F864-M904 HydrophobicContact CD2-CE 3.78Å; F864-M904 HydrophobicContact CG-CE 4.3Å; P893-M904 HydrophobicContact CG-CE 3.88Å; P893-M904 HydrophobicContact CG-SD 4.28Å; A896-M904 HydrophobicContact CB-CE 3.98Å; M900-M904 HydrophobicContact CG-CE 3.87Å; M900-M904 WeakPolarHBondContact O-CG 3.36Å; M900-M904 PolarHBondContact O-N 3.45Å; Y901-M904 HydrophobicContact CD2-CB 4.35Å; Y901-M904 HydrophobicContact CD2-SD 4.26Å; Y901-M904 WeakPolarHBondContact O-CB 3.38Å; Y901-M904 PolarHBondContact O-N 2.65Å; D902-M904 PolarHBondContact O-N 2.82Å; M904-T906 VanDerWaalsContact C-N 3.35Å; M904-T906 PolarHBondContact O-N 3.46Å; M904-C907 WeakPolarHBondContact O-CB 3.33Å; M904-C907 PolarHBondContact O-N 2.99Å; M904-C907 VanDerWaalsContact O-N 3.09Å; M904-W908 HydrophobicContact CB-CE3 4.39Å; M904-W908 HydrophobicContact CB-CH2 3.99Å; M904-W908 HydrophobicContact CB-CZ2 4.29Å; M904-W908 HydrophobicContact CB-CZ3 4.06Å; M904-W908 PolarHBondContact O-N 3.27Å; M904-W908 VanDerWaalsContact O-N 3.1Å; M904-W908 HydrophobicContact SD-CH2 4.28Å
905	K	96.8	Very high	94.9	Very high	81 Å²	81	44.7 Å²	44.7	35%	0.352	25%	0.246	S	C	.	.	H	α-helix	trans	-59.6	-42.5	177.1	-73.5	-179.1	-62.9	-175	0	112.3	Y901 D902 I903 C907 W908 D909	Y901-K905 HydrophobicContact CD1-CD 4.31Å; Y901-K905 HydrophobicContact CE1-CD 4Å; Y901-K905 HydrophobicContact CE1-CG 4.44Å; Y901-K905 HydrophobicContact CE2-CG 4.36Å; Y901-K905 WeakPolarHBondContact O-CG 3.39Å; Y901-K905 PolarHBondContact O-N 3.02Å; D902-K905 PolarHBondContact O-N 2.95Å; D902-K905 WeakPolarHBondContact OD1-CE 3.49Å; D902-K905 IonicContact OD1-NZ 3.9Å; D902-K905 PolarHBondContact OD1-NZ 3.27Å; I903-K905 PolarHBondContact O-N 3.49Å; K905-C907 VanDerWaalsContact C-N 3.29Å; K905-C907 PolarHBondContact O-N 3.04Å; K905-W908 CarbonylContact O-C 3.54Å; K905-W908 PolarHBondContact O-N 3.24Å; K905-W908 VanDerWaalsContact O-N 3.15Å; K905-D909 PolarHBondContact O-N 2.61Å
906	T	97.2	Very high	95.2	Very high	61 Å²	61	44 Å²	44	37%	0.374	24%	0.244	S	C	.	.	H	α-helix	trans	-66.1	-30.9	175.9	63	0	0	0	0	112.8	D902 I903 M904 W908 P916	D902-T906 WeakPolarHBondContact O-CG2 3.32Å; D902-T906 PolarHBondContact O-N 2.93Å; I903-T906 PolarHBondContact O-N 2.95Å; I903-T906 PolarHBondContact O-OG1 3.04Å; M904-T906 VanDerWaalsContact C-N 3.35Å; M904-T906 PolarHBondContact O-N 3.46Å; T906-W908 VanDerWaalsContact C-N 3.3Å; T906-P916 VanDerWaalsContact O-CD 3.26Å; T906-P916 WeakPolarHBondContact O-CD 3.25Å
907	C	98.1	Very high	95.5	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-70.2	-26.4	173.6	-63.2	0	0	0	0	112.6	V853 W854 I903 M904 K905 R915	V853-C907 HydrophobicContact CG1-CB 3.94Å; V853-C907 WeakPolarHBondContact O-CB 3.03Å; W854-C907 WeakPolarHBondContact CA-O 3.43Å; I903-C907 PolarHBondContact O-N 3.37Å; I903-C907 PolarHBondContact O-SG 3.18Å; M904-C907 WeakPolarHBondContact O-CB 3.33Å; M904-C907 PolarHBondContact O-N 2.99Å; M904-C907 VanDerWaalsContact O-N 3.09Å; K905-C907 VanDerWaalsContact C-N 3.29Å; K905-C907 PolarHBondContact O-N 3.04Å; C907-R915 VanDerWaalsContact O-CD 3.27Å; C907-R915 WeakPolarHBondContact O-CD 3.17Å
908	W	97.5	Very high	95.8	Very high	5 Å²	5	46.8 Å²	46.8	2%	0.019	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	20.8	-178.9	-57.1	-34.7	0	0	0	114.8	W854 G857 I858 W861 R889 M890 Y901 M904 K905 T906 A910	W854-W908 AromaticContact CD2-CD1 3.77Å; W854-W908 AromaticContact CE2-CD1 3.97Å; W854-W908 HydrophobicContact CE3-CB 4.13Å; W854-W908 HydrophobicContact CH2-CB 4.42Å; W854-W908 HydrophobicContact CZ3-CB 4.02Å; W854-W908 WeakPolarHBondContact CZ3-O 3.34Å; W854-W908 PolarHBondContact O-NE1 2.67Å; G857-W908 VanDerWaalsContact C-CZ2 3.42Å; G857-W908 WeakPolarHBondContact O-CZ2 3.47Å; I858-W908 HydrophobicContact CD1-CZ2 3.74Å; I858-W908 HydrophobicContact CG1-CZ2 4.45Å; W861-W908 HydrophobicContact CB-CH2 4.1Å; W861-W908 HydrophobicContact CB-CZ2 4.15Å; W861-W908 AromaticContact CD1-CH2 3.93Å; W861-W908 HydrophobicContact CG-CH2 4.3Å; R889-W908 HydrophobicContact CB-CE3 4.17Å; R889-W908 HydrophobicContact CG-CB 4.42Å; R889-W908 PolarHBondContact NE-O 3.42Å; R889-W908 PolarHBondContact NH2-O 3.26Å; M890-W908 HydrophobicContact CB-CH2 4.3Å; M890-W908 HydrophobicContact CB-CZ3 4.45Å; M890-W908 HydrophobicContact CE-CH2 3.7Å; M890-W908 HydrophobicContact CE-CZ2 3.61Å; Y901-W908 HydrophobicContact CE2-CZ3 4.38Å; M904-W908 HydrophobicContact CB-CE3 4.39Å; M904-W908 HydrophobicContact CB-CH2 3.99Å; M904-W908 HydrophobicContact CB-CZ2 4.29Å; M904-W908 HydrophobicContact CB-CZ3 4.06Å; M904-W908 PolarHBondContact O-N 3.27Å; M904-W908 VanDerWaalsContact O-N 3.1Å; M904-W908 HydrophobicContact SD-CH2 4.28Å; K905-W908 CarbonylContact O-C 3.54Å; K905-W908 PolarHBondContact O-N 3.24Å; K905-W908 VanDerWaalsContact O-N 3.15Å; T906-W908 VanDerWaalsContact C-N 3.3Å; W908-A910 PolarHBondContact O-N 2.93Å
909	D	96.3	Very high	96.1	Very high	54 Å²	54	51 Å²	51	29%	0.289	27%	0.266	S	S	.	.			trans	-56.8	136.6	171.4	-159.7	-56.1	0	0	0	109.7	K905 D911 K914 R915	K905-D909 PolarHBondContact O-N 2.61Å; D909-D911 PolarHBondContact O-N 2.78Å; D909-D911 PolarHBondContact OD1-N 2.92Å; D909-K914 HydrophobicContact CB-CB 4.16Å; D909-R915 HydrophobicContact CB-CG 4.06Å; D909-R915 PolarHBondContact O-NE 3.42Å; D909-R915 PolarHBondContact O-NH2 2.79Å
910	A	93.1	Very high	96.3	Very high	69 Å²	69	51 Å²	51	57%	0.57	27%	0.266	S	S	*	.	S	Bend	trans	-64.9	-31	-179.9	0	0	0	0	0	111.5	W908 P912	W908-A910 PolarHBondContact O-N 2.93Å; A910-P912 WeakPolarHBondContact O-CD 3.46Å
911	D	93.5	Very high	96.4	Very high	60 Å²	60	51 Å²	51	32%	0.321	27%	0.266	S	S	.	.	S	Bend	trans	-87.3	113.5	173.4	-177.8	-3.2	0	0	0	109.8	D909 L913 K914	D909-D911 PolarHBondContact O-N 2.78Å; D909-D911 PolarHBondContact OD1-N 2.92Å; D911-L913 PolarHBondContact O-N 2.9Å; D911-L913 VanDerWaalsContact O-N 3.13Å; D911-L913 WeakPolarHBondContact OD1-CB 3.4Å; D911-L913 PolarHBondContact OD1-N 3.02Å; D911-K914 HydrophobicContact CB-CB 4.33Å; D911-K914 HydrophobicContact CB-CD 4Å; D911-K914 HydrophobicContact CB-CG 4.03Å; D911-K914 PolarHBondContact O-N 2.95Å; D911-K914 WeakPolarHBondContact OD2-CE 2.99Å
912	P	94.1	Very high	96.4	Very high	33 Å²	33	50.6 Å²	50.6	21%	0.214	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-53.6	-34.7	179	-24.8	34.3	0	0	0	113.1	E840 E850 A910 K914 R915	E840-P912 HydrophobicContact CG-CG 4.22Å; E850-P912 HydrophobicContact CB-CB 3.78Å; E850-P912 WeakPolarHBondContact CB-O 3.14Å; E850-P912 HydrophobicContact CG-CB 4.24Å; E850-P912 WeakPolarHBondContact CG-O 3.44Å; A910-P912 WeakPolarHBondContact O-CD 3.46Å; P912-K914 PolarHBondContact O-N 2.88Å; P912-R915 WeakPolarHBondContact O-CB 3.43Å; P912-R915 PolarHBondContact O-N 2.96Å
913	L	92.4	Very high	96.3	Very high	118 Å²	118	51.5 Å²	51.5	62%	0.618	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-71.7	-17.1	-176.8	-62	176.3	0	0	0	113.6	D911	D911-L913 PolarHBondContact O-N 2.9Å; D911-L913 VanDerWaalsContact O-N 3.13Å; D911-L913 WeakPolarHBondContact OD1-CB 3.4Å; D911-L913 PolarHBondContact OD1-N 3.02Å
914	K	96	Very high	96.2	Very high	138 Å²	138	54.2 Å²	54.2	60%	0.6	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-88.8	-14.4	176	-68.8	-176.4	-172.5	172	0	113.2	D909 D911 P912	D909-K914 HydrophobicContact CB-CB 4.16Å; D911-K914 HydrophobicContact CB-CB 4.33Å; D911-K914 HydrophobicContact CB-CD 4Å; D911-K914 HydrophobicContact CB-CG 4.03Å; D911-K914 PolarHBondContact O-N 2.95Å; D911-K914 WeakPolarHBondContact OD2-CE 2.99Å; P912-K914 PolarHBondContact O-N 2.88Å
915	R	97.6	Very high	95.9	Very high	10 Å²	10	54.2 Å²	54.2	4%	0.038	28%	0.282	C	S	.	.	S	Bend	trans	-67.3	139.4	178	-59.3	177.6	-166.1	151.9	10.6	109.4	E840 E850 V853 C907 D909 P912	E840-R915 IonicContact OE1-CZ 3.31Å; E840-R915 IonicContact OE1-NH1 2.67Å; E840-R915 PolarHBondContact OE1-NH1 2.75Å; E840-R915 IonicContact OE1-NH2 2.66Å; E840-R915 PolarHBondContact OE1-NH2 3.4Å; E840-R915 IonicContact OE2-CZ 2.76Å; E840-R915 IonicContact OE2-NH1 2.92Å; E840-R915 IonicContact OE2-NH2 2.78Å; E840-R915 PolarHBondContact OE2-NH2 2.55Å; E850-R915 WeakPolarHBondContact O-CD 3.45Å; E850-R915 PolarHBondContact O-NH1 3.17Å; V853-R915 HydrophobicContact CG1-CB 3.89Å; C907-R915 VanDerWaalsContact O-CD 3.27Å; C907-R915 WeakPolarHBondContact O-CD 3.17Å; D909-R915 HydrophobicContact CB-CG 4.06Å; D909-R915 PolarHBondContact O-NE 3.42Å; D909-R915 PolarHBondContact O-NH2 2.79Å; P912-R915 WeakPolarHBondContact O-CB 3.43Å; P912-R915 PolarHBondContact O-N 2.96Å
916	P	97.5	Very high	95.6	Very high	14 Å²	14	53.7 Å²	53.7	9%	0.091	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-68.3	144.2	-179.9	28.7	-34.5	0	0	0	110.6	V853 T906 Q920 I921	V853-P916 HydrophobicContact CG1-CG 4.48Å; V853-P916 WeakPolarHBondContact CG1-O 3.49Å; V853-P916 VanDerWaalsContact CG2-O 3.29Å; V853-P916 WeakPolarHBondContact CG2-O 3.31Å; T906-P916 VanDerWaalsContact O-CD 3.26Å; T906-P916 WeakPolarHBondContact O-CD 3.25Å; P916-Q920 HydrophobicContact CB-CB 4.09Å; P916-I921 HydrophobicContact CB-CG1 3.99Å; P916-I921 HydrophobicContact CG-CD1 4.05Å; P916-I921 HydrophobicContact CG-CG1 3.69Å
917	T	97.3	Very high	95.2	Very high	73 Å²	73	58.5 Å²	58.5	45%	0.448	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-63.8	153.1	168.1	62.7	0	0	0	0	110.5	K919 Q920 I921	T917-K919 PolarHBondContact O-N 2.78Å; T917-K919 VanDerWaalsContact O-N 3.09Å; T917-Q920 WeakPolarHBondContact O-CA 3.5Å; T917-Q920 WeakPolarHBondContact O-CB 3.46Å; T917-Q920 PolarHBondContact O-N 3.36Å; T917-Q920 WeakPolarHBondContact OG1-CG 3.42Å; T917-Q920 PolarHBondContact OG1-N 3.12Å; T917-Q920 PolarHBondContact OG1-OE1 2.84Å; T917-I921 PolarHBondContact O-N 3.09Å
918	F	97.7	Very high	94.5	Very high	7 Å²	7	61.6 Å²	61.6	3%	0.031	31%	0.311	C	S	.	.	H	α-helix	trans	-55.5	-31.6	175.2	-78.1	-68.2	0	0	0	113.4	M781 A782 A785 L794 D852 V853 Y856 Q920 I921 V922	M781-F918 HydrophobicContact CB-CB 4.49Å; M781-F918 HydrophobicContact CB-CD1 3.37Å; M781-F918 HydrophobicContact CB-CD2 3.79Å; M781-F918 HydrophobicContact CB-CE1 3.31Å; M781-F918 HydrophobicContact CB-CE2 3.74Å; M781-F918 HydrophobicContact CB-CG 3.62Å; M781-F918 HydrophobicContact CB-CZ 3.51Å; M781-F918 HydrophobicContact CE-CE2 3.68Å; M781-F918 HydrophobicContact CE-CZ 3.63Å; M781-F918 HydrophobicContact CG-CD1 4.27Å; M781-F918 HydrophobicContact CG-CE1 3.73Å; M781-F918 HydrophobicContact CG-CE2 4.38Å; M781-F918 HydrophobicContact CG-CZ 3.8Å; A782-F918 HydrophobicContact CB-CB 3.79Å; A785-F918 HydrophobicContact CB-CD2 4.35Å; L794-F918 HydrophobicContact CD2-CZ 4.46Å; D852-F918 HydrophobicContact CB-CE2 3.96Å; D852-F918 HydrophobicContact CB-CZ 4.1Å; V853-F918 HydrophobicContact CB-CZ 4.49Å; V853-F918 HydrophobicContact CG2-CD2 3.97Å; V853-F918 HydrophobicContact CG2-CE1 4.31Å; V853-F918 HydrophobicContact CG2-CE2 3.68Å; V853-F918 HydrophobicContact CG2-CG 4.39Å; V853-F918 HydrophobicContact CG2-CZ 3.87Å; Y856-F918 HydrophobicContact CD1-CE1 4.31Å; Y856-F918 AromaticContact CD2-CE1 3.9Å; Y856-F918 HydrophobicContact CD2-CE1 3.9Å; Y856-F918 AromaticContact CG-CE1 3.67Å; Y856-F918 HydrophobicContact CG-CE1 3.67Å; F918-Q920 PolarHBondContact O-N 2.88Å; F918-I921 HydrophobicContact CD1-CD1 4.06Å; F918-I921 HydrophobicContact CE1-CD1 4.36Å; F918-I921 PolarHBondContact O-N 2.89Å; F918-V922 VanDerWaalsContact O-CG2 3.28Å; F918-V922 WeakPolarHBondContact O-CG2 3.16Å; F918-V922 PolarHBondContact O-N 2.97Å
919	K	96.3	Very high	93.7	Very high	150 Å²	150	62 Å²	62	65%	0.652	31%	0.313	S	S	*	.	H	α-helix	trans	-62.4	-41.3	173.4	-174	179.2	179	-178.7	0	112.3	T917 Q923	T917-K919 PolarHBondContact O-N 2.78Å; T917-K919 VanDerWaalsContact O-N 3.09Å; K919-Q923 WeakPolarHBondContact O-CG 3.35Å; K919-Q923 PolarHBondContact O-N 2.9Å
920	Q	97.2	Very high	92.5	Very high	92 Å²	92	61.4 Å²	61.4	43%	0.43	31%	0.313	S	S	.	.	H	α-helix	trans	-69	-40.9	175.2	-71.7	161.8	-43.1	0	0	111.1	P916 T917 F918 V922 Q923 L924	P916-Q920 HydrophobicContact CB-CB 4.09Å; T917-Q920 WeakPolarHBondContact O-CA 3.5Å; T917-Q920 WeakPolarHBondContact O-CB 3.46Å; T917-Q920 PolarHBondContact O-N 3.36Å; T917-Q920 WeakPolarHBondContact OG1-CG 3.42Å; T917-Q920 PolarHBondContact OG1-N 3.12Å; T917-Q920 PolarHBondContact OG1-OE1 2.84Å; F918-Q920 PolarHBondContact O-N 2.88Å; Q920-V922 PolarHBondContact O-N 2.79Å; Q920-Q923 WeakPolarHBondContact O-CB 3.35Å; Q920-Q923 PolarHBondContact O-N 2.8Å; Q920-Q923 VanDerWaalsContact O-N 3.16Å; Q920-L924 WeakPolarHBondContact O-CG 3.26Å; Q920-L924 PolarHBondContact O-N 2.78Å
921	I	97.5	Very high	91.1	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-58.5	-46.5	175.6	-64.7	173.8	0	0	0	110.9	A778 V853 Y856 I903 P916 T917 F918 Q923 L924 I925	A778-I921 HydrophobicContact CB-CG2 3.98Å; V853-I921 HydrophobicContact CG1-CD1 3.93Å; V853-I921 HydrophobicContact CG2-CD1 4.31Å; Y856-I921 HydrophobicContact CD1-CD1 3.97Å; Y856-I921 HydrophobicContact CD1-CG2 4.15Å; Y856-I921 HydrophobicContact CE1-CD1 4.28Å; Y856-I921 HydrophobicContact CE1-CG2 3.4Å; Y856-I921 VanDerWaalsContact CE1-CG2 3.4Å; I903-I921 HydrophobicContact CG2-CG2 4.37Å; P916-I921 HydrophobicContact CB-CG1 3.99Å; P916-I921 HydrophobicContact CG-CD1 4.05Å; P916-I921 HydrophobicContact CG-CG1 3.69Å; T917-I921 PolarHBondContact O-N 3.09Å; F918-I921 HydrophobicContact CD1-CD1 4.06Å; F918-I921 HydrophobicContact CE1-CD1 4.36Å; F918-I921 PolarHBondContact O-N 2.89Å; I921-Q923 VanDerWaalsContact C-N 3.28Å; I921-Q923 PolarHBondContact O-N 3.41Å; I921-L924 PolarHBondContact O-N 2.94Å; I921-L924 VanDerWaalsContact O-N 3.11Å; I921-I925 HydrophobicContact CG2-CD1 3.69Å; I921-I925 HydrophobicContact CG2-CG1 4.33Å; I921-I925 WeakPolarHBondContact O-CG1 3.41Å; I921-I925 PolarHBondContact O-N 2.71Å
922	V	96.4	Very high	89.4	Confident	15 Å²	15	66.1 Å²	66.1	9%	0.091	33%	0.329	C	S	.	.	H	α-helix	trans	-53.9	-46.6	175.5	169	0	0	0	0	110.7	Y775 A778 K779 A782 F918 Q920 L924 I925 E926	Y775-V922 HydrophobicContact CD2-CG1 4.28Å; Y775-V922 HydrophobicContact CE2-CG1 3.67Å; A778-V922 HydrophobicContact CB-CG2 3.65Å; K779-V922 HydrophobicContact CG-CG1 4.07Å; K779-V922 HydrophobicContact CG-CG2 3.95Å; A782-V922 HydrophobicContact CB-CG2 4.35Å; F918-V922 VanDerWaalsContact O-CG2 3.28Å; F918-V922 WeakPolarHBondContact O-CG2 3.16Å; F918-V922 PolarHBondContact O-N 2.97Å; Q920-V922 PolarHBondContact O-N 2.79Å; V922-L924 PolarHBondContact O-N 3.13Å; V922-I925 PolarHBondContact O-N 2Å; V922-E926 WeakPolarHBondContact O-CB 3.41Å; V922-E926 PolarHBondContact O-N 2.94Å
923	Q	94.6	Very high	87.9	Confident	94 Å²	94	65.5 Å²	65.5	44%	0.439	33%	0.325	S	S	.	.	H	α-helix	trans	-66.9	-33.5	178.7	-68.2	173.3	-22.5	0	0	113.5	K919 Q920 I921 K927	K919-Q923 WeakPolarHBondContact O-CG 3.35Å; K919-Q923 PolarHBondContact O-N 2.9Å; Q920-Q923 WeakPolarHBondContact O-CB 3.35Å; Q920-Q923 PolarHBondContact O-N 2.8Å; Q920-Q923 VanDerWaalsContact O-N 3.16Å; I921-Q923 VanDerWaalsContact C-N 3.28Å; I921-Q923 PolarHBondContact O-N 3.41Å; Q923-K927 WeakPolarHBondContact O-CG 3.32Å
924	L	94.3	Very high	86.3	Confident	64 Å²	64	61.6 Å²	61.6	34%	0.335	31%	0.305	S	S	.	.	H	α-helix	trans	-69.7	-42.2	176.7	-70.1	172	0	0	0	111.1	I903 Q920 I921 V922	I903-L924 HydrophobicContact CD1-CB 3.78Å; I903-L924 HydrophobicContact CG1-CB 4.09Å; I903-L924 HydrophobicContact CG1-CD1 4.24Å; Q920-L924 WeakPolarHBondContact O-CG 3.26Å; Q920-L924 PolarHBondContact O-N 2.78Å; I921-L924 PolarHBondContact O-N 2.94Å; I921-L924 VanDerWaalsContact O-N 3.11Å; V922-L924 PolarHBondContact O-N 3.13Å
925	I	93.4	Very high	84.5	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-73.9	-35.6	179.1	-59.5	172.2	0	0	0	111.2	Y775 A778 Y856 M900 I903 I921 V922 K927 Q928 I929	Y775-I925 HydrophobicContact CD2-CB 4.46Å; Y775-I925 HydrophobicContact CD2-CG2 4.34Å; A778-I925 HydrophobicContact CB-CD1 4.22Å; Y856-I925 HydrophobicContact CE1-CD1 4.4Å; Y856-I925 WeakPolarHBondContact OH-CD1 3.25Å; M900-I925 HydrophobicContact CE-CG1 4.1Å; M900-I925 HydrophobicContact CE-CG2 4.17Å; M900-I925 HydrophobicContact SD-CG1 4.42Å; I903-I925 HydrophobicContact CD1-CG1 3.77Å; I921-I925 HydrophobicContact CG2-CD1 3.69Å; I921-I925 HydrophobicContact CG2-CG1 4.33Å; I921-I925 WeakPolarHBondContact O-CG1 3.41Å; I921-I925 PolarHBondContact O-N 2.71Å; V922-I925 PolarHBondContact O-N 2Å; I925-K927 PolarHBondContact O-N 3.04Å; I925-K927 VanDerWaalsContact O-N 3.11Å; I925-Q928 WeakPolarHBondContact O-CA 3.43Å; I925-Q928 WeakPolarHBondContact O-CB 3.44Å; I925-Q928 PolarHBondContact O-N 2.71Å; I925-I929 HydrophobicContact CG2-CD1 3.81Å; I925-I929 HydrophobicContact CG2-CG1 4.27Å; I925-I929 PolarHBondContact O-N 3.42Å
926	E	90.1	Very high	82.9	Confident	71 Å²	71	65 Å²	65	33%	0.332	33%	0.325	S	S	.	.	H	α-helix	trans	-52.8	-33.9	175.2	-120.6	156.7	-143.3	0	0	112.7	Y775 V922 Q928	Y775-E926 HydrophobicContact CD2-CG 4.43Å; Y775-E926 HydrophobicContact CE2-CB 4.21Å; Y775-E926 HydrophobicContact CE2-CG 3.47Å; Y775-E926 VanDerWaalsContact CE2-CG 3.47Å; Y775-E926 VanDerWaalsContact CE2-OE1 3.28Å; Y775-E926 WeakPolarHBondContact CE2-OE1 3.4Å; Y775-E926 VanDerWaalsContact CZ-OE1 3.31Å; Y775-E926 PolarHBondContact OH-OE1 2.94Å; V922-E926 WeakPolarHBondContact O-CB 3.41Å; V922-E926 PolarHBondContact O-N 2.94Å; E926-Q928 VanDerWaalsContact C-N 3.27Å; E926-Q928 PolarHBondContact O-N 3.17Å
927	K	88.1	Confident	81.2	Confident	162 Å²	162	65 Å²	65	70%	0.704	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-18	177.4	-65.4	172.1	-175.5	-179.2	0	113.7	Q923 I925	Q923-K927 WeakPolarHBondContact O-CG 3.32Å; I925-K927 PolarHBondContact O-N 3.04Å; I925-K927 VanDerWaalsContact O-N 3.11Å
928	Q	83.5	Confident	79.6	Confident	65 Å²	65	64.1 Å²	64.1	30%	0.304	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-16.2	-178.8	-57.5	-57.8	-44.9	0	0	112.7	L771 E899 I925 E926	L771-Q928 HydrophobicContact CD2-CB 4.14Å; E899-Q928 HydrophobicContact CB-CG 4.36Å; I925-Q928 WeakPolarHBondContact O-CA 3.43Å; I925-Q928 WeakPolarHBondContact O-CB 3.44Å; I925-Q928 PolarHBondContact O-N 2.71Å; E926-Q928 VanDerWaalsContact C-N 3.27Å; E926-Q928 PolarHBondContact O-N 3.17Å
929	I	81.9	Confident	77.6	Confident	13 Å²	13	68.8 Å²	68.8	7%	0.067	35%	0.345	C	S	.	.	S	Bend	trans	-92.2	142.6	-175	-70	175.9	0	0	0	110.3	L771 Y775 I925 T933	L771-I929 HydrophobicContact CB-CG1 3.94Å; Y775-I929 HydrophobicContact CD1-CD1 4.07Å; Y775-I929 HydrophobicContact CD2-CD1 4.15Å; Y775-I929 HydrophobicContact CG-CD1 3.63Å; I925-I929 HydrophobicContact CG2-CD1 3.81Å; I925-I929 HydrophobicContact CG2-CG1 4.27Å; I925-I929 PolarHBondContact O-N 3.42Å; I929-T933 HydrophobicContact CG2-CG2 3.57Å
930	S	70.6	Confident	75.9	Confident	41 Å²	41	64.9 Å²	64.9	29%	0.287	33%	0.331	S	S	.	.			trans	-62.1	147.6	174.4	67.4	0	0	0	0	112	E768 S932 T933 N934	E768-S930 WeakPolarHBondContact OE1-CB 3.33Å; E768-S930 PolarHBondContact OE1-N 3.49Å; E768-S930 VanDerWaalsContact OE1-N 3.09Å; E768-S930 PolarHBondContact OE1-OG 3.47Å; S930-S932 PolarHBondContact O-N 2.7Å; S930-S932 VanDerWaalsContact O-N 3.11Å; S930-S932 PolarHBondContact OG-OG 3.39Å; S930-T933 PolarHBondContact O-N 2.9Å; S930-T933 VanDerWaalsContact O-N 3.09Å; S930-T933 PolarHBondContact OG-N 3.14Å; S930-T933 PolarHBondContact OG-OG1 3.23Å; S930-T933 VanDerWaalsContact OG-OG1 3.1Å; S930-N934 PolarHBondContact O-N 3.19Å
931	E	63	Low	73.9	Confident	157 Å²	157	62.4 Å²	62.4	73%	0.734	33%	0.327	S	S	*	.	H	α-helix	trans	-54.6	-33.8	176.1	-71.8	-176.3	165.1	0	0	112	T933 N934 H935	E931-T933 PolarHBondContact O-N 3.09Å; E931-N934 PolarHBondContact O-N 3.03Å; E931-H935 PolarHBondContact O-CD2 3.03Å; E931-H935 PolarHBondContact O-N 2.87Å
932	S	58.5	Low	71.1	Confident	71 Å²	71	67.7 Å²	67.7	50%	0.497	36%	0.355	S	S	.	.	H	α-helix	trans	-58.3	-46.7	175.8	33.6	0	0	0	0	113.4	S930 H935 I936	S930-S932 PolarHBondContact O-N 2.7Å; S930-S932 VanDerWaalsContact O-N 3.11Å; S930-S932 PolarHBondContact OG-OG 3.39Å; S932-H935 PolarHBondContact O-N 3.21Å; S932-I936 WeakPolarHBondContact O-CG1 3.39Å; S932-I936 PolarHBondContact O-N 3.29Å
933	T	62.4	Low	68.1	Low	21 Å²	21	71.9 Å²	71.9	13%	0.129	38%	0.384	C	S	.	.	H	α-helix	trans	-69.6	-37.4	-178	-59.6	0	0	0	0	111.2	E768 I929 S930 E931 H935 I936 Y937	E768-T933 WeakPolarHBondContact CG-OG1 3.4Å; E768-T933 VanDerWaalsContact OE1-CB 3.23Å; E768-T933 WeakPolarHBondContact OE1-CB 3.44Å; E768-T933 PolarHBondContact OE1-OG1 2.95Å; I929-T933 HydrophobicContact CG2-CG2 3.57Å; S930-T933 PolarHBondContact O-N 2.9Å; S930-T933 VanDerWaalsContact O-N 3.09Å; S930-T933 PolarHBondContact OG-N 3.14Å; S930-T933 PolarHBondContact OG-OG1 3.23Å; S930-T933 VanDerWaalsContact OG-OG1 3.1Å; E931-T933 PolarHBondContact O-N 3.09Å; T933-H935 VanDerWaalsContact C-N 3.33Å; T933-H935 PolarHBondContact O-N 2.82Å; T933-I936 PolarHBondContact O-N 2.83Å; T933-Y937 PolarHBondContact O-N 3.05Å
934	N	59.2	Low	65.1	Low	36 Å²	36	70.5 Å²	70.5	19%	0.193	38%	0.384	C	S	.	.	H	α-helix	trans	-60.3	-41	171.7	-83.6	-33.8	0	0	0	112.1	S930 E931 S938	S930-N934 PolarHBondContact O-N 3.19Å; E931-N934 PolarHBondContact O-N 3.03Å; N934-S938 VanDerWaalsContact O-CB 3.31Å; N934-S938 WeakPolarHBondContact O-CB 3.49Å; N934-S938 PolarHBondContact O-N 2.9Å; N934-S938 PolarHBondContact O-OG 2.9Å
935	H	56.4	Low	62	Low	118 Å²	118	71.6 Å²	71.6	55%	0.546	40%	0.395	S	S	.	.	H	α-helix	trans	-68.3	-42	175.6	-75.7	-58.8	0	0	0	112.9	E931 S932 T933 S938 N939	E931-H935 PolarHBondContact O-CD2 3.03Å; E931-H935 PolarHBondContact O-N 2.87Å; S932-H935 PolarHBondContact O-N 3.21Å; T933-H935 VanDerWaalsContact C-N 3.33Å; T933-H935 PolarHBondContact O-N 2.82Å; H935-S938 PolarHBondContact O-N 2.83Å; H935-N939 WeakPolarHBondContact O-CB 3.45Å; H935-N939 VanDerWaalsContact O-CG 3.22Å; H935-N939 PolarHBondContact O-N 2.77Å; H935-N939 PolarHBondContact O-ND2 2.79Å; H935-N939 VanDerWaalsContact O-ND2 3.16Å
936	I	64.1	Low	59.1	Low	101 Å²	101	79.2 Å²	79.2	52%	0.518	43%	0.431	S	S	.	.	H	α-helix	trans	-60.3	-49.4	177.3	-68.7	165	0	0	0	110.1	S932 T933 S938 N939 L940	S932-I936 WeakPolarHBondContact O-CG1 3.39Å; S932-I936 PolarHBondContact O-N 3.29Å; T933-I936 PolarHBondContact O-N 2.83Å; I936-S938 VanDerWaalsContact C-N 3.34Å; I936-S938 PolarHBondContact O-N 2.86Å; I936-N939 PolarHBondContact O-N 2.98Å; I936-L940 HydrophobicContact CG2-CD1 3.74Å; I936-L940 WeakPolarHBondContact O-CD1 3.15Å; I936-L940 PolarHBondContact O-N 2.88Å
937	Y	63.6	Low	56	Low	15 Å²	15	86.2 Å²	86.2	6%	0.059	45%	0.454	C	S	.	.	H	α-helix	trans	-60.9	-42.6	176.9	-177.5	-86.4	0	0	0	111.8	M652 N653 Y775 Q776 K779 T933 N939 L940 A941	M652-Y937 HydrophobicContact CG-CE2 4.32Å; M652-Y937 HydrophobicContact SD-CE2 3.87Å; N653-Y937 PolarHBondContact OD1-OH 2.9Å; Y775-Y937 HydrophobicContact CE1-CD1 4.12Å; Y775-Y937 HydrophobicContact CE1-CG 4.27Å; Q776-Y937 HydrophobicContact CG-CD2 3.77Å; Q776-Y937 HydrophobicContact CG-CE2 3.64Å; K779-Y937 HydrophobicContact CD-CD1 4.45Å; K779-Y937 HydrophobicContact CD-CE1 3.56Å; K779-Y937 WeakPolarHBondContact CD-OH 3.04Å; K779-Y937 VanDerWaalsContact NZ-CD1 3.31Å; T933-Y937 PolarHBondContact O-N 3.05Å; Y937-N939 VanDerWaalsContact C-N 3.34Å; Y937-N939 PolarHBondContact O-N 3.43Å; Y937-L940 PolarHBondContact O-N 3.02Å; Y937-A941 HydrophobicContact CE1-CB 4.46Å; Y937-A941 WeakPolarHBondContact O-CB 3.35Å; Y937-A941 PolarHBondContact O-N 2.81Å
938	S	62.8	Low	53.1	Low	53 Å²	53	87.2 Å²	87.2	37%	0.371	46%	0.461	S	S	.	.	H	α-helix	trans	-65.3	-36.1	178.5	-60.6	0	0	0	0	112.9	N934 H935 I936 A941 N942	N934-S938 VanDerWaalsContact O-CB 3.31Å; N934-S938 WeakPolarHBondContact O-CB 3.49Å; N934-S938 PolarHBondContact O-N 2.9Å; N934-S938 PolarHBondContact O-OG 2.9Å; H935-S938 PolarHBondContact O-N 2.83Å; I936-S938 VanDerWaalsContact C-N 3.34Å; I936-S938 PolarHBondContact O-N 2.86Å; S938-A941 PolarHBondContact O-N 2.83Å; S938-N942 PolarHBondContact O-N 3.02Å
939	N	56.3	Low	50.4	Low	106 Å²	106	91 Å²	91	57%	0.567	48%	0.483	S	S	*	.	H	α-helix	trans	-69.1	-40.9	175.5	-73.3	-30.6	0	0	0	111.6	H935 I936 Y937 N942 C943	H935-N939 WeakPolarHBondContact O-CB 3.45Å; H935-N939 VanDerWaalsContact O-CG 3.22Å; H935-N939 PolarHBondContact O-N 2.77Å; H935-N939 PolarHBondContact O-ND2 2.79Å; H935-N939 VanDerWaalsContact O-ND2 3.16Å; I936-N939 PolarHBondContact O-N 2.98Å; Y937-N939 VanDerWaalsContact C-N 3.34Å; Y937-N939 PolarHBondContact O-N 3.43Å; N939-N942 PolarHBondContact O-N 2.85Å; N939-C943 PolarHBondContact O-N 2.93Å
940	L	60.2	Low	47.7	Very low	67 Å²	67	97 Å²	97	35%	0.351	52%	0.523	S	S	.	.	H	α-helix	trans	-65.2	-41	173.6	-76.2	154.8	0	0	0	111.3	M652 I806 I936 Y937 N942 C943	M652-L940 WeakPolarHBondContact CE-O 3.3Å; I806-L940 HydrophobicContact CD1-CD1 3.89Å; I936-L940 HydrophobicContact CG2-CD1 3.74Å; I936-L940 WeakPolarHBondContact O-CD1 3.15Å; I936-L940 PolarHBondContact O-N 2.88Å; Y937-L940 PolarHBondContact O-N 3.02Å; L940-N942 PolarHBondContact O-N 3.31Å; L940-C943 WeakPolarHBondContact O-CB 3.3Å; L940-C943 PolarHBondContact O-N 3.39Å
941	A	54.9	Low	45.7	Very low	41 Å²	41	98.8 Å²	98.8	34%	0.339	54%	0.541	S	S	.	.	H	α-helix	trans	-55.9	-36.5	174.5	0	0	0	0	0	112.8	M652 Y937 S938 C943	M652-A941 HydrophobicContact CE-CB 4.29Å; M652-A941 HydrophobicContact SD-CB 4.18Å; Y937-A941 HydrophobicContact CE1-CB 4.46Å; Y937-A941 WeakPolarHBondContact O-CB 3.35Å; Y937-A941 PolarHBondContact O-N 2.81Å; S938-A941 PolarHBondContact O-N 2.83Å; A941-C943 VanDerWaalsContact C-N 3.31Å; A941-C943 PolarHBondContact O-N 3.12Å
942	N	39.7	Very low	44	Very low	111 Å²	111	96.7 Å²	96.7	59%	0.594	54%	0.538	S	S	*	.	H	α-helix	trans	-75.6	-13.6	175.2	-79.3	-23.9	0	0	0	114.3	S938 N939 L940	S938-N942 PolarHBondContact O-N 3.02Å; N939-N942 PolarHBondContact O-N 2.85Å; L940-N942 PolarHBondContact O-N 3.31Å
943	C	33.4	Very low	42.3	Very low	103 Å²	103	99.6 Å²	99.6	70%	0.696	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	8	178.7	-88.1	0	0	0	0	114.6	N939 L940 A941 P945	N939-C943 PolarHBondContact O-N 2.93Å; L940-C943 WeakPolarHBondContact O-CB 3.3Å; L940-C943 PolarHBondContact O-N 3.39Å; A941-C943 VanDerWaalsContact C-N 3.31Å; A941-C943 PolarHBondContact O-N 3.12Å; C943-P945 WeakPolarHBondContact O-CD 3.42Å
944	S	30.7	Very low	40.8	Very low	65 Å²	65	106.3 Å²	106.3	46%	0.455	58%	0.578	S	S	.	*			trans	-64.8	121.1	172	-81.9	0	0	0	0	110.9	H946	S944-H946 PolarHBondContact O-N 2.9Å
945	P	28.6	Very low	39.2	Very low	87 Å²	87	108.4 Å²	108.4	57%	0.565	60%	0.596	S	S	*	*	S	Bend	trans	-82.4	60	-174.4	34.7	-34.7	0	0	0	110.8	C943	C943-P945 WeakPolarHBondContact O-CD 3.42Å
946	H	33.4	Very low	38.1	Very low	160 Å²	160	108 Å²	108	74%	0.741	60%	0.601	S	S	*	*			trans	-164.4	75.2	161.4	-82.7	-54.7	0	0	0	109.1	S944	S944-H946 PolarHBondContact O-N 2.9Å
947	R	25.5	Very low	36.3	Very low	217 Å²	217	113.2 Å²	113.2	82%	0.819	61%	0.614	S	S	*	*			trans	-119.4	71.2	162.7	-109.7	-171.3	178.5	176	2.2	108.7
948	E	27.1	Very low	34.8	Very low	183 Å²	183	119.7 Å²	119.7	86%	0.855	65%	0.648	S	S	*	*			trans	-140	135.7	160.2	-75.8	-169.5	162.4	0	0	109.5
949	N	26.1	Very low	33.2	Very low	144 Å²	144	122.6 Å²	122.6	77%	0.77	66%	0.66	S	S	*	*			trans	81	103.2	-179.3	-61.2	-20.8	0	0	0	117.7	A951	N949-A951 PolarHBondContact O-N 3.1Å
950	P	25	Very low	31.8	Very low	139 Å²	139	122.8 Å²	122.8	90%	0.903	67%	0.669	S	S	*	*			trans	-75	105.5	159.9	30.9	-25.1	0	0	0	107.4
951	A	27.7	Very low	30.5	Very low	79 Å²	79	126 Å²	126	65%	0.653	69%	0.691	S	S	*	*			trans	-138.1	108.1	-178.8	0	0	0	0	0	112	N949	N949-A951 PolarHBondContact O-N 3.1Å
952	V	27.3	Very low	29.2	Very low	114 Å²	114	127 Å²	127	69%	0.691	71%	0.706	S	S	*	*			trans	72.2	103.5	153.6	-161.6	0	0	0	0	117.3	H954	V952-H954 PolarHBondContact O-N 2.69Å; V952-H954 VanDerWaalsContact O-N 3.09Å
953	D	24.1	Very low	28.7	Very low	132 Å²	132	127.2 Å²	127.2	71%	0.706	72%	0.716	S	S	*	*			trans	-46.6	104.1	155.3	-168.4	32.5	0	0	0	110.2	S955	D953-S955 PolarHBondContact O-N 3.49Å; D953-S955 VanDerWaalsContact O-N 3.1Å; D953-S955 PolarHBondContact OD2-OG 3.28Å
954	H	30.2	Very low	28.5	Very low	161 Å²	161	127.7 Å²	127.7	75%	0.745	72%	0.72	S	S	*	*			trans	-84.1	60.8	166.9	-78.1	-56.1	0	0	0	109.5	V952 V956	V952-H954 PolarHBondContact O-N 2.69Å; V952-H954 VanDerWaalsContact O-N 3.09Å; H954-V956 PolarHBondContact O-N 3.12Å; H954-V956 VanDerWaalsContact O-N 3.14Å
955	S	25.7	Very low	28.6	Very low	81 Å²	81	128.9 Å²	128.9	57%	0.566	73%	0.734	S	S	*	*			trans	-77	70.9	151.7	51.7	0	0	0	0	107.9	D953 R957	D953-S955 PolarHBondContact O-N 3.49Å; D953-S955 VanDerWaalsContact O-N 3.1Å; D953-S955 PolarHBondContact OD2-OG 3.28Å; S955-R957 PolarHBondContact O-N 3.38Å
956	V	33.6	Very low	28.5	Very low	108 Å²	108	130.2 Å²	130.2	66%	0.655	75%	0.746	S	S	*	*			trans	-76.4	88.5	169.4	-178.2	0	0	0	0	107.8	H954 I958	H954-V956 PolarHBondContact O-N 3.12Å; H954-V956 VanDerWaalsContact O-N 3.14Å; V956-I958 HydrophobicContact CG1-CG1 4.48Å; V956-I958 PolarHBondContact O-N 3.33Å; V956-I958 VanDerWaalsContact O-N 3.07Å
957	R	27.3	Very low	28.3	Very low	211 Å²	211	128.1 Å²	128.1	80%	0.796	75%	0.749	S	S	*	*			trans	-49.9	100.4	160.6	-175.6	-172.4	-109.5	169.3	-4.6	109.4	S955 N959	S955-R957 PolarHBondContact O-N 3.38Å; R957-N959 VanDerWaalsContact C-N 3.32Å; R957-N959 HydrophobicContact CG-CB 4.11Å; R957-N959 PolarHBondContact O-N 3.21Å
958	I	31.6	Very low	28.5	Very low	151 Å²	151	123.8 Å²	123.8	77%	0.774	75%	0.747	S	S	*	*			trans	-86.5	83.6	158.5	-56.2	-180	0	0	0	106.6	V956	V956-I958 HydrophobicContact CG1-CG1 4.48Å; V956-I958 PolarHBondContact O-N 3.33Å; V956-I958 VanDerWaalsContact O-N 3.07Å
959	N	28	Very low	28.6	Very low	115 Å²	115	123.5 Å²	123.5	62%	0.615	75%	0.745	S	S	*	*			trans	-98.3	145.1	160	-94.8	-10.5	0	0	0	108.4	R957	R957-N959 VanDerWaalsContact C-N 3.32Å; R957-N959 HydrophobicContact CG-CB 4.11Å; R957-N959 PolarHBondContact O-N 3.21Å
960	S	28.7	Very low	28.6	Very low	110 Å²	110	122.6 Å²	122.6	77%	0.769	75%	0.747	S	S	*	*			trans	70	121.4	168.3	61.3	0	0	0	0	113.8
961	V	32	Very low	28.9	Very low	134 Å²	134	123.1 Å²	123.1	81%	0.812	74%	0.742	S	S	*	*				-161.7	126.6	51.4	172.1	0	0	0	0	104.9
962	G	27.6	Very low	29.1	Very low	62 Å²	62	125.4 Å²	125.4	64%	0.639	74%	0.742	S	S	*	*				87.2	125.7	77.1	0	0	0	0	0	111.4
963	S	30.1	Very low	29.2	Very low	115 Å²	115	126.5 Å²	126.5	80%	0.804	75%	0.749	S	S	*	*			trans	98.1	94.8	168.2	-44.9	0	0	0	0	114.6
964	S	28.5	Very low	29.7	Very low	114 Å²	114	128.2 Å²	128.2	80%	0.797	75%	0.752	S	S	*	*				79.6	106.9	81.7	69.8	0	0	0	0	114.1
965	A	31.8	Very low	29.7	Very low	90 Å²	90	128.5 Å²	128.5	74%	0.744	75%	0.754	S	S	*	*			trans	154.4	97.6	150.6	0	0	0	0	0	108.2
966	S	28	Very low	30.1	Very low	115 Å²	115	132.2 Å²	132.2	80%	0.804	77%	0.768	S	S	*	*				61.3	106.9	104	74.4	0	0	0	0	114.7
967	S	29.1	Very low	30	Very low	115 Å²	115	137.6 Å²	137.6	80%	0.804	80%	0.8	S	S	*	*				169.9	108.5	120.6	-172.5	0	0	0	0	110.1
968	T	29.8	Very low	30.2	Very low	126 Å²	126	133.9 Å²	133.9	77%	0.773	80%	0.8	S	S	*	*			trans	-45.1	132.3	151.7	44.1	0	0	0	0	112.6
969	Q	27.9	Very low	30.1	Very low	177 Å²	177	133 Å²	133	83%	0.827	80%	0.801	S	S	*	*				168.3	141.3	125.8	-97.6	179.2	-23.8	0	0	112.4
970	P	27.6	Very low	30.2	Very low	125 Å²	125	134 Å²	134	81%	0.812	81%	0.812	S	S	*	*			trans	-87.1	144	175.3	35.7	-30.1	0	0	0	111.3
971	L	30.1	Very low	30.3	Very low	151 Å²	151	135.4 Å²	135.4	79%	0.791	81%	0.814	S	S	*	*			trans	-137.7	123.5	176.3	-83.5	161.2	0	0	0	106
972	L	32.3	Very low	30.2	Very low	127 Å²	127	135.5 Å²	135.5	67%	0.665	82%	0.815	S	S	*	*			cis	-153.9	119.7	22.3	-90.8	143.8	0	0	0	109.5	H974	L972-H974 WeakPolarHBondContact CD2-CD2 3.33Å
973	V	29.6	Very low	30.4	Very low	137 Å²	137	140.4 Å²	140.4	83%	0.83	83%	0.826	S	S	*	*			trans	-98.4	123.7	141.4	174.1	0	0	0	0	104.6
974	H	33.4	Very low	30.4	Very low	167 Å²	167	142.2 Å²	142.2	77%	0.773	83%	0.828	S	S	*	*			trans	-128.9	93.1	160.6	-102.8	-50.1	0	0	0	107	L972	L972-H974 WeakPolarHBondContact CD2-CD2 3.33Å
975	E	31	Very low	30.5	Very low	168 Å²	168	144.4 Å²	144.4	79%	0.785	83%	0.83	S	S	*	*			trans	-101.1	127.5	140	-89.6	-176.5	148.9	0	0	106.5
976	D	33.8	Very low	30.4	Very low	159 Å²	159	148.9 Å²	148.9	85%	0.85	84%	0.837	S	S	*	*			trans	159.4	78.5	142.7	-83.3	-15	0	0	0	109.7
977	V	32.9	Very low	30.7	Very low	220 Å²	220	152 Å²	152	100%	1.333	84%	0.84	S	S	*	*				-159.3	0	125.4	173.9	0	0	0	0	108

Retrieved 977 of 977 residues in 223 ms (Link to these results)

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