A0A087XGB4_POEFO Loading...

E1 ubiquitin-activating enzyme

AlphaFold DB , UniProt , Accession A0A087XGB4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,057 aa.

						>A0A087XGB4_POEFO|A0A087XGB4
MSSSPLSKKRRLSGTETKTESHCSSSNSVRTDLSHTPANGMAKNGNDAEIDEGLYSRQLYVLGHEAMKRMQNSNVLISGMRGLGVEIAKNVILGGVRSVTVHDQGDAEWRDLSSQFYLREEDLGKNRAEVSQPRLAELNNYVPVTAYTGALTEDYLTKFQVVVLTNSNLDEQKHLGDLCHSKGVKLVVADTRGLFGQLFCDFGEEMIVYDTNGEQPLSAMISMITKDNPGVVTCLDEARHGFESGDYVTFTEIQGMTDLNGCQPVEIKVLGPYTFSICDTTGFSDYVRGGIVSQVKMPKKISFKSLSSSMAEPDFMMTDFAKFDRPGQLHIGFQAIHAFKQKHNRLPTPWSQADGEELLTLAKELNSAQTGSAKVEQLDEALIKKMSYLAAGDLSPINAFIGGVAAQEVMKASTGKFMPVMQWLYFDALECLSEGEEVMLTEEECSPRNCRYDGQIAVFGSKLQKILADQRYFLVGAGAIGCELLKNFAMIGLASEEGEVIVTDMDTIEKSNLNRQFLFRPSDVTKMKSDTAAAAVKQMNPSFKITAHQNRVGPETERVYDDDFFESLNGVANALDNVDARMYMDRRCVYYRKPLLESGTLGTKGNIQVVIPFVTESYSSSQDPPEKSIPICTLKNFPNAIEHTLQWARDEFEGLFKQAPENAMQYLTDSKFMERTLKLPGAQPVEVLDAVYKSVVTDCPHSWADCVAWARNHWQCQYSNNIRQLLHNFPPDQLTSSGAPFWSGPKRCPHPLDFSTSNDLHVDYVLAAANLFAQTYGLPGSTDRAGVVKILQDVKVPTFTPRSGVKIHVSDQELQNSNSSVDDSKLEELKSQLPTPESFRFKLSPIDFEKDDDANFHMDFIVAASNLRAENYDIPPADRHKSKLIAGKIIPAIATTTAAVVGLVCLELFKIIQGHKKLDSFKNGFMNLALPFFAFSEPIAAPRHKYYEIDWTLWDRFEVKGLQSNGEEMTLRQFLDYFKNEHKLEITMLSQGVSMLYSFFMPAAKLKERLDLPMTEIVTKVSKKKLGKHVKALVFELCCNDLSDEDVEVPYVRYTIR
					

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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	27.8	Very low	24.7	Very low	228 Å²	228	169.6 Å²	169.6	100%	1.123	87%	0.868	S	S	*	*				0	106.2	0	-73.7	-162.3	-149.1	0	0	109.8	V993	M1-V993 HydrophobicContact CE-CG1 4.15Å
2	S	21.1	Very low	24.7	Very low	120 Å²	120	170.3 Å²	170.3	84%	0.839	87%	0.873	S	S	*	*			trans	-165.5	102.1	157.7	173.4	0	0	0	0	104.6
3	S	22.6	Very low	24.9	Very low	118 Å²	118	165.6 Å²	165.6	83%	0.825	87%	0.865	S	S	*	*			trans	-101.1	115.3	-175	43.7	0	0	0	0	110
4	S	23.4	Very low	24.8	Very low	103 Å²	103	159.1 Å²	159.1	72%	0.72	86%	0.858	S	S	*	*			trans	-80.9	135.5	171.7	-60.5	0	0	0	0	110.9
5	P	26.1	Very low	24.8	Very low	102 Å²	102	157.7 Å²	157.7	66%	0.662	86%	0.857	S	S	*	*			trans	-97.3	134	-179.8	33.9	-29.6	0	0	0	114.7
6	L	27.9	Very low	25	Very low	169 Å²	169	159.5 Å²	159.5	89%	0.885	86%	0.858	S	S	*	*			trans	63.2	111.3	134.7	-57.6	169.7	0	0	0	121.2
7	S	23.7	Very low	25.1	Very low	119 Å²	119	158.5 Å²	158.5	83%	0.832	86%	0.859	S	S	*	*			trans	-106.3	123.1	148.4	61.2	0	0	0	0	111.1
8	K	25.7	Very low	25.2	Very low	209 Å²	209	160.7 Å²	160.7	91%	0.909	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-71.6	130.8	178	-81.3	173.7	176.1	169.7	0	111.8
9	K	26.1	Very low	25.3	Very low	206 Å²	206	159.9 Å²	159.9	90%	0.896	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-58.8	132.6	169.7	-77	179.8	172.8	-178.6	0	112.1
10	R	24.2	Very low	25.2	Very low	251 Å²	251	161.6 Å²	161.6	95%	0.947	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-66.1	125.8	162.9	-108.7	175	173.5	175.7	-2.6	109.2
11	R	23.6	Very low	25.2	Very low	241 Å²	241	159.7 Å²	159.7	91%	0.909	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-78.5	122.9	165	-90.1	179	170.2	178.8	-4	108.6
12	L	24.6	Very low	25.1	Very low	177 Å²	177	157.7 Å²	157.7	93%	0.927	85%	0.85	S	S	*	*			trans	-88.4	110.2	157.1	-77	163.2	0	0	0	107
13	S	26.5	Very low	25.2	Very low	110 Å²	110	157.5 Å²	157.5	77%	0.769	85%	0.847	S	S	*	*			trans	-90.7	118	167.2	51.8	0	0	0	0	108.5
14	G	23.5	Very low	25.3	Very low	74 Å²	74	156.7 Å²	156.7	76%	0.763	84%	0.842	S	S	*	*			trans	-81.6	140.4	162.2	0	0	0	0	0	110.3
15	T	25.9	Very low	25.4	Very low	138 Å²	138	156.9 Å²	156.9	85%	0.847	84%	0.843	S	S	*	*			trans	-141.9	128.4	154.5	26.2	0	0	0	0	108.8
16	E	27.2	Very low	25.4	Very low	187 Å²	187	157.2 Å²	157.2	87%	0.874	85%	0.848	S	S	*	*			trans	-56.9	149.5	172.6	-61	171.9	134	0	0	111.9
17	T	27	Very low	25.2	Very low	142 Å²	142	156.1 Å²	156.1	87%	0.871	84%	0.843	S	S	*	*			trans	-159.7	125.9	138.7	11.7	0	0	0	0	109.9
18	K	26.8	Very low	25.3	Very low	199 Å²	199	155.3 Å²	155.3	87%	0.865	84%	0.837	S	S	*	*			trans	-64.7	145.8	168.4	-71.9	174.8	171.6	177.9	0	110.4
19	T	26.7	Very low	25.3	Very low	146 Å²	146	151.6 Å²	151.6	90%	0.896	83%	0.832	S	S	*	*			trans	-161.5	132.2	135.9	14.3	0	0	0	0	110
20	E	23.2	Very low	25.3	Very low	192 Å²	192	152.7 Å²	152.7	90%	0.897	83%	0.83	S	S	*	*			trans	-68.7	147.4	174.4	-63	166	150.5	0	0	111.1
21	S	25.6	Very low	25.4	Very low	122 Å²	122	146.8 Å²	146.8	85%	0.853	82%	0.822	S	S	*	*			trans	-169.7	138	131.4	54.9	0	0	0	0	112.4
22	H	25.4	Very low	25.5	Very low	186 Å²	186	142.1 Å²	142.1	86%	0.861	82%	0.816	S	S	*	*			trans	-69.5	144.7	175.6	-77.4	-85.4	0	0	0	113.4
23	C	22.8	Very low	25.5	Very low	116 Å²	116	141.5 Å²	141.5	78%	0.784	81%	0.812	S	S	*	*				164.8	127.8	112.7	-91.1	0	0	0	0	114.8
24	S	24.8	Very low	25.3	Very low	101 Å²	101	141.2 Å²	141.2	71%	0.706	81%	0.81	S	S	*	*			trans	43.7	119.5	138.4	64.2	0	0	0	0	123.4
25	S	26.2	Very low	25.3	Very low	107 Å²	107	146.5 Å²	146.5	75%	0.748	81%	0.814	S	S	*	*			trans	7.6	126.8	133.7	58.1	0	0	0	0	120.6
26	S	25.8	Very low	25.2	Very low	109 Å²	109	145.7 Å²	145.7	76%	0.762	81%	0.81	S	S	*	*				165.6	146.5	107.3	51.8	0	0	0	0	113.7
27	N	25	Very low	25	Very low	146 Å²	146	142.2 Å²	142.2	78%	0.781	80%	0.803	S	S	*	*			trans	68.4	102.7	150.8	-66.1	-8.4	0	0	0	122.3
28	S	25.5	Very low	24.9	Very low	103 Å²	103	140.4 Å²	140.4	72%	0.72	80%	0.802	S	S	*	*				35.3	120.8	121.4	66	0	0	0	0	119.8
29	V	25.1	Very low	24.9	Very low	130 Å²	130	138.3 Å²	138.3	79%	0.788	80%	0.801	S	S	*	*				-154.4	123.9	118.9	173.2	0	0	0	0	108	T31	V29-T31 HydrophobicContact CG1-CG2 4.43Å
30	R	25.2	Very low	24.9	Very low	229 Å²	229	135.3 Å²	135.3	86%	0.864	80%	0.799	S	S	*	*			trans	-73.3	129.9	165.5	-84.2	178.3	169.9	172.4	-4.9	108.9
31	T	27	Very low	25	Very low	128 Å²	128	134.8 Å²	134.8	79%	0.785	80%	0.799	S	S	*	*			trans	-130.9	103.2	157.8	38.6	0	0	0	0	108	V29	V29-T31 HydrophobicContact CG1-CG2 4.43Å
32	D	25.5	Very low	25.1	Very low	143 Å²	143	133.6 Å²	133.6	77%	0.765	80%	0.796	S	S	*	*			trans	-66.3	121.3	170.5	-72.8	-44.4	0	0	0	110
33	L	24.1	Very low	25.1	Very low	164 Å²	164	134.8 Å²	134.8	86%	0.859	80%	0.799	S	S	*	*			trans	-140.2	86.6	157.6	-79.8	173.6	0	0	0	108
34	S	22.4	Very low	25.3	Very low	103 Å²	103	137.4 Å²	137.4	72%	0.72	81%	0.805	S	S	*	*			trans	-82.3	107.3	169.5	56.4	0	0	0	0	109.9
35	H	23.5	Very low	25.4	Very low	185 Å²	185	135.9 Å²	135.9	86%	0.856	81%	0.805	S	S	*	*			trans	-119.6	89.8	157.7	-90.2	-52.5	0	0	0	108.6
36	T	23.8	Very low	25.8	Very low	122 Å²	122	139.2 Å²	139.2	75%	0.748	81%	0.814	S	S	*	*			trans	-86.3	128.4	165.2	-35.8	0	0	0	0	107.6	A38	T36-A38 PolarHBondContact O-N 2.81Å
37	P	24.9	Very low	26.4	Very low	114 Å²	114	141.4 Å²	141.4	74%	0.74	82%	0.818	S	S	*	*			trans	-67.9	131.8	169.6	-3.5	17.6	0	0	0	109	N39	P37-N39 PolarHBondContact O-N 3.12Å
38	A	23.6	Very low	27.9	Very low	103 Å²	103	138.1 Å²	138.1	85%	0.851	81%	0.81	S	S	*	*			trans	-69.3	98.3	-178.9	0	0	0	0	0	111	T36	T36-A38 PolarHBondContact O-N 2.81Å
39	N	26.4	Very low	30.6	Very low	155 Å²	155	142.3 Å²	142.3	83%	0.829	82%	0.819	S	S	*	*			trans	-77.3	116.8	152.8	-85.5	-5.7	0	0	0	107.4	P37 M41	P37-N39 PolarHBondContact O-N 3.12Å; N39-M41 PolarHBondContact O-N 3.18Å; N39-M41 VanDerWaalsContact O-N 3.09Å
40	G	26.7	Very low	33.7	Very low	83 Å²	83	137 Å²	137	86%	0.856	79%	0.786	S	S	*	*			trans	-64	107.9	175.3	0	0	0	0	0	110.6
41	M	26.1	Very low	36.9	Very low	182 Å²	182	127.4 Å²	127.4	90%	0.897	75%	0.751	S	S	*	*			trans	-119.6	143.1	158.1	-79.7	-170.3	94.8	0	0	110	N39	N39-M41 PolarHBondContact O-N 3.18Å; N39-M41 VanDerWaalsContact O-N 3.09Å
42	A	27.6	Very low	40	Very low	96 Å²	96	125 Å²	125	79%	0.793	73%	0.732	S	S	*	*			trans	73.6	102.3	162.5	0	0	0	0	0	117.9
43	K	24.9	Very low	43	Very low	211 Å²	211	119.5 Å²	119.5	92%	0.917	71%	0.708	S	S	*	*			trans	-107.2	126.6	137.8	-84.5	-174.4	176.2	177.5	0	108.8
44	N	28.3	Very low	46.4	Very low	172 Å²	172	112.6 Å²	112.6	92%	0.92	67%	0.672	S	S	*	*			trans	-56.4	130	169	-77.4	-26.6	0	0	0	111.1
45	G	25.7	Very low	49.9	Very low	68 Å²	68	107.8 Å²	107.8	70%	0.701	64%	0.638	S	S	*	*			trans	167.2	86.2	170.4	0	0	0	0	0	114.5	D47	G45-D47 PolarHBondContact O-N 2.95Å
46	N	34.6	Very low	53.2	Low	177 Å²	177	99.1 Å²	99.1	95%	0.947	60%	0.599	S	S	*	*	S	Bend	trans	48.7	8.4	144.8	-98.9	15.5	0	0	0	124.9
47	D	39.4	Very low	56.5	Low	156 Å²	156	94.3 Å²	94.3	83%	0.834	57%	0.567	S	S	*	*			trans	-131.1	124.2	161.4	-84.8	-40.2	0	0	0	109.2	G45 E49	G45-D47 PolarHBondContact O-N 2.95Å; D47-E49 PolarHBondContact O-N 2.84Å
48	A	54.7	Low	59.9	Low	76 Å²	76	89 Å²	89	63%	0.628	53%	0.532	S	S	*	.			trans	-70.1	104	176.1	0	0	0	0	0	108.8	I50	A48-I50 PolarHBondContact O-N 2.84Å
49	E	82.7	Confident	63.4	Low	192 Å²	192	84.3 Å²	84.3	90%	0.897	49%	0.493	S	S	*	.			trans	-65.5	128.2	177.8	-158.9	172.4	-166.1	0	0	109.7	D47 D51	D47-E49 PolarHBondContact O-N 2.84Å; E49-D51 PolarHBondContact O-N 2.85Å
50	I	91.1	Very high	66.6	Low	19 Å²	19	78 Å²	78	10%	0.097	46%	0.458	C	S	.	.			trans	-73.5	127.8	-178.9	-63.1	162.4	0	0	0	109.1	A48 E52 Y55 L59 H64 M67 K68	A48-I50 PolarHBondContact O-N 2.84Å; I50-E52 PolarHBondContact O-N 2.86Å; I50-Y55 HydrophobicContact CG2-CD2 4.06Å; I50-L59 HydrophobicContact CG2-CD1 4.13Å; I50-L59 HydrophobicContact CG2-CD2 4.2Å; I50-H64 HydrophobicContact CD1-CB 4.19Å; I50-M67 HydrophobicContact CD1-CB 3.76Å; I50-M67 HydrophobicContact CD1-CG 3.85Å; I50-M67 HydrophobicContact CG1-CG 4.1Å; I50-M67 HydrophobicContact CG2-CG 4.1Å; I50-K68 HydrophobicContact CD1-CG 3.97Å
51	D	92.9	Very high	70	Confident	26 Å²	26	74.7 Å²	74.7	14%	0.139	42%	0.421	C	S	.	.			trans	-72.2	89	174.2	-173.4	-16.3	0	0	0	111	E49 G53 L54 Y55 Y141 K510	E49-D51 PolarHBondContact O-N 2.85Å; D51-G53 PolarHBondContact O-N 3.29Å; D51-G53 WeakPolarHBondContact OD1-CA 3.33Å; D51-G53 PolarHBondContact OD1-N 2.92Å; D51-G53 VanDerWaalsContact OD1-N 3.08Å; D51-L54 HydrophobicContact CB-CB 4.31Å; D51-L54 PolarHBondContact O-N 3.39Å; D51-L54 VanDerWaalsContact O-N 3.12Å; D51-L54 PolarHBondContact OD1-N 2.99Å; D51-Y55 HydrophobicContact CB-CD2 4.41Å; D51-Y55 WeakPolarHBondContact O-CD2 3.38Å; D51-Y55 PolarHBondContact O-N 2.82Å; D51-Y141 HydrophobicContact CB-CE2 3.95Å; D51-Y141 PolarHBondContact OD2-OH 3.07Å; D51-K510 IonicContact OD1-NZ 3.39Å; D51-K510 PolarHBondContact OD1-NZ 2.66Å; D51-K510 WeakPolarHBondContact OD2-CE 3.28Å; D51-K510 IonicContact OD2-NZ 3.65Å; D51-K510 PolarHBondContact OD2-NZ 2.72Å
52	E	90.3	Very high	73.2	Confident	79 Å²	79	66.2 Å²	66.2	37%	0.369	38%	0.379	S	S	.	.	H	α-helix	trans	-59.9	-25.9	178.3	-60.3	-163.9	168.4	0	0	112.7	I50 L54 S56 L59 H64 H880	I50-E52 PolarHBondContact O-N 2.86Å; E52-L54 PolarHBondContact O-N 3.12Å; E52-S56 WeakPolarHBondContact O-CA 3.39Å; E52-S56 WeakPolarHBondContact O-CB 3.38Å; E52-S56 PolarHBondContact O-N 3.47Å; E52-L59 HydrophobicContact CB-CD1 4.25Å; E52-L59 HydrophobicContact CG-CD1 3.9Å; E52-H64 IonicContact OE1-CD2 2.78Å; E52-H64 IonicContact OE1-CE1 2.71Å; E52-H64 IonicContact OE1-NE2 3.43Å; E52-H64 PolarHBondContact OE1-NE2 3.02Å; E52-H880 IonicContact OE1-CD2 2.73Å; E52-H880 IonicContact OE2-CD2 3.39Å
53	G	89.6	Confident	76.4	Confident	27 Å²	27	62.9 Å²	62.9	28%	0.278	35%	0.354	S	S	.	.	H	α-helix	trans	-68.6	-32.2	176.9	0	0	0	0	0	113.3	D51 S511	D51-G53 PolarHBondContact O-N 3.29Å; D51-G53 WeakPolarHBondContact OD1-CA 3.33Å; D51-G53 PolarHBondContact OD1-N 2.92Å; D51-G53 VanDerWaalsContact OD1-N 3.08Å; G53-S511 WeakPolarHBondContact O-CA 3.33Å; G53-S511 PolarHBondContact O-N 3.25Å
54	L	94.3	Very high	79.7	Confident	18 Å²	18	55.6 Å²	55.6	9%	0.094	32%	0.323	C	S	.	.	H	α-helix	trans	-85.6	-49.3	174	178.2	61.9	0	0	0	111.6	D51 E52 Y141 L513 N514	D51-L54 HydrophobicContact CB-CB 4.31Å; D51-L54 PolarHBondContact O-N 3.39Å; D51-L54 VanDerWaalsContact O-N 3.12Å; D51-L54 PolarHBondContact OD1-N 2.99Å; E52-L54 PolarHBondContact O-N 3.12Å; L54-Y141 HydrophobicContact CD2-CD2 3.75Å; L54-Y141 HydrophobicContact CD2-CE2 3.76Å; L54-L513 HydrophobicContact CD1-CB 3.84Å; L54-N514 HydrophobicContact CD1-CB 4.25Å; L54-N514 WeakPolarHBondContact O-CB 3.4Å
55	Y	96.2	Very high	82.8	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.008	30%	0.304	C	S	.	.	H	α-helix	trans	-90.9	4.5	-171	-62.9	-72.1	0	0	0	114.4	I50 D51 R57 Q58 L59 M67 G95 N139 Y141 N514	I50-Y55 HydrophobicContact CG2-CD2 4.06Å; D51-Y55 HydrophobicContact CB-CD2 4.41Å; D51-Y55 WeakPolarHBondContact O-CD2 3.38Å; D51-Y55 PolarHBondContact O-N 2.82Å; Y55-R57 VanDerWaalsContact C-N 3.32Å; Y55-R57 PolarHBondContact O-N 3.18Å; Y55-R57 VanDerWaalsContact O-N 3.07Å; Y55-Q58 CarbonylContact O-C 3.58Å; Y55-Q58 PolarHBondContact O-N 3.34Å; Y55-L59 PolarHBondContact O-N 2.93Å; Y55-M67 HydrophobicContact CD1-CE 3.56Å; Y55-M67 HydrophobicContact CD1-SD 4.5Å; Y55-M67 HydrophobicContact CD2-CE 3.86Å; Y55-M67 HydrophobicContact CE1-CE 3.38Å; Y55-M67 HydrophobicContact CE2-CE 3.69Å; Y55-M67 HydrophobicContact CG-CE 3.79Å; Y55-M67 VanDerWaalsContact CZ-CE 3.44Å; Y55-G95 WeakPolarHBondContact OH-CA 3.23Å; Y55-N139 PolarHBondContact OH-ND2 3.39Å; Y55-Y141 HydrophobicContact CE2-CD2 4.34Å; Y55-N514 WeakPolarHBondContact CD1-ND2 3.19Å
56	S	92.5	Very high	86.2	Confident	4 Å²	4	49.7 Å²	49.7	3%	0.028	27%	0.272	C	S	.	.	H	α-helix	trans	-37.8	-55.8	-175.6	172.9	0	0	0	0	113.8	E52 Q58 L59 Y60	E52-S56 WeakPolarHBondContact O-CA 3.39Å; E52-S56 WeakPolarHBondContact O-CB 3.38Å; E52-S56 PolarHBondContact O-N 3.47Å; S56-Q58 PolarHBondContact O-N 3.44Å; S56-L59 PolarHBondContact O-N 3.02Å; S56-Y60 WeakPolarHBondContact O-CD2 3.49Å; S56-Y60 VanDerWaalsContact O-CE2 3.28Å; S56-Y60 WeakPolarHBondContact O-CE2 3.45Å
57	R	94.1	Very high	89.1	Confident	21 Å²	21	41.3 Å²	41.3	8%	0.079	23%	0.227	C	C	.	.	H	α-helix	trans	-74	-30.4	-173.8	-50.1	-52.3	172.3	125.2	-1.2	113.3	Y55 R515 K850 D851 I889 A892	Y55-R57 VanDerWaalsContact C-N 3.32Å; Y55-R57 PolarHBondContact O-N 3.18Å; Y55-R57 VanDerWaalsContact O-N 3.07Å; R57-R515 VanDerWaalsContact CG-NH1 3.3Å; R57-K850 VanDerWaalsContact NH2-CE 3.32Å; R57-D851 IonicContact NH2-OD1 3.32Å; R57-D851 IonicContact NH2-OD2 2.76Å; R57-D851 PolarHBondContact NH2-OD2 3.38Å; R57-I889 VanDerWaalsContact NH1-CG1 3.34Å; R57-A892 CarbonylContact C-O 3.52Å; R57-A892 HydrophobicContact CB-CB 4.43Å; R57-A892 PolarHBondContact O-N 3.4Å
58	Q	96.8	Very high	91.8	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.009	21%	0.207	C	C	.	.	H	α-helix	trans	-76.1	-33.6	176.6	-178	176.5	-69.1	0	0	111.8	Y55 S56 Y60 V61 L62 M67 G94 N514 A892 I893	Y55-Q58 CarbonylContact O-C 3.58Å; Y55-Q58 PolarHBondContact O-N 3.34Å; S56-Q58 PolarHBondContact O-N 3.44Å; Q58-Y60 VanDerWaalsContact C-N 3.26Å; Q58-Y60 PolarHBondContact O-N 3.02Å; Q58-V61 WeakPolarHBondContact O-CA 3.45Å; Q58-V61 WeakPolarHBondContact O-CB 3.31Å; Q58-V61 PolarHBondContact O-N 3.23Å; Q58-L62 HydrophobicContact CG-CD1 3.75Å; Q58-L62 HydrophobicContact CG-CG 4.21Å; Q58-L62 PolarHBondContact O-N 2.84Å; Q58-M67 PolarHBondContact NE2-SD 3.46Å; Q58-M67 VanDerWaalsContact NE2-SD 3.44Å; Q58-G94 PolarHBondContact NE2-O 3.22Å; Q58-N514 PolarHBondContact OE1-ND2 2.77Å; Q58-A892 PolarHBondContact N-O 3.01Å; Q58-I893 HydrophobicContact CG-CD1 3.94Å; Q58-I893 HydrophobicContact CG-CG1 4.13Å
59	L	96.1	Very high	93.8	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.026	19%	0.19	C	C	.	.	H	α-helix	trans	-61.6	-34.8	176.8	-77.8	171.8	0	0	0	112.1	I50 E52 Y55 S56 V61 G63 M67	I50-L59 HydrophobicContact CG2-CD1 4.13Å; I50-L59 HydrophobicContact CG2-CD2 4.2Å; E52-L59 HydrophobicContact CB-CD1 4.25Å; E52-L59 HydrophobicContact CG-CD1 3.9Å; Y55-L59 PolarHBondContact O-N 2.93Å; S56-L59 PolarHBondContact O-N 3.02Å; L59-V61 PolarHBondContact O-N 2.78Å; L59-G63 VanDerWaalsContact O-CA 3.25Å; L59-G63 WeakPolarHBondContact O-CA 3.21Å; L59-G63 PolarHBondContact O-N 3.23Å; L59-M67 HydrophobicContact CD2-CB 4.11Å; L59-M67 HydrophobicContact CD2-CG 4.34Å
60	Y	94.8	Very high	94.4	Very high	23 Å²	23	29 Å²	29	9%	0.09	15%	0.147	C	C	.	.	H	α-helix	trans	-70.6	-10.5	173.2	-57.9	-56.3	0	0	0	114.3	S56 Q58 H880 L884 I889	S56-Y60 WeakPolarHBondContact O-CD2 3.49Å; S56-Y60 VanDerWaalsContact O-CE2 3.28Å; S56-Y60 WeakPolarHBondContact O-CE2 3.45Å; Q58-Y60 VanDerWaalsContact C-N 3.26Å; Q58-Y60 PolarHBondContact O-N 3.02Å; Y60-H880 AromaticContact CD1-CE1 3.41Å; Y60-H880 VanDerWaalsContact CD1-CE1 3.41Å; Y60-H880 WeakPolarHBondContact CD1-CE1 2.77Å; Y60-H880 AromaticContact CD1-NE2 3.97Å; Y60-H880 AromaticContact CE1-CE1 3.03Å; Y60-H880 WeakPolarHBondContact CE1-CE1 3.28Å; Y60-H880 AromaticContact CE1-ND1 3.43Å; Y60-H880 WeakPolarHBondContact CE1-ND1 3.31Å; Y60-H880 AromaticContact CE1-NE2 3.46Å; Y60-H880 WeakPolarHBondContact CE1-NE2 3.46Å; Y60-H880 WeakPolarHBondContact CE1-O 3.4Å; Y60-H880 AromaticContact CZ-CE1 3.8Å; Y60-H880 AromaticContact CZ-NE2 3.74Å; Y60-H880 PolarHBondContact OH-O 3.48Å; Y60-L884 HydrophobicContact CD1-CB 4.06Å; Y60-L884 HydrophobicContact CD1-CD1 3.81Å; Y60-L884 HydrophobicContact CD1-CD2 3.7Å; Y60-L884 HydrophobicContact CD1-CG 4.06Å; Y60-L884 HydrophobicContact CD2-CD1 3.87Å; Y60-L884 HydrophobicContact CE1-CB 3.49Å; Y60-L884 VanDerWaalsContact CE1-CB 3.49Å; Y60-L884 HydrophobicContact CE1-CD1 4.02Å; Y60-L884 HydrophobicContact CE1-CD2 3.97Å; Y60-L884 HydrophobicContact CE1-CG 4.02Å; Y60-L884 HydrophobicContact CE2-CB 4.42Å; Y60-L884 HydrophobicContact CE2-CD1 4.09Å; Y60-L884 HydrophobicContact CG-CD1 3.73Å; Y60-L884 HydrophobicContact CG-CD2 4.35Å; Y60-L884 HydrophobicContact CG-CG 4.48Å; Y60-L884 PolarHBondContact OH-N 2.86Å; Y60-I889 HydrophobicContact CD2-CG2 3.56Å; Y60-I889 HydrophobicContact CE2-CB 4.25Å; Y60-I889 HydrophobicContact CE2-CD1 4Å; Y60-I889 HydrophobicContact CE2-CG2 3.51Å
61	V	96.4	Very high	94.6	Very high	13 Å²	13	30 Å²	30	8%	0.079	15%	0.151	C	C	.	.	H	α-helix	trans	-96.7	-50.3	174.7	-175.6	0	0	0	0	110.6	Q58 L59 F417 T603 P891 I893	Q58-V61 WeakPolarHBondContact O-CA 3.45Å; Q58-V61 WeakPolarHBondContact O-CB 3.31Å; Q58-V61 PolarHBondContact O-N 3.23Å; L59-V61 PolarHBondContact O-N 2.78Å; V61-F417 HydrophobicContact CG1-CE2 4.44Å; V61-F417 HydrophobicContact CG1-CZ 4.02Å; V61-F417 WeakPolarHBondContact O-CZ 3.3Å; V61-T603 HydrophobicContact CG1-CG2 3.87Å; V61-P891 HydrophobicContact CG2-CB 3.69Å; V61-I893 HydrophobicContact CG1-CG2 4.38Å
62	L	95.1	Very high	94.8	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.021	17%	0.172	C	C	.	.	H	α-helix	trans	-92.8	-38.6	-172.1	-61.7	179.6	0	0	0	113.3	Q58 A66 M70 K416 F417 I893	Q58-L62 HydrophobicContact CG-CD1 3.75Å; Q58-L62 HydrophobicContact CG-CG 4.21Å; Q58-L62 PolarHBondContact O-N 2.84Å; L62-A66 HydrophobicContact CB-CB 4.08Å; L62-A66 WeakPolarHBondContact O-CB 3.47Å; L62-M70 HydrophobicContact CD1-CE 4.22Å; L62-M70 HydrophobicContact CD1-SD 3.69Å; L62-K416 WeakPolarHBondContact O-CE 3.44Å; L62-F417 HydrophobicContact CD2-CE2 3.62Å; L62-F417 HydrophobicContact CD2-CZ 4.1Å; L62-I893 HydrophobicContact CD1-CD1 4.18Å; L62-I893 HydrophobicContact CD2-CD1 4.43Å; L62-I893 HydrophobicContact CG-CD1 4.31Å
63	G	94.3	Very high	95.2	Very high	26 Å²	26	30.6 Å²	30.6	27%	0.268	16%	0.158	S	C	.	.			trans	82.8	157.1	-167.6	0	0	0	0	0	113.5	L59 E65 A66 M67	L59-G63 VanDerWaalsContact O-CA 3.25Å; L59-G63 WeakPolarHBondContact O-CA 3.21Å; L59-G63 PolarHBondContact O-N 3.23Å; G63-E65 PolarHBondContact O-N 3.38Å; G63-A66 PolarHBondContact O-N 3.2Å; G63-M67 PolarHBondContact O-N 3.05Å; G63-M67 VanDerWaalsContact O-N 3.13Å
64	H	93.9	Very high	95.6	Very high	58 Å²	58	30.4 Å²	30.4	27%	0.269	15%	0.151	S	C	.	.	H	α-helix	trans	-58.5	-41.8	-177.6	-66.7	66.8	0	0	0	113.3	I50 E52 A66 M67 K68 H880	I50-H64 HydrophobicContact CD1-CB 4.19Å; E52-H64 IonicContact OE1-CD2 2.78Å; E52-H64 IonicContact OE1-CE1 2.71Å; E52-H64 IonicContact OE1-NE2 3.43Å; E52-H64 PolarHBondContact OE1-NE2 3.02Å; H64-A66 PolarHBondContact O-N 3.4Å; H64-M67 WeakPolarHBondContact O-CB 3.42Å; H64-M67 PolarHBondContact O-N 2.81Å; H64-K68 WeakPolarHBondContact O-CG 3.37Å; H64-K68 PolarHBondContact O-N 3.44Å; H64-H880 AromaticContact CE1-CD2 3.87Å; H64-H880 AromaticContact CE1-CE1 3.7Å; H64-H880 AromaticContact CE1-ND1 3.9Å; H64-H880 AromaticContact CE1-NE2 3.71Å
65	E	93.7	Very high	95.8	Very high	113 Å²	113	29.6 Å²	29.6	53%	0.528	15%	0.146	S	C	.	.	H	α-helix	trans	-65.2	-39.1	-178.5	-68.8	-56.4	123.9	0	0	112.8	G63 K68 R69	G63-E65 PolarHBondContact O-N 3.38Å; E65-K68 IonicContact OE1-NZ 2.86Å; E65-K68 PolarHBondContact OE1-NZ 3.25Å; E65-R69 PolarHBondContact O-N 3.43Å
66	A	95.9	Very high	96	Very high	3 Å²	3	29.5 Å²	29.5	3%	0.025	15%	0.146	C	C	.	.	H	α-helix	trans	-65.7	-41.9	173.4	0	0	0	0	0	110.9	L62 G63 H64 K68 R69 M70 T414 K416	L62-A66 HydrophobicContact CB-CB 4.08Å; L62-A66 WeakPolarHBondContact O-CB 3.47Å; G63-A66 PolarHBondContact O-N 3.2Å; H64-A66 PolarHBondContact O-N 3.4Å; A66-K68 PolarHBondContact O-N 3.27Å; A66-R69 PolarHBondContact O-N 3.39Å; A66-M70 PolarHBondContact O-N 2.87Å; A66-T414 HydrophobicContact CB-CG2 4.02Å; A66-T414 WeakPolarHBondContact O-CG2 3.46Å; A66-K416 HydrophobicContact CB-CB 4.08Å; A66-K416 HydrophobicContact CB-CG 4.35Å
67	M	96.4	Very high	96.3	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-62.4	-41.3	178.1	-168.1	68.2	-171.5	0	0	112.6	I50 Y55 Q58 L59 G63 H64 R69 M70 Q71 G94	I50-M67 HydrophobicContact CD1-CB 3.76Å; I50-M67 HydrophobicContact CD1-CG 3.85Å; I50-M67 HydrophobicContact CG1-CG 4.1Å; I50-M67 HydrophobicContact CG2-CG 4.1Å; Y55-M67 HydrophobicContact CD1-CE 3.56Å; Y55-M67 HydrophobicContact CD1-SD 4.5Å; Y55-M67 HydrophobicContact CD2-CE 3.86Å; Y55-M67 HydrophobicContact CE1-CE 3.38Å; Y55-M67 HydrophobicContact CE2-CE 3.69Å; Y55-M67 HydrophobicContact CG-CE 3.79Å; Y55-M67 VanDerWaalsContact CZ-CE 3.44Å; Q58-M67 PolarHBondContact NE2-SD 3.46Å; Q58-M67 VanDerWaalsContact NE2-SD 3.44Å; L59-M67 HydrophobicContact CD2-CB 4.11Å; L59-M67 HydrophobicContact CD2-CG 4.34Å; G63-M67 PolarHBondContact O-N 3.05Å; G63-M67 VanDerWaalsContact O-N 3.13Å; H64-M67 WeakPolarHBondContact O-CB 3.42Å; H64-M67 PolarHBondContact O-N 2.81Å; M67-R69 VanDerWaalsContact C-N 3.31Å; M67-R69 PolarHBondContact O-N 2.67Å; M67-M70 WeakPolarHBondContact O-CB 3.49Å; M67-M70 PolarHBondContact O-N 2.93Å; M67-M70 VanDerWaalsContact O-N 3.16Å; M67-Q71 HydrophobicContact CE-CG 4.5Å; M67-Q71 WeakPolarHBondContact O-CG 3.42Å; M67-Q71 PolarHBondContact O-N 3.44Å; M67-G94 WeakPolarHBondContact CE-O 3.38Å
68	K	96.3	Very high	96.5	Very high	93 Å²	93	28.5 Å²	28.5	40%	0.404	14%	0.142	S	C	.	.	H	α-helix	trans	-59.8	-39.5	174.3	-71.6	176.1	-172.6	167.1	0	112.3	I50 H64 E65 A66 N72	I50-K68 HydrophobicContact CD1-CG 3.97Å; H64-K68 WeakPolarHBondContact O-CG 3.37Å; H64-K68 PolarHBondContact O-N 3.44Å; E65-K68 IonicContact OE1-NZ 2.86Å; E65-K68 PolarHBondContact OE1-NZ 3.25Å; A66-K68 PolarHBondContact O-N 3.27Å; K68-N72 PolarHBondContact O-ND2 2.82Å
69	R	96.4	Very high	96.5	Very high	73 Å²	73	28.8 Å²	28.8	28%	0.275	15%	0.146	S	C	.	.	H	α-helix	trans	-67.2	-38.8	175.4	-69.2	-172	-70	-127.1	8.4	111.9	E65 A66 M67 N72 S73 Y209 T414	E65-R69 PolarHBondContact O-N 3.43Å; A66-R69 PolarHBondContact O-N 3.39Å; M67-R69 VanDerWaalsContact C-N 3.31Å; M67-R69 PolarHBondContact O-N 2.67Å; R69-N72 PolarHBondContact O-N 2.82Å; R69-S73 PolarHBondContact O-N 3.49Å; R69-S73 PolarHBondContact O-OG 2.74Å; R69-S73 VanDerWaalsContact O-OG 3.07Å; R69-Y209 VanDerWaalsContact NH1-CE2 3.3Å; R69-Y209 VanDerWaalsContact NH2-CD2 3.32Å; R69-T414 PolarHBondContact NE-O 2.88Å; R69-T414 PolarHBondContact NH2-O 2.91Å
70	M	95.5	Very high	96.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.5	-45.1	173.8	-83.6	166	67.1	0	0	112.9	L62 A66 M67 N72 S73 G94 V96 R97 M410 T414	L62-M70 HydrophobicContact CD1-CE 4.22Å; L62-M70 HydrophobicContact CD1-SD 3.69Å; A66-M70 PolarHBondContact O-N 2.87Å; M67-M70 WeakPolarHBondContact O-CB 3.49Å; M67-M70 PolarHBondContact O-N 2.93Å; M67-M70 VanDerWaalsContact O-N 3.16Å; M70-N72 PolarHBondContact O-N 3.19Å; M70-S73 PolarHBondContact O-N 3Å; M70-G94 WeakPolarHBondContact CE-O 3.48Å; M70-V96 HydrophobicContact CE-CG1 4.39Å; M70-V96 CarbonylContact O-C 3.32Å; M70-V96 VanDerWaalsContact O-CA 3.31Å; M70-V96 WeakPolarHBondContact O-CA 3.42Å; M70-R97 PolarHBondContact O-N 3Å; M70-R97 VanDerWaalsContact O-N 3.14Å; M70-M410 HydrophobicContact CE-CB 4.49Å; M70-M410 HydrophobicContact CE-CG 3.9Å; M70-M410 HydrophobicContact CE-SD 4.22Å; M70-M410 HydrophobicContact SD-CB 4.29Å; M70-M410 HydrophobicContact SD-CG 4.34Å; M70-T414 HydrophobicContact CB-CG2 4.41Å; M70-T414 HydrophobicContact CG-CG2 3.29Å; M70-T414 HydrophobicContact SD-CG2 3.58Å; M70-T414 VanDerWaalsContact SD-CG2 3.58Å
71	Q	96	Very high	96.8	Very high	38 Å²	38	29.6 Å²	29.6	18%	0.178	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-9.9	178.1	-72.5	178.5	-29.2	0	0	113.9	M67 R97	M67-Q71 HydrophobicContact CE-CG 4.5Å; M67-Q71 WeakPolarHBondContact O-CG 3.42Å; M67-Q71 PolarHBondContact O-N 3.44Å; Q71-R97 WeakPolarHBondContact O-CA 3.42Å; Q71-R97 WeakPolarHBondContact O-CB 3.31Å; Q71-R97 WeakPolarHBondContact O-CG 3.27Å
72	N	96.6	Very high	96.9	Very high	108 Å²	108	29 Å²	29	58%	0.578	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-0.7	174.7	-72.7	-59.4	0	0	0	114	K68 R69 M70	K68-N72 PolarHBondContact O-ND2 2.82Å; R69-N72 PolarHBondContact O-N 2.82Å; M70-N72 PolarHBondContact O-N 3.19Å
73	S	97.9	Very high	97.1	Very high	10 Å²	10	28.9 Å²	28.9	7%	0.07	14%	0.144	C	C	.	.			trans	-102.4	121.3	-176.8	-61.5	0	0	0	0	112.3	R69 M70 R97	R69-S73 PolarHBondContact O-N 3.49Å; R69-S73 PolarHBondContact O-OG 2.74Å; R69-S73 VanDerWaalsContact O-OG 3.07Å; M70-S73 PolarHBondContact O-N 3Å; S73-R97 VanDerWaalsContact O-CB 3.23Å; S73-R97 WeakPolarHBondContact O-CB 3.32Å; S73-R97 PolarHBondContact O-N 2.85Å
74	N	98.7	Very high	97.3	Very high	24 Å²	24	27.6 Å²	27.6	13%	0.128	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	132.8	169.4	-58.5	-49.2	0	0	0	109.6	R97 S98 F159 Q160 V161	N74-R97 VanDerWaalsContact OD1-CD 3.29Å; N74-R97 WeakPolarHBondContact OD1-CD 3.47Å; N74-R97 WeakPolarHBondContact OD1-CG 3.45Å; N74-S98 PolarHBondContact OD1-OG 3.35Å; N74-F159 HydrophobicContact CB-CD1 4Å; N74-Q160 PolarHBondContact ND2-OE1 3.44Å; N74-Q160 PolarHBondContact O-N 2.87Å; N74-V161 PolarHBondContact O-N 3.19Å
75	V	98.9	Very high	97.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	131.4	-177.7	-174.6	0	0	0	0	110.5	I77 V91 V96 S98 V99 T100 V161 V163 V409	V75-I77 HydrophobicContact CG1-CG1 4.07Å; V75-V91 HydrophobicContact CB-CG1 4.3Å; V75-V91 HydrophobicContact CG1-CG1 4.3Å; V75-V91 HydrophobicContact CG2-CG1 4.11Å; V75-V96 HydrophobicContact CG2-CB 4.24Å; V75-V96 HydrophobicContact CG2-CG1 4.07Å; V75-V96 HydrophobicContact CG2-CG2 4.17Å; V75-S98 PolarHBondContact N-O 3.16Å; V75-V99 CarbonylContact O-C 3.56Å; V75-V99 WeakPolarHBondContact O-CA 3.49Å; V75-T100 PolarHBondContact O-N 3.33Å; V75-V161 WeakPolarHBondContact CA-O 3.36Å; V75-V161 HydrophobicContact CG1-CB 4.37Å; V75-V161 HydrophobicContact CG2-CB 4.33Å; V75-V163 HydrophobicContact CG1-CG2 4.34Å; V75-V409 HydrophobicContact CG1-CG1 3.91Å; V75-V409 HydrophobicContact CG2-CG1 3.95Å
76	L	98.9	Very high	97.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	133.7	167.9	174.4	66.6	0	0	0	109.6	T100 H102 L151 L156 F159 V161 V162 V163	L76-T100 CarbonylContact C-O 3.57Å; L76-T100 WeakPolarHBondContact CA-O 3.23Å; L76-T100 HydrophobicContact CD1-CG2 3.73Å; L76-H102 HydrophobicContact CD1-CB 4.02Å; L76-L151 HydrophobicContact CD2-CD2 3.88Å; L76-L156 HydrophobicContact CD2-CD2 3.46Å; L76-L156 VanDerWaalsContact CD2-CD2 3.46Å; L76-F159 HydrophobicContact CB-CB 4.33Å; L76-F159 HydrophobicContact CB-CD1 3.77Å; L76-F159 HydrophobicContact CB-CD2 3.78Å; L76-F159 HydrophobicContact CB-CE1 3.98Å; L76-F159 HydrophobicContact CB-CE2 3.98Å; L76-F159 HydrophobicContact CB-CG 3.67Å; L76-F159 HydrophobicContact CB-CZ 4.08Å; L76-F159 HydrophobicContact CD1-CE2 4.33Å; L76-F159 HydrophobicContact CD1-CZ 4.2Å; L76-F159 HydrophobicContact CD2-CD2 4.09Å; L76-F159 HydrophobicContact CD2-CE2 4.03Å; L76-F159 HydrophobicContact CG-CD2 4.47Å; L76-F159 HydrophobicContact CG-CE2 4.35Å; L76-V161 PolarHBondContact N-O 3.49Å; L76-V162 HydrophobicContact CB-CG2 4.29Å; L76-V162 HydrophobicContact CD2-CG1 4.19Å; L76-V162 HydrophobicContact CD2-CG2 4.3Å; L76-V163 PolarHBondContact O-N 3.37Å
77	I	98.9	Very high	98	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	111	173.8	-56.5	173.7	0	0	0	108.3	V75 I87 A88 V99 T100 V101 H102 V163	V75-I77 HydrophobicContact CG1-CG1 4.07Å; I77-I87 HydrophobicContact CD1-CG2 4.05Å; I77-A88 HydrophobicContact CD1-CB 3.64Å; I77-V99 HydrophobicContact CD1-CG1 4Å; I77-V99 HydrophobicContact CG1-CG1 4.49Å; I77-T100 PolarHBondContact N-O 2.93Å; I77-V101 CarbonylContact O-C 3.5Å; I77-V101 WeakPolarHBondContact O-CA 3.49Å; I77-H102 PolarHBondContact O-N 2.84Å; I77-V163 HydrophobicContact CB-CB 4.49Å; I77-V163 HydrophobicContact CG1-CB 4.2Å; I77-V163 HydrophobicContact CG1-CG2 4.14Å; I77-V163 HydrophobicContact CG2-CB 4.4Å
78	S	98.6	Very high	98.1	Very high	5 Å²	5	19.5 Å²	19.5	4%	0.035	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	129.1	-180	-174	0	0	0	0	110.9	H102 V163 T165	S78-H102 CarbonylContact C-O 3.58Å; S78-H102 PolarHBondContact OG-ND1 2.82Å; S78-V163 PolarHBondContact N-O 3.22Å; S78-T165 WeakPolarHBondContact O-CA 3.32Å; S78-T165 PolarHBondContact O-N 3.18Å; S78-T165 PolarHBondContact O-OG1 2.95Å
79	G	98.2	Very high	98.2	Very high	8 Å²	8	15 Å²	15	8%	0.082	7%	0.074	C	C	.	.			trans	90.9	121.4	-170.3	0	0	0	0	0	111.3	G84 H102 T165	G79-G84 WeakPolarHBondContact O-CA 3.47Å; G79-H102 PolarHBondContact N-O 2.81Å; G79-T165 WeakPolarHBondContact CA-OG1 3.23Å; G79-T165 PolarHBondContact O-OG1 2.98Å; G79-T165 VanDerWaalsContact O-OG1 3.1Å
80	M	98.4	Very high	98.3	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.06	C	C	.	.			trans	-122	37.2	-175.3	-73.1	-54.5	-37.4	0	0	113.7	V85 V101 D103 R127 A128 L135	M80-V85 VanDerWaalsContact CE-CA 3.44Å; M80-V85 HydrophobicContact CE-CB 3.56Å; M80-V85 HydrophobicContact CE-CG2 3.99Å; M80-V101 HydrophobicContact CG-CB 3.98Å; M80-V101 HydrophobicContact SD-CB 3.65Å; M80-V101 HydrophobicContact SD-CG1 3.61Å; M80-D103 WeakPolarHBondContact CA-OD2 3.35Å; M80-D103 HydrophobicContact CB-CB 3.96Å; M80-D103 HydrophobicContact CG-CB 4.22Å; M80-D103 PolarHBondContact N-OD2 3.14Å; M80-R127 HydrophobicContact CB-CB 3.93Å; M80-A128 HydrophobicContact CG-CB 4.14Å; M80-L135 HydrophobicContact CE-CD1 4.21Å
81	R	98.4	Very high	98.5	Very high	45 Å²	45	11.6 Å²	11.6	17%	0.17	6%	0.06	C	C	.	.	S	Bend	trans	-77.5	-168.8	162.6	-63.2	-171.1	170.6	-168.2	-8	110.6	L83 G84 V85 D111	R81-L83 PolarHBondContact O-N 3.26Å; R81-G84 PolarHBondContact O-N 3.15Å; R81-V85 PolarHBondContact O-N 2.84Å; R81-D111 WeakPolarHBondContact CD-OD1 3.15Å; R81-D111 WeakPolarHBondContact CG-OD1 3.38Å; R81-D111 IonicContact CZ-OD1 2.67Å; R81-D111 IonicContact NE-OD1 3.11Å; R81-D111 PolarHBondContact NE-OD1 3.3Å; R81-D111 VanDerWaalsContact NE-OD1 3.14Å; R81-D111 IonicContact NH2-OD1 3.95Å
82	G	98.7	Very high	98.6	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.01	5%	0.052	C	C	.	.	H	α-helix	trans	-51.4	-48.5	-179.7	0	0	0	0	0	115.1	V85 E86 S114	G82-V85 VanDerWaalsContact O-CG1 3.26Å; G82-V85 WeakPolarHBondContact O-CG1 3.31Å; G82-V85 PolarHBondContact O-N 3.19Å; G82-E86 WeakPolarHBondContact O-CB 3.46Å; G82-E86 PolarHBondContact O-N 3.22Å; G82-S114 WeakPolarHBondContact CA-OG 3.37Å
83	L	98.9	Very high	98.7	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-62.1	-48.1	179.9	-177	62.7	0	0	0	111.9	R81 V85 E86 I87 T165 A189 T191 I401	R81-L83 PolarHBondContact O-N 3.26Å; L83-V85 PolarHBondContact O-N 2.97Å; L83-E86 PolarHBondContact O-N 3.14Å; L83-I87 HydrophobicContact CD1-CD1 4.25Å; L83-I87 HydrophobicContact CG-CD1 4.07Å; L83-I87 VanDerWaalsContact O-CG1 3.31Å; L83-I87 WeakPolarHBondContact O-CG1 3.41Å; L83-I87 PolarHBondContact O-N 2.7Å; L83-T165 HydrophobicContact CD2-CG2 4.09Å; L83-T165 HydrophobicContact CG-CG2 4.19Å; L83-A189 HydrophobicContact CD2-CB 3.82Å; L83-A189 VanDerWaalsContact CD2-O 3.29Å; L83-A189 WeakPolarHBondContact CD2-O 3.4Å; L83-T191 HydrophobicContact CD1-CG2 4.1Å; L83-T191 HydrophobicContact CD2-CG2 3.93Å; L83-T191 HydrophobicContact CG-CG2 4.46Å; L83-I401 HydrophobicContact CD1-CB 3.96Å; L83-I401 HydrophobicContact CD1-CG2 3.91Å
84	G	98.8	Very high	98.7	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-60.9	-43.7	179.1	0	0	0	0	0	113.2	G79 R81 I87 A88	G79-G84 WeakPolarHBondContact O-CA 3.47Å; R81-G84 PolarHBondContact O-N 3.15Å; G84-I87 PolarHBondContact O-N 2.93Å; G84-A88 WeakPolarHBondContact O-CB 3.33Å; G84-A88 PolarHBondContact O-N 3.17Å
85	V	98.9	Very high	98.7	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-68.8	-33.7	178	74.3	0	0	0	0	112.6	M80 R81 G82 L83 A88 K89 Q115 F116 Y117 L135	M80-V85 VanDerWaalsContact CE-CA 3.44Å; M80-V85 HydrophobicContact CE-CB 3.56Å; M80-V85 HydrophobicContact CE-CG2 3.99Å; R81-V85 PolarHBondContact O-N 2.84Å; G82-V85 VanDerWaalsContact O-CG1 3.26Å; G82-V85 WeakPolarHBondContact O-CG1 3.31Å; G82-V85 PolarHBondContact O-N 3.19Å; L83-V85 PolarHBondContact O-N 2.97Å; V85-A88 PolarHBondContact O-N 2.93Å; V85-K89 VanDerWaalsContact O-CB 3.31Å; V85-K89 WeakPolarHBondContact O-CB 3.15Å; V85-K89 PolarHBondContact O-N 2.97Å; V85-Q115 HydrophobicContact CB-CG 4.19Å; V85-Q115 HydrophobicContact CG1-CB 4.41Å; V85-Q115 HydrophobicContact CG1-CG 3.7Å; V85-F116 HydrophobicContact CB-CZ 4.44Å; V85-F116 HydrophobicContact CG1-CD1 4.17Å; V85-F116 HydrophobicContact CG1-CE1 3.7Å; V85-F116 HydrophobicContact CG1-CZ 3.9Å; V85-F116 HydrophobicContact CG2-CE2 4.06Å; V85-F116 HydrophobicContact CG2-CZ 3.96Å; V85-Y117 HydrophobicContact CG2-CD2 3.68Å; V85-Y117 HydrophobicContact CG2-CE2 4.39Å; V85-Y117 HydrophobicContact CG2-CG 4.38Å; V85-L135 HydrophobicContact CG2-CD2 4.18Å
86	E	98.9	Very high	98.6	Very high	4 Å²	4	3.3 Å²	3.3	2%	0.019	2%	0.017	C	C	.	.	H	α-helix	trans	-65.7	-45.1	174.4	-173	67.4	-138.5	0	0	111.4	G82 L83 K89 N90 F116 N398 K486 A898	G82-E86 WeakPolarHBondContact O-CB 3.46Å; G82-E86 PolarHBondContact O-N 3.22Å; L83-E86 PolarHBondContact O-N 3.14Å; E86-K89 PolarHBondContact O-N 3.09Å; E86-K89 WeakPolarHBondContact OE1-CE 3.44Å; E86-K89 IonicContact OE1-NZ 2.7Å; E86-K89 PolarHBondContact OE1-NZ 3.49Å; E86-N90 PolarHBondContact O-N 2.95Å; E86-N90 PolarHBondContact O-ND2 2.74Å; E86-N90 PolarHBondContact OE1-ND2 3.04Å; E86-N90 VanDerWaalsContact OE1-ND2 3.12Å; E86-F116 WeakPolarHBondContact OE2-CE1 3.41Å; E86-N398 WeakPolarHBondContact CG-O 3.41Å; E86-K486 IonicContact OE1-NZ 2.65Å; E86-K486 IonicContact OE2-NZ 3.69Å; E86-K486 PolarHBondContact OE2-NZ 2.86Å; E86-A898 WeakPolarHBondContact OE1-CB 3.38Å
87	I	98.9	Very high	98.6	Very high	0 Å²	0	10 Å²	10	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-61.7	-48.8	175.4	-63.9	169.6	0	0	0	109.7	I77 L83 G84 K89 N90 V91 V163 T165 A189 A405 A406	I77-I87 HydrophobicContact CD1-CG2 4.05Å; L83-I87 HydrophobicContact CD1-CD1 4.25Å; L83-I87 HydrophobicContact CG-CD1 4.07Å; L83-I87 VanDerWaalsContact O-CG1 3.31Å; L83-I87 WeakPolarHBondContact O-CG1 3.41Å; L83-I87 PolarHBondContact O-N 2.7Å; G84-I87 PolarHBondContact O-N 2.93Å; I87-K89 PolarHBondContact O-N 3.1Å; I87-N90 PolarHBondContact O-N 3.46Å; I87-V91 HydrophobicContact CG2-CG2 4.1Å; I87-V91 VanDerWaalsContact O-CG2 3.31Å; I87-V91 WeakPolarHBondContact O-CG2 3.45Å; I87-V91 PolarHBondContact O-N 3.14Å; I87-V163 HydrophobicContact CD1-CG1 4Å; I87-V163 HydrophobicContact CG2-CG1 4.38Å; I87-T165 HydrophobicContact CD1-CG2 3.8Å; I87-A189 HydrophobicContact CD1-CB 4.38Å; I87-A405 HydrophobicContact CD1-CB 3.67Å; I87-A405 HydrophobicContact CG1-CB 3.95Å; I87-A406 HydrophobicContact CG2-CB 4.28Å
88	A	98.9	Very high	98.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-58.6	-46.7	-179.8	0	0	0	0	0	112.1	I77 G84 V85 N90 V91 I92 V101 L135	I77-A88 HydrophobicContact CD1-CB 3.64Å; G84-A88 WeakPolarHBondContact O-CB 3.33Å; G84-A88 PolarHBondContact O-N 3.17Å; V85-A88 PolarHBondContact O-N 2.93Å; A88-N90 VanDerWaalsContact C-N 3.34Å; A88-N90 PolarHBondContact O-N 2.82Å; A88-V91 PolarHBondContact O-N 3.33Å; A88-I92 HydrophobicContact CB-CD1 4.42Å; A88-I92 WeakPolarHBondContact O-CB 3.49Å; A88-I92 VanDerWaalsContact O-CD1 3.32Å; A88-I92 WeakPolarHBondContact O-CD1 3.49Å; A88-I92 WeakPolarHBondContact O-CG1 3.44Å; A88-I92 PolarHBondContact O-N 3.31Å; A88-V101 HydrophobicContact CB-CG1 4.25Å; A88-L135 HydrophobicContact CB-CD1 4.22Å; A88-L135 HydrophobicContact CB-CD2 3.89Å
89	K	98.9	Very high	98.6	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-51.9	-53	175.3	175	-160.8	69.3	88.5	0	111.1	V85 E86 I87 L93 F116 L138 E483 F517	V85-K89 VanDerWaalsContact O-CB 3.31Å; V85-K89 WeakPolarHBondContact O-CB 3.15Å; V85-K89 PolarHBondContact O-N 2.97Å; E86-K89 PolarHBondContact O-N 3.09Å; E86-K89 WeakPolarHBondContact OE1-CE 3.44Å; E86-K89 IonicContact OE1-NZ 2.7Å; E86-K89 PolarHBondContact OE1-NZ 3.49Å; I87-K89 PolarHBondContact O-N 3.1Å; K89-L93 HydrophobicContact CG-CD1 3.93Å; K89-L93 WeakPolarHBondContact O-CB 2.91Å; K89-L93 VanDerWaalsContact O-CG 3.23Å; K89-L93 WeakPolarHBondContact O-CG 3.43Å; K89-L93 PolarHBondContact O-N 3.03Å; K89-F116 HydrophobicContact CB-CZ 4.13Å; K89-F116 HydrophobicContact CD-CE2 4.28Å; K89-F116 HydrophobicContact CD-CZ 3.89Å; K89-F116 HydrophobicContact CG-CZ 4.48Å; K89-L138 HydrophobicContact CB-CD1 4.07Å; K89-L138 HydrophobicContact CG-CD1 3.87Å; K89-E483 WeakPolarHBondContact CE-OE1 3.32Å; K89-E483 IonicContact NZ-OE1 2.68Å; K89-E483 PolarHBondContact NZ-OE1 2.77Å; K89-F517 HydrophobicContact CD-CB 4.26Å; K89-F517 HydrophobicContact CD-CD1 3.88Å; K89-F517 HydrophobicContact CD-CD2 3.82Å; K89-F517 HydrophobicContact CD-CE1 4.15Å; K89-F517 HydrophobicContact CD-CE2 4.08Å; K89-F517 HydrophobicContact CD-CG 3.71Å; K89-F517 HydrophobicContact CD-CZ 4.25Å; K89-F517 HydrophobicContact CG-CB 4.35Å; K89-F517 HydrophobicContact CG-CD2 4.28Å; K89-F517 HydrophobicContact CG-CG 4.25Å
90	N	98.9	Very high	98.6	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-68.1	-38.1	-175.8	-71.4	-54.1	0	0	0	112.5	E86 I87 A88 G94 A406 M410 A894 T895	E86-N90 PolarHBondContact O-N 2.95Å; E86-N90 PolarHBondContact O-ND2 2.74Å; E86-N90 PolarHBondContact OE1-ND2 3.04Å; E86-N90 VanDerWaalsContact OE1-ND2 3.12Å; I87-N90 PolarHBondContact O-N 3.46Å; A88-N90 VanDerWaalsContact C-N 3.34Å; A88-N90 PolarHBondContact O-N 2.82Å; N90-G94 PolarHBondContact O-N 3.07Å; N90-A406 HydrophobicContact CB-CB 3.41Å; N90-A406 VanDerWaalsContact CB-CB 3.41Å; N90-M410 WeakPolarHBondContact O-CE 3.38Å; N90-A894 WeakPolarHBondContact OD1-CB 3.42Å; N90-A894 PolarHBondContact OD1-O 2.7Å; N90-T895 HydrophobicContact CB-CG2 4.12Å
91	V	98.9	Very high	98.7	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-68.9	-41	177.4	173.3	0	0	0	0	111.9	V75 I87 A88 G94 G95 V96 V99 A406 V409	V75-V91 HydrophobicContact CB-CG1 4.3Å; V75-V91 HydrophobicContact CG1-CG1 4.3Å; V75-V91 HydrophobicContact CG2-CG1 4.11Å; I87-V91 HydrophobicContact CG2-CG2 4.1Å; I87-V91 VanDerWaalsContact O-CG2 3.31Å; I87-V91 WeakPolarHBondContact O-CG2 3.45Å; I87-V91 PolarHBondContact O-N 3.14Å; A88-V91 PolarHBondContact O-N 3.33Å; V91-G94 WeakPolarHBondContact O-CA 3.39Å; V91-G94 PolarHBondContact O-N 3.43Å; V91-G95 PolarHBondContact O-N 3.22Å; V91-V96 HydrophobicContact CG1-CB 4.44Å; V91-V96 HydrophobicContact CG1-CG1 3.79Å; V91-V96 HydrophobicContact CG1-CG2 3.77Å; V91-V99 HydrophobicContact CG1-CG2 3.93Å; V91-A406 HydrophobicContact CG2-CB 4.01Å; V91-V409 HydrophobicContact CG1-CG1 4.13Å; V91-V409 HydrophobicContact CG2-CB 3.96Å; V91-V409 HydrophobicContact CG2-CG1 3.77Å; V91-V409 HydrophobicContact CG2-CG2 4.3Å
92	I	98.9	Very high	98.7	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-64.7	-47.3	176.9	-67.7	162.9	0	0	0	110.5	A88 G94 G95 V99 L135 L138 N139 V142 V144	A88-I92 HydrophobicContact CB-CD1 4.42Å; A88-I92 WeakPolarHBondContact O-CB 3.49Å; A88-I92 VanDerWaalsContact O-CD1 3.32Å; A88-I92 WeakPolarHBondContact O-CD1 3.49Å; A88-I92 WeakPolarHBondContact O-CG1 3.44Å; A88-I92 PolarHBondContact O-N 3.31Å; I92-G94 PolarHBondContact O-N 2.67Å; I92-G95 PolarHBondContact O-N 2.98Å; I92-G95 VanDerWaalsContact O-N 3.08Å; I92-V99 HydrophobicContact CD1-CG1 4.48Å; I92-V99 HydrophobicContact CG1-CB 4.03Å; I92-V99 HydrophobicContact CG1-CG1 4.31Å; I92-V99 HydrophobicContact CG1-CG2 3.69Å; I92-L135 HydrophobicContact CD1-CB 3.71Å; I92-L135 HydrophobicContact CD1-CD2 3.68Å; I92-L135 HydrophobicContact CD1-CG 4.2Å; I92-L138 HydrophobicContact CG2-CB 3.79Å; I92-L138 HydrophobicContact CG2-CD1 4.46Å; I92-N139 HydrophobicContact CG2-CB 3.73Å; I92-N139 WeakPolarHBondContact O-CB 3.45Å; I92-N139 PolarHBondContact O-ND2 2.96Å; I92-V142 HydrophobicContact CG1-CG1 4.44Å; I92-V142 HydrophobicContact CG2-CB 4.19Å; I92-V142 HydrophobicContact CG2-CG1 4.41Å; I92-V142 WeakPolarHBondContact O-CG2 3.24Å; I92-V144 HydrophobicContact CD1-CG1 4.45Å; I92-V144 HydrophobicContact CD1-CG2 3.67Å; I92-V144 HydrophobicContact CG1-CG2 4.06Å
93	L	98.6	Very high	98.7	Very high	2 Å²	2	9.6 Å²	9.6	1%	0.01	4%	0.043	C	C	.	.	H	α-helix	trans	-61	-32.8	174.4	-72.1	172.2	0	0	0	112.1	K89 G95 L138 L513 N514 F517 A894	K89-L93 HydrophobicContact CG-CD1 3.93Å; K89-L93 WeakPolarHBondContact O-CB 2.91Å; K89-L93 VanDerWaalsContact O-CG 3.23Å; K89-L93 WeakPolarHBondContact O-CG 3.43Å; K89-L93 PolarHBondContact O-N 3.03Å; L93-G95 PolarHBondContact O-N 3.4Å; L93-L138 HydrophobicContact CD2-CB 4.15Å; L93-L138 HydrophobicContact CD2-CD2 4.46Å; L93-L513 WeakPolarHBondContact CD2-O 3.36Å; L93-N514 WeakPolarHBondContact CB-O 3.49Å; L93-N514 PolarHBondContact O-ND2 3.31Å; L93-F517 HydrophobicContact CD1-CB 3.76Å; L93-A894 HydrophobicContact CD1-CB 4.1Å
94	G	97.6	Very high	98.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60.5	-26.6	173.7	0	0	0	0	0	114.6	Q58 M67 M70 N90 V91 I92	Q58-G94 PolarHBondContact NE2-O 3.22Å; M67-G94 WeakPolarHBondContact CE-O 3.38Å; M70-G94 WeakPolarHBondContact CE-O 3.48Å; N90-G94 PolarHBondContact O-N 3.07Å; V91-G94 WeakPolarHBondContact O-CA 3.39Å; V91-G94 PolarHBondContact O-N 3.43Å; I92-G94 PolarHBondContact O-N 2.67Å
95	G	97.8	Very high	98.4	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.01	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	49.7	176.1	0	0	0	0	0	114.5	Y55 V91 I92 L93	Y55-G95 WeakPolarHBondContact OH-CA 3.23Å; V91-G95 PolarHBondContact O-N 3.22Å; I92-G95 PolarHBondContact O-N 2.98Å; I92-G95 VanDerWaalsContact O-N 3.08Å; L93-G95 PolarHBondContact O-N 3.4Å
96	V	98.4	Very high	98.4	Very high	4 Å²	4	20.6 Å²	20.6	2%	0.024	10%	0.103	C	C	.	.			trans	-74.7	172.3	169.7	-61.4	0	0	0	0	112.2	M70 V75 V91 S98 V99 V142	M70-V96 HydrophobicContact CE-CG1 4.39Å; M70-V96 CarbonylContact O-C 3.32Å; M70-V96 VanDerWaalsContact O-CA 3.31Å; M70-V96 WeakPolarHBondContact O-CA 3.42Å; V75-V96 HydrophobicContact CG2-CB 4.24Å; V75-V96 HydrophobicContact CG2-CG1 4.07Å; V75-V96 HydrophobicContact CG2-CG2 4.17Å; V91-V96 HydrophobicContact CG1-CB 4.44Å; V91-V96 HydrophobicContact CG1-CG1 3.79Å; V91-V96 HydrophobicContact CG1-CG2 3.77Å; V96-S98 PolarHBondContact O-N 2.86Å; V96-V99 HydrophobicContact CG2-CG2 3.48Å; V96-V99 VanDerWaalsContact CG2-CG2 3.48Å; V96-V142 HydrophobicContact CG2-CG1 4.01Å; V96-V142 WeakPolarHBondContact O-CG2 2.95Å
97	R	98.1	Very high	98.3	Very high	141 Å²	141	20.7 Å²	20.7	53%	0.532	10%	0.104	S	C	.	.	S	Bend	trans	-60.8	-46.7	179	-172.6	173.4	169.8	-176.2	1.2	113.1	M70 Q71 S73 N74 P143	M70-R97 PolarHBondContact O-N 3Å; M70-R97 VanDerWaalsContact O-N 3.14Å; Q71-R97 WeakPolarHBondContact O-CA 3.42Å; Q71-R97 WeakPolarHBondContact O-CB 3.31Å; Q71-R97 WeakPolarHBondContact O-CG 3.27Å; S73-R97 VanDerWaalsContact O-CB 3.23Å; S73-R97 WeakPolarHBondContact O-CB 3.32Å; S73-R97 PolarHBondContact O-N 2.85Å; N74-R97 VanDerWaalsContact OD1-CD 3.29Å; N74-R97 WeakPolarHBondContact OD1-CD 3.47Å; N74-R97 WeakPolarHBondContact OD1-CG 3.45Å; R97-P143 VanDerWaalsContact O-CD 3.31Å; R97-P143 WeakPolarHBondContact O-CD 3.32Å
98	S	98.8	Very high	98.3	Very high	23 Å²	23	25.2 Å²	25.2	16%	0.161	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	154.3	179.8	68.8	0	0	0	0	110.2	N74 V75 V96 P143	N74-S98 PolarHBondContact OD1-OG 3.35Å; V75-S98 PolarHBondContact N-O 3.16Å; V96-S98 PolarHBondContact O-N 2.86Å; S98-P143 WeakPolarHBondContact CA-O 3.31Å
99	V	98.9	Very high	98.2	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	126	173	176.8	0	0	0	0	109.5	V75 I77 V91 I92 V96 V101 V142 P143 V144 T145	V75-V99 CarbonylContact O-C 3.56Å; V75-V99 WeakPolarHBondContact O-CA 3.49Å; I77-V99 HydrophobicContact CD1-CG1 4Å; I77-V99 HydrophobicContact CG1-CG1 4.49Å; V91-V99 HydrophobicContact CG1-CG2 3.93Å; I92-V99 HydrophobicContact CD1-CG1 4.48Å; I92-V99 HydrophobicContact CG1-CB 4.03Å; I92-V99 HydrophobicContact CG1-CG1 4.31Å; I92-V99 HydrophobicContact CG1-CG2 3.69Å; V96-V99 HydrophobicContact CG2-CG2 3.48Å; V96-V99 VanDerWaalsContact CG2-CG2 3.48Å; V99-V101 HydrophobicContact CG1-CG1 4.15Å; V99-V142 HydrophobicContact CG2-CG1 3.97Å; V99-P143 PolarHBondContact N-O 2.92Å; V99-V144 CarbonylContact O-C 3.54Å; V99-V144 VanDerWaalsContact O-CA 3.23Å; V99-V144 WeakPolarHBondContact O-CA 3.48Å; V99-T145 PolarHBondContact O-N 2.77Å
100	T	98.9	Very high	98.1	Very high	8 Å²	8	32 Å²	32	5%	0.049	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.6	165.6	-62.8	0	0	0	0	108.9	V75 L76 I77 T145 F159	V75-T100 PolarHBondContact O-N 3.33Å; L76-T100 CarbonylContact C-O 3.57Å; L76-T100 WeakPolarHBondContact CA-O 3.23Å; L76-T100 HydrophobicContact CD1-CG2 3.73Å; I77-T100 PolarHBondContact N-O 2.93Å; T100-T145 CarbonylContact C-O 3.52Å; T100-T145 VanDerWaalsContact CA-O 3.31Å; T100-T145 WeakPolarHBondContact CA-O 3.33Å; T100-T145 PolarHBondContact OG1-OG1 3.09Å; T100-F159 HydrophobicContact CG2-CZ 4.2Å; T100-F159 WeakPolarHBondContact OG1-CE1 3.45Å
101	V	98.8	Very high	98.1	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	133.5	171.4	-67.2	0	0	0	0	109.9	I77 M80 A88 V99 A128 Q132 L135 V144 T145 A146 Y147	I77-V101 CarbonylContact O-C 3.5Å; I77-V101 WeakPolarHBondContact O-CA 3.49Å; M80-V101 HydrophobicContact CG-CB 3.98Å; M80-V101 HydrophobicContact SD-CB 3.65Å; M80-V101 HydrophobicContact SD-CG1 3.61Å; A88-V101 HydrophobicContact CB-CG1 4.25Å; V99-V101 HydrophobicContact CG1-CG1 4.15Å; V101-A128 HydrophobicContact CG2-CB 4.25Å; V101-Q132 HydrophobicContact CG2-CB 4.47Å; V101-L135 HydrophobicContact CG1-CD1 3.87Å; V101-V144 HydrophobicContact CG1-CG1 4.48Å; V101-V144 HydrophobicContact CG2-CG1 4.41Å; V101-T145 PolarHBondContact N-O 2.85Å; V101-A146 HydrophobicContact CG2-CB 4.4Å; V101-A146 CarbonylContact O-C 3.58Å; V101-A146 WeakPolarHBondContact O-CA 3.36Å; V101-Y147 PolarHBondContact O-N 3.08Å
102	H	98.6	Very high	98.1	Very high	6 Å²	6	32 Å²	32	3%	0.028	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	134	-178	163.6	-97.6	0	0	0	111.1	L76 I77 S78 G79 Y147 G149	L76-H102 HydrophobicContact CD1-CB 4.02Å; I77-H102 PolarHBondContact O-N 2.84Å; S78-H102 CarbonylContact C-O 3.58Å; S78-H102 PolarHBondContact OG-ND1 2.82Å; G79-H102 PolarHBondContact N-O 2.81Å; H102-Y147 VanDerWaalsContact CA-O 3.23Å; H102-Y147 WeakPolarHBondContact CA-O 3.14Å; H102-Y147 HydrophobicContact CB-CD1 4.48Å; H102-Y147 AromaticContact CD2-CD1 3.57Å; H102-Y147 PolarHBondContact CD2-O 3.22Å; H102-Y147 VanDerWaalsContact CD2-O 3.23Å; H102-G149 PolarHBondContact NE2-O 3.39Å
103	D	98.3	Very high	98	Very high	12 Å²	12	32 Å²	32	6%	0.064	15%	0.151	C	C	.	.			trans	-158.6	141.9	169	-156	-36.1	0	0	0	109.2	M80 G105 N126 R127 A128 Y147	M80-D103 WeakPolarHBondContact CA-OD2 3.35Å; M80-D103 HydrophobicContact CB-CB 3.96Å; M80-D103 HydrophobicContact CG-CB 4.22Å; M80-D103 PolarHBondContact N-OD2 3.14Å; D103-G105 PolarHBondContact OD1-N 3.41Å; D103-N126 PolarHBondContact O-ND2 2.76Å; D103-R127 HydrophobicContact CB-CB 4.33Å; D103-R127 IonicContact OD1-CZ 2.83Å; D103-R127 IonicContact OD1-NE 2.76Å; D103-R127 IonicContact OD1-NH2 3.91Å; D103-R127 PolarHBondContact OD1-NH2 2.94Å; D103-R127 IonicContact OD2-CZ 3.73Å; D103-R127 IonicContact OD2-NE 3.19Å; D103-R127 PolarHBondContact OD2-NE 2.93Å; D103-R127 IonicContact OD2-NH2 3.71Å; D103-R127 PolarHBondContact OD2-NH2 2.59Å; D103-A128 HydrophobicContact CB-CB 3.93Å; D103-Y147 PolarHBondContact N-O 3.05Å
104	Q	96.6	Very high	98	Very high	123 Å²	123	32 Å²	32	58%	0.575	15%	0.151	S	C	*	.			trans	-102.9	-12.4	175.4	-65.3	-174.4	-10.6	0	0	112.6	G149	Q104-G149 PolarHBondContact NE2-O 3.31Å; Q104-G149 VanDerWaalsContact NE2-O 3.12Å
105	G	96.1	Very high	98.1	Very high	22 Å²	22	32 Å²	32	23%	0.227	15%	0.151	C	C	.	.	S	Bend	trans	-92.7	154.3	-179.1	0	0	0	0	0	113.5	D103 R127	D103-G105 PolarHBondContact OD1-N 3.41Å; G105-R127 PolarHBondContact O-N 3.47Å
106	D	98.1	Very high	98.1	Very high	87 Å²	87	32 Å²	32	47%	0.465	15%	0.151	S	C	.	.	B	Isolated β-bridge	trans	-82.3	159.4	173.8	-62.2	-31.1	0	0	0	111.5	E108 K125 R127	D106-E108 PolarHBondContact O-N 2.9Å; D106-K125 CarbonylContact C-O 3.53Å; D106-K125 WeakPolarHBondContact CA-O 3.43Å; D106-R127 PolarHBondContact O-NH1 3.28Å; D106-R127 VanDerWaalsContact O-NH1 3.12Å
107	A	98.3	Very high	98.2	Very high	5 Å²	5	32 Å²	32	4%	0.041	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-70.1	122	174.7	0	0	0	0	0	110.9	L118 D122 L123 G124 K125 R127	A107-L118 HydrophobicContact CB-CD1 3.89Å; A107-L118 HydrophobicContact CB-CD2 3.83Å; A107-L118 HydrophobicContact CB-CG 4.48Å; A107-D122 WeakPolarHBondContact CB-O 3.36Å; A107-L123 WeakPolarHBondContact O-CA 3.45Å; A107-G124 PolarHBondContact O-N 3.26Å; A107-K125 PolarHBondContact N-O 3.3Å; A107-R127 HydrophobicContact CB-CG 4.05Å
108	E	97.5	Very high	98.2	Very high	95 Å²	95	25.3 Å²	25.3	44%	0.444	13%	0.125	S	C	.	.			trans	-113	162.2	177.1	-64.6	175.7	174.5	0	0	111.2	D106 R110 D111 L112 L123	D106-E108 PolarHBondContact O-N 2.9Å; E108-R110 HydrophobicContact CB-CG 4.18Å; E108-R110 PolarHBondContact O-N 2.93Å; E108-R110 WeakPolarHBondContact OE2-CD 3.41Å; E108-D111 PolarHBondContact N-OD2 3.01Å; E108-D111 WeakPolarHBondContact O-CB 3.43Å; E108-D111 PolarHBondContact O-N 2.99Å; E108-L112 VanDerWaalsContact O-CD1 3.31Å; E108-L112 WeakPolarHBondContact O-CD1 3.37Å; E108-L123 VanDerWaalsContact C-CD2 3.43Å
109	W	97.9	Very high	98.1	Very high	80 Å²	80	25.9 Å²	25.9	30%	0.303	12%	0.124	S	C	.	.	G	3₁₀ helix	trans	-50.1	-44	178	-81.5	115.4	0	0	0	113.7	D111 L112 E120 L123 C450	W109-D111 PolarHBondContact O-N 3.31Å; W109-L112 PolarHBondContact O-N 3.39Å; W109-E120 HydrophobicContact CH2-CG 4.23Å; W109-E120 HydrophobicContact CZ3-CG 3.93Å; W109-L123 HydrophobicContact CD2-CD1 3.76Å; W109-L123 HydrophobicContact CD2-CD2 4.4Å; W109-L123 VanDerWaalsContact CE2-CD1 3.45Å; W109-L123 HydrophobicContact CE3-CD1 4.01Å; W109-L123 HydrophobicContact CG-CD1 4.45Å; W109-L123 HydrophobicContact CG-CD2 4.48Å; W109-L123 HydrophobicContact CH2-CD1 3.74Å; W109-L123 HydrophobicContact CZ2-CD1 3.45Å; W109-L123 VanDerWaalsContact CZ2-CD1 3.45Å; W109-L123 HydrophobicContact CZ3-CD1 4.01Å; W109-C450 VanDerWaalsContact CE3-C 3.5Å
110	R	96.4	Very high	98.1	Very high	63 Å²	63	30.3 Å²	30.3	24%	0.238	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-62.8	-26.8	179.9	71.7	-172	-54.9	173.3	7.3	113.7	E108 L112 S113 A391 D453	E108-R110 HydrophobicContact CB-CG 4.18Å; E108-R110 PolarHBondContact O-N 2.93Å; E108-R110 WeakPolarHBondContact OE2-CD 3.41Å; R110-L112 VanDerWaalsContact C-N 3.27Å; R110-L112 PolarHBondContact O-N 2.76Å; R110-S113 WeakPolarHBondContact O-CB 3.49Å; R110-S113 PolarHBondContact O-N 2.78Å; R110-S113 PolarHBondContact O-OG 3.1Å; R110-A391 PolarHBondContact NH2-O 3.19Å; R110-D453 HydrophobicContact CB-CB 4.44Å
111	D	98.1	Very high	98	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-71.2	-28.4	-178.3	-61.5	-37.7	0	0	0	110.4	R81 E108 W109 S113 S114 Q115 L118 R127	R81-D111 WeakPolarHBondContact CD-OD1 3.15Å; R81-D111 WeakPolarHBondContact CG-OD1 3.38Å; R81-D111 IonicContact CZ-OD1 2.67Å; R81-D111 IonicContact NE-OD1 3.11Å; R81-D111 PolarHBondContact NE-OD1 3.3Å; R81-D111 VanDerWaalsContact NE-OD1 3.14Å; R81-D111 IonicContact NH2-OD1 3.95Å; E108-D111 PolarHBondContact N-OD2 3.01Å; E108-D111 WeakPolarHBondContact O-CB 3.43Å; E108-D111 PolarHBondContact O-N 2.99Å; W109-D111 PolarHBondContact O-N 3.31Å; D111-S113 PolarHBondContact O-N 3.31Å; D111-S114 PolarHBondContact O-N 3.17Å; D111-Q115 WeakPolarHBondContact O-CB 3.1Å; D111-Q115 PolarHBondContact O-N 3.36Å; D111-L118 HydrophobicContact CB-CD1 3.65Å; D111-R127 IonicContact OD1-NH1 3.79Å; D111-R127 PolarHBondContact OD1-NH1 3.39Å; D111-R127 WeakPolarHBondContact OD2-CD 3.12Å; D111-R127 IonicContact OD2-CZ 2.87Å; D111-R127 IonicContact OD2-NE 2.82Å; D111-R127 IonicContact OD2-NH1 3.39Å; D111-R127 PolarHBondContact OD2-NH1 3.17Å
112	L	98.6	Very high	98	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-70.4	-7.8	178.4	-74.7	76.4	0	0	0	113.6	E108 W109 R110 S114 L118 E120 L123 R451	E108-L112 VanDerWaalsContact O-CD1 3.31Å; E108-L112 WeakPolarHBondContact O-CD1 3.37Å; W109-L112 PolarHBondContact O-N 3.39Å; R110-L112 VanDerWaalsContact C-N 3.27Å; R110-L112 PolarHBondContact O-N 2.76Å; L112-S114 PolarHBondContact O-N 2.8Å; L112-L118 HydrophobicContact CD1-CB 4.28Å; L112-L118 HydrophobicContact CD1-CD1 4.44Å; L112-L118 HydrophobicContact CG-CB 4.21Å; L112-E120 HydrophobicContact CD2-CG 3.69Å; L112-L123 HydrophobicContact CD1-CD2 3.73Å; L112-R451 CarbonylContact C-O 3.58Å; L112-R451 VanDerWaalsContact C-O 3.32Å; L112-R451 HydrophobicContact CB-CB 3.68Å; L112-R451 HydrophobicContact CD2-CB 4.1Å
113	S	98.6	Very high	98	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-68	-18	176.4	-62.7	0	0	0	0	112.5	R110 D111 R451 G454	R110-S113 WeakPolarHBondContact O-CB 3.49Å; R110-S113 PolarHBondContact O-N 2.78Å; R110-S113 PolarHBondContact O-OG 3.1Å; D111-S113 PolarHBondContact O-N 3.31Å; S113-R451 WeakPolarHBondContact CA-O 3.36Å; S113-R451 WeakPolarHBondContact CB-O 3.44Å; S113-R451 PolarHBondContact N-O 3.38Å; S113-R451 PolarHBondContact OG-O 3.27Å; S113-G454 WeakPolarHBondContact OG-CA 3.47Å; S113-G454 PolarHBondContact OG-N 3.05Å
114	S	98.7	Very high	98	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.014	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-149.3	-18.2	-178.6	68.8	0	0	0	0	114.5	G82 D111 L112 F116 D393 N398	G82-S114 WeakPolarHBondContact CA-OG 3.37Å; D111-S114 PolarHBondContact O-N 3.17Å; L112-S114 PolarHBondContact O-N 2.8Å; S114-F116 PolarHBondContact O-N 3.13Å; S114-F116 VanDerWaalsContact O-N 3.16Å; S114-D393 VanDerWaalsContact OG-CG 3.24Å; S114-D393 PolarHBondContact OG-OD1 2.81Å; S114-D393 PolarHBondContact OG-OD2 3.12Å; S114-N398 WeakPolarHBondContact CB-ND2 3.42Å; S114-N398 PolarHBondContact OG-ND2 2.94Å
115	Q	98.6	Very high	98.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.201	C	C	.	.			trans	-83.2	91.9	179.3	-145.5	-66.4	30.5	0	0	110.5	V85 D111 Y117 L118 S131	V85-Q115 HydrophobicContact CB-CG 4.19Å; V85-Q115 HydrophobicContact CG1-CB 4.41Å; V85-Q115 HydrophobicContact CG1-CG 3.7Å; D111-Q115 WeakPolarHBondContact O-CB 3.1Å; D111-Q115 PolarHBondContact O-N 3.36Å; Q115-Y117 PolarHBondContact O-N 3.38Å; Q115-Y117 VanDerWaalsContact O-N 3.13Å; Q115-Y117 VanDerWaalsContact OE1-CA 3.27Å; Q115-L118 HydrophobicContact CB-CB 4.43Å; Q115-L118 HydrophobicContact CB-CD1 3.92Å; Q115-L118 HydrophobicContact CB-CG 4.13Å; Q115-L118 HydrophobicContact CG-CD1 3.93Å; Q115-L118 HydrophobicContact CG-CG 3.96Å; Q115-L118 PolarHBondContact O-N 3.36Å; Q115-S131 PolarHBondContact NE2-OG 2.9Å
116	F	98.7	Very high	98.2	Very high	1 Å²	1	39.5 Å²	39.5	0%	0.004	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-1.4	-173.6	52	-97.3	0	0	0	116.2	V85 E86 K89 S114 R119 K486 M490 F517 M539	V85-F116 HydrophobicContact CB-CZ 4.44Å; V85-F116 HydrophobicContact CG1-CD1 4.17Å; V85-F116 HydrophobicContact CG1-CE1 3.7Å; V85-F116 HydrophobicContact CG1-CZ 3.9Å; V85-F116 HydrophobicContact CG2-CE2 4.06Å; V85-F116 HydrophobicContact CG2-CZ 3.96Å; E86-F116 WeakPolarHBondContact OE2-CE1 3.41Å; K89-F116 HydrophobicContact CB-CZ 4.13Å; K89-F116 HydrophobicContact CD-CE2 4.28Å; K89-F116 HydrophobicContact CD-CZ 3.89Å; K89-F116 HydrophobicContact CG-CZ 4.48Å; S114-F116 PolarHBondContact O-N 3.13Å; S114-F116 VanDerWaalsContact O-N 3.16Å; F116-R119 PolarHBondContact O-NH1 3.27Å; F116-K486 HydrophobicContact CB-CD 4.5Å; F116-K486 HydrophobicContact CB-CG 3.88Å; F116-K486 HydrophobicContact CD1-CD 3.74Å; F116-K486 HydrophobicContact CD1-CG 3.9Å; F116-K486 HydrophobicContact CE1-CD 4.31Å; F116-K486 HydrophobicContact CG-CD 4.29Å; F116-K486 HydrophobicContact CG-CG 3.91Å; F116-M490 HydrophobicContact CB-CE 4.33Å; F116-M490 HydrophobicContact CB-CG 4.24Å; F116-M490 HydrophobicContact CB-SD 3.88Å; F116-F517 HydrophobicContact CD2-CE2 4.07Å; F116-F517 AromaticContact CE2-CE2 3.99Å; F116-F517 HydrophobicContact CE2-CE2 3.99Å; F116-M539 HydrophobicContact CB-SD 3.95Å; F116-M539 HydrophobicContact CD2-CE 4.43Å; F116-M539 WeakPolarHBondContact O-CG 2.9Å
117	Y	98.6	Very high	98.2	Very high	5 Å²	5	36.1 Å²	36.1	2%	0.02	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109	-15.2	173.7	-73.3	-23.4	0	0	0	114.8	V85 Q115 R134 L135 L138 M539	V85-Y117 HydrophobicContact CG2-CD2 3.68Å; V85-Y117 HydrophobicContact CG2-CE2 4.39Å; V85-Y117 HydrophobicContact CG2-CG 4.38Å; Q115-Y117 PolarHBondContact O-N 3.38Å; Q115-Y117 VanDerWaalsContact O-N 3.13Å; Q115-Y117 VanDerWaalsContact OE1-CA 3.27Å; Y117-R134 HydrophobicContact CD1-CB 3.92Å; Y117-R134 HydrophobicContact CD1-CG 4.48Å; Y117-R134 HydrophobicContact CD2-CB 3.87Å; Y117-R134 HydrophobicContact CE1-CB 4.14Å; Y117-R134 HydrophobicContact CE2-CB 4.08Å; Y117-R134 HydrophobicContact CG-CB 3.78Å; Y117-R134 WeakPolarHBondContact O-CD 3.42Å; Y117-R134 PolarHBondContact O-NE 3Å; Y117-L135 HydrophobicContact CD2-CD2 4.05Å; Y117-L135 HydrophobicContact CD2-CG 3.97Å; Y117-L135 HydrophobicContact CE2-CD2 3.71Å; Y117-L135 HydrophobicContact CE2-CG 3.93Å; Y117-L138 HydrophobicContact CE2-CD1 4.39Å; Y117-L138 WeakPolarHBondContact OH-CD2 3.39Å; Y117-L138 WeakPolarHBondContact OH-CG 3.49Å; Y117-M539 HydrophobicContact CE1-CE 4.48Å
118	L	98.6	Very high	98.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.173	C	C	.	.			trans	-69.2	144.8	164.5	-69.3	178.2	0	0	0	110.2	A107 D111 L112 Q115 D122 R127 V130	A107-L118 HydrophobicContact CB-CD1 3.89Å; A107-L118 HydrophobicContact CB-CD2 3.83Å; A107-L118 HydrophobicContact CB-CG 4.48Å; D111-L118 HydrophobicContact CB-CD1 3.65Å; L112-L118 HydrophobicContact CD1-CB 4.28Å; L112-L118 HydrophobicContact CD1-CD1 4.44Å; L112-L118 HydrophobicContact CG-CB 4.21Å; Q115-L118 HydrophobicContact CB-CB 4.43Å; Q115-L118 HydrophobicContact CB-CD1 3.92Å; Q115-L118 HydrophobicContact CB-CG 4.13Å; Q115-L118 HydrophobicContact CG-CD1 3.93Å; Q115-L118 HydrophobicContact CG-CG 3.96Å; Q115-L118 PolarHBondContact O-N 3.36Å; L118-D122 HydrophobicContact CD2-CB 4.31Å; L118-R127 HydrophobicContact CD1-CG 4.31Å; L118-V130 HydrophobicContact CD2-CG2 3.37Å
119	R	97.9	Very high	98.3	Very high	34 Å²	34	36.6 Å²	36.6	13%	0.128	18%	0.177	C	C	.	.			trans	-119.2	160.4	170.5	-55.6	-64.7	175.8	-112.6	10.8	108.7	F116 E121 D122 Q538	F116-R119 PolarHBondContact O-NH1 3.27Å; R119-E121 HydrophobicContact CB-CG 3.72Å; R119-E121 PolarHBondContact O-N 3.2Å; R119-D122 WeakPolarHBondContact CB-OD2 3.49Å; R119-D122 PolarHBondContact N-OD2 3.39Å; R119-D122 WeakPolarHBondContact O-CB 3.43Å; R119-D122 PolarHBondContact O-N 3.35Å; R119-Q538 WeakPolarHBondContact CD-O 3.21Å; R119-Q538 PolarHBondContact NE-O 3Å
120	E	97.4	Very high	98.3	Very high	94 Å²	94	33.6 Å²	33.6	44%	0.439	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-60.5	-30.2	177.4	-66.6	-177.2	-165.7	0	0	111.8	W109 L112 D122 L123	W109-E120 HydrophobicContact CH2-CG 4.23Å; W109-E120 HydrophobicContact CZ3-CG 3.93Å; L112-E120 HydrophobicContact CD2-CG 3.69Å; E120-D122 PolarHBondContact O-N 2.9Å; E120-L123 WeakPolarHBondContact O-CD1 3.37Å; E120-L123 VanDerWaalsContact O-CG 3.31Å; E120-L123 WeakPolarHBondContact O-CG 3.47Å; E120-L123 PolarHBondContact O-N 3.32Å
121	E	97.8	Very high	98.4	Very high	144 Å²	144	30.6 Å²	30.6	67%	0.673	16%	0.156	S	C	*	.	G	3₁₀ helix	trans	-70.7	-6.8	173.4	62.3	179.9	-157.3	0	0	114.8	R119 K125	R119-E121 HydrophobicContact CB-CG 3.72Å; R119-E121 PolarHBondContact O-N 3.2Å; E121-K125 VanDerWaalsContact O-CE 3.28Å; E121-K125 WeakPolarHBondContact O-CE 3.37Å; E121-K125 PolarHBondContact O-NZ 3.45Å
122	D	98.3	Very high	98.4	Very high	6 Å²	6	33.3 Å²	33.3	3%	0.032	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-98.3	-4.8	178.2	-63.8	-42.3	0	0	0	113.4	A107 L118 R119 E120 G124 K125 V130	A107-D122 WeakPolarHBondContact CB-O 3.36Å; L118-D122 HydrophobicContact CD2-CB 4.31Å; R119-D122 WeakPolarHBondContact CB-OD2 3.49Å; R119-D122 PolarHBondContact N-OD2 3.39Å; R119-D122 WeakPolarHBondContact O-CB 3.43Å; R119-D122 PolarHBondContact O-N 3.35Å; E120-D122 PolarHBondContact O-N 2.9Å; D122-G124 PolarHBondContact O-N 3.48Å; D122-K125 HydrophobicContact CB-CD 4.48Å; D122-K125 WeakPolarHBondContact O-CB 3.06Å; D122-K125 PolarHBondContact O-N 2.92Å; D122-K125 IonicContact OD1-NZ 2.85Å; D122-K125 PolarHBondContact OD1-NZ 3.44Å; D122-V130 HydrophobicContact CB-CB 4.43Å; D122-V130 HydrophobicContact CB-CG1 4.31Å; D122-V130 HydrophobicContact CB-CG2 4.38Å
123	L	98.3	Very high	98.4	Very high	52 Å²	52	35.9 Å²	35.9	27%	0.272	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	131.1	177	-69.4	171.8	0	0	0	111.3	A107 E108 W109 L112 E120 K125	A107-L123 WeakPolarHBondContact O-CA 3.45Å; E108-L123 VanDerWaalsContact C-CD2 3.43Å; W109-L123 HydrophobicContact CD2-CD1 3.76Å; W109-L123 HydrophobicContact CD2-CD2 4.4Å; W109-L123 VanDerWaalsContact CE2-CD1 3.45Å; W109-L123 HydrophobicContact CE3-CD1 4.01Å; W109-L123 HydrophobicContact CG-CD1 4.45Å; W109-L123 HydrophobicContact CG-CD2 4.48Å; W109-L123 HydrophobicContact CH2-CD1 3.74Å; W109-L123 HydrophobicContact CZ2-CD1 3.45Å; W109-L123 VanDerWaalsContact CZ2-CD1 3.45Å; W109-L123 HydrophobicContact CZ3-CD1 4.01Å; L112-L123 HydrophobicContact CD1-CD2 3.73Å; E120-L123 WeakPolarHBondContact O-CD1 3.37Å; E120-L123 VanDerWaalsContact O-CG 3.31Å; E120-L123 WeakPolarHBondContact O-CG 3.47Å; E120-L123 PolarHBondContact O-N 3.32Å; L123-K125 VanDerWaalsContact C-N 3.33Å
124	G	98.1	Very high	98.4	Very high	50 Å²	50	38.7 Å²	38.7	52%	0.515	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	81	1.4	-176.5	0	0	0	0	0	115.6	A107 D122	A107-G124 PolarHBondContact O-N 3.26Å; D122-G124 PolarHBondContact O-N 3.48Å
125	K	98.6	Very high	98.4	Very high	94 Å²	94	38.6 Å²	38.6	41%	0.409	20%	0.195	S	C	.	.	S	Bend	trans	-96.5	157.3	169.9	-56.1	177	-161.7	155.1	0	110.5	D106 A107 E121 D122 L123 R127 V130	D106-K125 CarbonylContact C-O 3.53Å; D106-K125 WeakPolarHBondContact CA-O 3.43Å; A107-K125 PolarHBondContact N-O 3.3Å; E121-K125 VanDerWaalsContact O-CE 3.28Å; E121-K125 WeakPolarHBondContact O-CE 3.37Å; E121-K125 PolarHBondContact O-NZ 3.45Å; D122-K125 HydrophobicContact CB-CD 4.48Å; D122-K125 WeakPolarHBondContact O-CB 3.06Å; D122-K125 PolarHBondContact O-N 2.92Å; D122-K125 IonicContact OD1-NZ 2.85Å; D122-K125 PolarHBondContact OD1-NZ 3.44Å; L123-K125 VanDerWaalsContact C-N 3.33Å; K125-R127 PolarHBondContact O-N 3.13Å; K125-V130 HydrophobicContact CB-CG1 3.57Å; K125-V130 HydrophobicContact CD-CG1 3.69Å; K125-V130 HydrophobicContact CG-CG1 4.3Å
126	N	98.6	Very high	98.4	Very high	17 Å²	17	40 Å²	40	9%	0.091	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-62.4	129.7	176	-179.7	-84.8	0	0	0	111.7	D103 A128 E129 V130	D103-N126 PolarHBondContact O-ND2 2.76Å; N126-A128 PolarHBondContact O-N 2.95Å; N126-A128 WeakPolarHBondContact OD1-CB 3.34Å; N126-A128 PolarHBondContact OD1-N 3.26Å; N126-E129 HydrophobicContact CB-CB 4.33Å; N126-E129 HydrophobicContact CB-CG 4.19Å; N126-E129 PolarHBondContact O-N 3.47Å; N126-E129 PolarHBondContact OD1-N 3.13Å; N126-V130 WeakPolarHBondContact O-CG2 3.4Å; N126-V130 PolarHBondContact O-N 2.82Å
127	R	98.7	Very high	98.4	Very high	16 Å²	16	44.4 Å²	44.4	6%	0.06	23%	0.228	C	C	.	.	H	α-helix	trans	-63.5	-36.6	-174.9	-68.2	-174.5	-69.6	-114.2	-13.3	114.1	M80 D103 G105 D106 A107 D111 L118 K125 V130 S131	M80-R127 HydrophobicContact CB-CB 3.93Å; D103-R127 HydrophobicContact CB-CB 4.33Å; D103-R127 IonicContact OD1-CZ 2.83Å; D103-R127 IonicContact OD1-NE 2.76Å; D103-R127 IonicContact OD1-NH2 3.91Å; D103-R127 PolarHBondContact OD1-NH2 2.94Å; D103-R127 IonicContact OD2-CZ 3.73Å; D103-R127 IonicContact OD2-NE 3.19Å; D103-R127 PolarHBondContact OD2-NE 2.93Å; D103-R127 IonicContact OD2-NH2 3.71Å; D103-R127 PolarHBondContact OD2-NH2 2.59Å; G105-R127 PolarHBondContact O-N 3.47Å; D106-R127 PolarHBondContact O-NH1 3.28Å; D106-R127 VanDerWaalsContact O-NH1 3.12Å; A107-R127 HydrophobicContact CB-CG 4.05Å; D111-R127 IonicContact OD1-NH1 3.79Å; D111-R127 PolarHBondContact OD1-NH1 3.39Å; D111-R127 WeakPolarHBondContact OD2-CD 3.12Å; D111-R127 IonicContact OD2-CZ 2.87Å; D111-R127 IonicContact OD2-NE 2.82Å; D111-R127 IonicContact OD2-NH1 3.39Å; D111-R127 PolarHBondContact OD2-NH1 3.17Å; L118-R127 HydrophobicContact CD1-CG 4.31Å; K125-R127 PolarHBondContact O-N 3.13Å; R127-V130 WeakPolarHBondContact O-CG2 3.49Å; R127-S131 VanDerWaalsContact O-CB 3.23Å; R127-S131 WeakPolarHBondContact O-CB 3.38Å; R127-S131 PolarHBondContact O-N 2.7Å; R127-S131 PolarHBondContact O-OG 3.16Å
128	A	98.6	Very high	98.4	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-70.1	-44.3	-179.2	0	0	0	0	0	111.3	M80 V101 D103 N126 S131 Q132 A146	M80-A128 HydrophobicContact CG-CB 4.14Å; V101-A128 HydrophobicContact CG2-CB 4.25Å; D103-A128 HydrophobicContact CB-CB 3.93Å; N126-A128 PolarHBondContact O-N 2.95Å; N126-A128 WeakPolarHBondContact OD1-CB 3.34Å; N126-A128 PolarHBondContact OD1-N 3.26Å; A128-S131 PolarHBondContact O-N 3.34Å; A128-Q132 WeakPolarHBondContact O-CB 3.42Å; A128-Q132 PolarHBondContact O-N 2.83Å; A128-A146 HydrophobicContact CB-CB 4.31Å
129	E	98.7	Very high	98.3	Very high	111 Å²	111	45.3 Å²	45.3	52%	0.519	23%	0.233	S	C	.	.	H	α-helix	trans	-63.5	-45.8	-179.4	-66.2	-178	162.8	0	0	112.4	N126 S131 P133 A146 T148	N126-E129 HydrophobicContact CB-CB 4.33Å; N126-E129 HydrophobicContact CB-CG 4.19Å; N126-E129 PolarHBondContact O-N 3.47Å; N126-E129 PolarHBondContact OD1-N 3.13Å; E129-S131 VanDerWaalsContact C-N 3.34Å; E129-S131 PolarHBondContact O-N 3.28Å; E129-P133 VanDerWaalsContact O-CD 3.32Å; E129-P133 WeakPolarHBondContact O-CD 3.29Å; E129-A146 HydrophobicContact CG-CB 4.29Å; E129-T148 HydrophobicContact CG-CG2 3.97Å
130	V	98.5	Very high	98.2	Very high	17 Å²	17	50 Å²	50	10%	0.103	26%	0.26	C	S	.	.	H	α-helix	trans	-72.2	-27.6	-178.7	-60.1	0	0	0	0	113.5	L118 D122 K125 N126 R127 R134	L118-V130 HydrophobicContact CD2-CG2 3.37Å; D122-V130 HydrophobicContact CB-CB 4.43Å; D122-V130 HydrophobicContact CB-CG1 4.31Å; D122-V130 HydrophobicContact CB-CG2 4.38Å; K125-V130 HydrophobicContact CB-CG1 3.57Å; K125-V130 HydrophobicContact CD-CG1 3.69Å; K125-V130 HydrophobicContact CG-CG1 4.3Å; N126-V130 WeakPolarHBondContact O-CG2 3.4Å; N126-V130 PolarHBondContact O-N 2.82Å; R127-V130 WeakPolarHBondContact O-CG2 3.49Å; V130-R134 PolarHBondContact O-NH1 2.71Å
131	S	98.4	Very high	98.2	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-83.1	-30.8	-179.3	-56.7	0	0	0	0	112.7	Q115 R127 A128 E129 R134 L135	Q115-S131 PolarHBondContact NE2-OG 2.9Å; R127-S131 VanDerWaalsContact O-CB 3.23Å; R127-S131 WeakPolarHBondContact O-CB 3.38Å; R127-S131 PolarHBondContact O-N 2.7Å; R127-S131 PolarHBondContact O-OG 3.16Å; A128-S131 PolarHBondContact O-N 3.34Å; E129-S131 VanDerWaalsContact C-N 3.34Å; E129-S131 PolarHBondContact O-N 3.28Å; S131-R134 PolarHBondContact O-N 2.99Å; S131-L135 WeakPolarHBondContact O-CG 3.27Å; S131-L135 PolarHBondContact O-N 3.3Å
132	Q	98.7	Very high	98.2	Very high	56 Å²	56	44.9 Å²	44.9	26%	0.262	23%	0.232	S	C	.	.	H	α-helix	trans	-48.7	-50.4	-177.4	-177.7	-79	-33.4	0	0	114.3	V101 A128 R134 L135 A136 V144 A146	V101-Q132 HydrophobicContact CG2-CB 4.47Å; A128-Q132 WeakPolarHBondContact O-CB 3.42Å; A128-Q132 PolarHBondContact O-N 2.83Å; Q132-R134 VanDerWaalsContact C-N 3.34Å; Q132-R134 PolarHBondContact O-N 3.17Å; Q132-L135 PolarHBondContact O-N 3.35Å; Q132-A136 WeakPolarHBondContact O-CB 3.34Å; Q132-A136 PolarHBondContact O-N 2.95Å; Q132-V144 HydrophobicContact CG-CG1 4.21Å; Q132-V144 PolarHBondContact NE2-O 3.23Å; Q132-A146 HydrophobicContact CB-CB 4.09Å; Q132-A146 HydrophobicContact CG-CB 4.28Å
133	P	98.5	Very high	98.2	Very high	55 Å²	55	48.2 Å²	48.2	36%	0.357	25%	0.254	S	S	.	.	H	α-helix	trans	-64	-39.4	-176.7	22	-33	0	0	0	112.3	E129 A136 E137	E129-P133 VanDerWaalsContact O-CD 3.32Å; E129-P133 WeakPolarHBondContact O-CD 3.29Å; P133-A136 PolarHBondContact O-N 3.19Å; P133-E137 WeakPolarHBondContact O-CG 3.41Å; P133-E137 PolarHBondContact O-N 2.67Å
134	R	98.4	Very high	98.2	Very high	58 Å²	58	46.1 Å²	46.1	22%	0.219	24%	0.244	C	C	.	.	H	α-helix	trans	-70.6	-33.8	179.6	-67.1	168.4	-178.5	71.1	-1.6	112.4	Y117 V130 S131 Q132	Y117-R134 HydrophobicContact CD1-CB 3.92Å; Y117-R134 HydrophobicContact CD1-CG 4.48Å; Y117-R134 HydrophobicContact CD2-CB 3.87Å; Y117-R134 HydrophobicContact CE1-CB 4.14Å; Y117-R134 HydrophobicContact CE2-CB 4.08Å; Y117-R134 HydrophobicContact CG-CB 3.78Å; Y117-R134 WeakPolarHBondContact O-CD 3.42Å; Y117-R134 PolarHBondContact O-NE 3Å; V130-R134 PolarHBondContact O-NH1 2.71Å; S131-R134 PolarHBondContact O-N 2.99Å; Q132-R134 VanDerWaalsContact C-N 3.34Å; Q132-R134 PolarHBondContact O-N 3.17Å
135	L	98.8	Very high	98.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-68.8	-41.1	173.1	-76.7	166.9	0	0	0	111.4	M80 V85 A88 I92 V101 Y117 S131 Q132 E137 L138 V144	M80-L135 HydrophobicContact CE-CD1 4.21Å; V85-L135 HydrophobicContact CG2-CD2 4.18Å; A88-L135 HydrophobicContact CB-CD1 4.22Å; A88-L135 HydrophobicContact CB-CD2 3.89Å; I92-L135 HydrophobicContact CD1-CB 3.71Å; I92-L135 HydrophobicContact CD1-CD2 3.68Å; I92-L135 HydrophobicContact CD1-CG 4.2Å; V101-L135 HydrophobicContact CG1-CD1 3.87Å; Y117-L135 HydrophobicContact CD2-CD2 4.05Å; Y117-L135 HydrophobicContact CD2-CG 3.97Å; Y117-L135 HydrophobicContact CE2-CD2 3.71Å; Y117-L135 HydrophobicContact CE2-CG 3.93Å; S131-L135 WeakPolarHBondContact O-CG 3.27Å; S131-L135 PolarHBondContact O-N 3.3Å; Q132-L135 PolarHBondContact O-N 3.35Å; L135-E137 PolarHBondContact O-N 3.25Å; L135-L138 HydrophobicContact CD2-CD1 4.14Å; L135-L138 WeakPolarHBondContact O-CB 3.48Å; L135-L138 PolarHBondContact O-N 3.46Å; L135-L138 VanDerWaalsContact O-N 3.17Å; L135-V144 HydrophobicContact CB-CG1 4.09Å; L135-V144 HydrophobicContact CB-CG2 4.46Å
136	A	98.5	Very high	98.3	Very high	29 Å²	29	44.7 Å²	44.7	24%	0.24	24%	0.237	C	C	.	.	H	α-helix	trans	-62.6	-29.6	179.2	0	0	0	0	0	113.2	Q132 P133 L138 V144	Q132-A136 WeakPolarHBondContact O-CB 3.34Å; Q132-A136 PolarHBondContact O-N 2.95Å; P133-A136 PolarHBondContact O-N 3.19Å; A136-L138 PolarHBondContact O-N 3.31Å; A136-V144 HydrophobicContact CB-CB 4.15Å; A136-V144 HydrophobicContact CB-CG2 4.26Å
137	E	98.1	Very high	98.3	Very high	94 Å²	94	46.6 Å²	46.6	44%	0.439	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-16.6	177.2	-70	174	-166.4	0	0	114.6	P133 L135 N139 R520	P133-E137 WeakPolarHBondContact O-CG 3.41Å; P133-E137 PolarHBondContact O-N 2.67Å; L135-E137 PolarHBondContact O-N 3.25Å; E137-N139 VanDerWaalsContact C-N 3.33Å; E137-N139 PolarHBondContact O-N 3.19Å; E137-R520 IonicContact OE2-CZ 2.61Å; E137-R520 IonicContact OE2-NE 3.59Å; E137-R520 PolarHBondContact OE2-NE 3.06Å; E137-R520 IonicContact OE2-NH2 3.74Å; E137-R520 PolarHBondContact OE2-NH2 3.06Å
138	L	98.1	Very high	98.2	Very high	18 Å²	18	48.8 Å²	48.8	9%	0.094	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-36.3	-176.9	-71.7	177.4	0	0	0	112.1	K89 I92 L93 Y117 L135 A136 F517	K89-L138 HydrophobicContact CB-CD1 4.07Å; K89-L138 HydrophobicContact CG-CD1 3.87Å; I92-L138 HydrophobicContact CG2-CB 3.79Å; I92-L138 HydrophobicContact CG2-CD1 4.46Å; L93-L138 HydrophobicContact CD2-CB 4.15Å; L93-L138 HydrophobicContact CD2-CD2 4.46Å; Y117-L138 HydrophobicContact CE2-CD1 4.39Å; Y117-L138 WeakPolarHBondContact OH-CD2 3.39Å; Y117-L138 WeakPolarHBondContact OH-CG 3.49Å; L135-L138 HydrophobicContact CD2-CD1 4.14Å; L135-L138 WeakPolarHBondContact O-CB 3.48Å; L135-L138 PolarHBondContact O-N 3.46Å; L135-L138 VanDerWaalsContact O-N 3.17Å; A136-L138 PolarHBondContact O-N 3.31Å; L138-F517 HydrophobicContact CD2-CB 3.86Å; L138-F517 HydrophobicContact CD2-CD2 4.22Å
139	N	97.9	Very high	98	Very high	7 Å²	7	50 Å²	50	4%	0.037	27%	0.271	C	S	.	.			trans	-153.3	106.8	-174.9	-168	-14.9	0	0	0	111.5	Y55 I92 E137 Y141 V142	Y55-N139 PolarHBondContact OH-ND2 3.39Å; I92-N139 HydrophobicContact CG2-CB 3.73Å; I92-N139 WeakPolarHBondContact O-CB 3.45Å; I92-N139 PolarHBondContact O-ND2 2.96Å; E137-N139 VanDerWaalsContact C-N 3.33Å; E137-N139 PolarHBondContact O-N 3.19Å; N139-Y141 PolarHBondContact O-N 3.34Å; N139-Y141 WeakPolarHBondContact OD1-CB 3.38Å; N139-Y141 WeakPolarHBondContact OD1-CD2 3.48Å; N139-Y141 PolarHBondContact OD1-N 3.46Å; N139-Y141 VanDerWaalsContact OD1-N 3.14Å; N139-V142 HydrophobicContact CB-CB 4.39Å; N139-V142 HydrophobicContact CB-CG2 4.15Å; N139-V142 PolarHBondContact O-N 2.85Å
140	N	95.8	Very high	97.8	Very high	131 Å²	131	47.5 Å²	47.5	70%	0.701	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-15.7	-178.6	-66.4	-21.7	0	0	0	114
141	Y	96.8	Very high	97.6	Very high	128 Å²	128	47.7 Å²	47.7	50%	0.502	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-13.5	176.1	-63.3	-72.1	0	0	0	113.3	D51 L54 Y55 N139 P143	D51-Y141 HydrophobicContact CB-CE2 3.95Å; D51-Y141 PolarHBondContact OD2-OH 3.07Å; L54-Y141 HydrophobicContact CD2-CD2 3.75Å; L54-Y141 HydrophobicContact CD2-CE2 3.76Å; Y55-Y141 HydrophobicContact CE2-CD2 4.34Å; N139-Y141 PolarHBondContact O-N 3.34Å; N139-Y141 WeakPolarHBondContact OD1-CB 3.38Å; N139-Y141 WeakPolarHBondContact OD1-CD2 3.48Å; N139-Y141 PolarHBondContact OD1-N 3.46Å; N139-Y141 VanDerWaalsContact OD1-N 3.14Å; Y141-P143 WeakPolarHBondContact O-CD 3.33Å
142	V	98.3	Very high	97.4	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.018	29%	0.29	C	S	.	.	S	Bend	trans	-114.5	101.9	-174.7	-173.7	0	0	0	0	109.7	I92 V96 V99 N139 V144	I92-V142 HydrophobicContact CG1-CG1 4.44Å; I92-V142 HydrophobicContact CG2-CB 4.19Å; I92-V142 HydrophobicContact CG2-CG1 4.41Å; I92-V142 WeakPolarHBondContact O-CG2 3.24Å; V96-V142 HydrophobicContact CG2-CG1 4.01Å; V96-V142 WeakPolarHBondContact O-CG2 2.95Å; V99-V142 HydrophobicContact CG2-CG1 3.97Å; N139-V142 HydrophobicContact CB-CB 4.39Å; N139-V142 HydrophobicContact CB-CG2 4.15Å; N139-V142 PolarHBondContact O-N 2.85Å; V142-V144 PolarHBondContact O-N 3.36Å
143	P	98.4	Very high	97	Very high	77 Å²	77	52.5 Å²	52.5	50%	0.5	30%	0.297	S	S	.	.			trans	-63.5	132.8	172.2	25.4	-32.9	0	0	0	110.5	R97 S98 V99 Y141	R97-P143 VanDerWaalsContact O-CD 3.31Å; R97-P143 WeakPolarHBondContact O-CD 3.32Å; S98-P143 WeakPolarHBondContact CA-O 3.31Å; V99-P143 PolarHBondContact N-O 2.92Å; Y141-P143 WeakPolarHBondContact O-CD 3.33Å
144	V	98.8	Very high	96.7	Very high	8 Å²	8	56 Å²	56	5%	0.048	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	128.6	176.8	-171.6	0	0	0	0	109.7	I92 V99 V101 Q132 L135 A136 V142	I92-V144 HydrophobicContact CD1-CG1 4.45Å; I92-V144 HydrophobicContact CD1-CG2 3.67Å; I92-V144 HydrophobicContact CG1-CG2 4.06Å; V99-V144 CarbonylContact O-C 3.54Å; V99-V144 VanDerWaalsContact O-CA 3.23Å; V99-V144 WeakPolarHBondContact O-CA 3.48Å; V101-V144 HydrophobicContact CG1-CG1 4.48Å; V101-V144 HydrophobicContact CG2-CG1 4.41Å; Q132-V144 HydrophobicContact CG-CG1 4.21Å; Q132-V144 PolarHBondContact NE2-O 3.23Å; L135-V144 HydrophobicContact CB-CG1 4.09Å; L135-V144 HydrophobicContact CB-CG2 4.46Å; A136-V144 HydrophobicContact CB-CB 4.15Å; A136-V144 HydrophobicContact CB-CG2 4.26Å; V142-V144 PolarHBondContact O-N 3.36Å
145	T	98.7	Very high	96.5	Very high	72 Å²	72	55 Å²	55	44%	0.442	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	143.7	177.9	51.4	0	0	0	0	111.5	V99 T100 V101	V99-T145 PolarHBondContact O-N 2.77Å; T100-T145 CarbonylContact C-O 3.52Å; T100-T145 VanDerWaalsContact CA-O 3.31Å; T100-T145 WeakPolarHBondContact CA-O 3.33Å; T100-T145 PolarHBondContact OG1-OG1 3.09Å; V101-T145 PolarHBondContact N-O 2.85Å
146	A	98.5	Very high	96.3	Very high	41 Å²	41	55.1 Å²	55.1	34%	0.339	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	144.1	172.1	0	0	0	0	0	111	V101 A128 E129 Q132	V101-A146 HydrophobicContact CG2-CB 4.4Å; V101-A146 CarbonylContact O-C 3.58Å; V101-A146 WeakPolarHBondContact O-CA 3.36Å; A128-A146 HydrophobicContact CB-CB 4.31Å; E129-A146 HydrophobicContact CG-CB 4.29Å; Q132-A146 HydrophobicContact CB-CB 4.09Å; Q132-A146 HydrophobicContact CG-CB 4.28Å
147	Y	98.3	Very high	96.1	Very high	58 Å²	58	57 Å²	57	23%	0.227	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	132.5	172.6	-176.9	-113.1	0	0	0	110.1	V101 H102 D103 G149 A150 L151 Y155	V101-Y147 PolarHBondContact O-N 3.08Å; H102-Y147 VanDerWaalsContact CA-O 3.23Å; H102-Y147 WeakPolarHBondContact CA-O 3.14Å; H102-Y147 HydrophobicContact CB-CD1 4.48Å; H102-Y147 AromaticContact CD2-CD1 3.57Å; H102-Y147 PolarHBondContact CD2-O 3.22Å; H102-Y147 VanDerWaalsContact CD2-O 3.23Å; D103-Y147 PolarHBondContact N-O 3.05Å; Y147-G149 WeakPolarHBondContact CE1-O 3.39Å; Y147-A150 WeakPolarHBondContact CE1-O 3.31Å; Y147-A150 PolarHBondContact OH-O 3.36Å; Y147-L151 HydrophobicContact CD1-CD2 4.23Å; Y147-L151 HydrophobicContact CE1-CD2 4.15Å; Y147-Y155 HydrophobicContact CD1-CD1 4.25Å; Y147-Y155 AromaticContact CD1-CE1 3.58Å; Y147-Y155 HydrophobicContact CD1-CE1 3.58Å; Y147-Y155 AromaticContact CD1-CZ 3.83Å; Y147-Y155 HydrophobicContact CD2-CE1 4.39Å; Y147-Y155 HydrophobicContact CD2-CE2 4.16Å; Y147-Y155 AromaticContact CD2-CZ 3.79Å; Y147-Y155 AromaticContact CE1-CD1 3.95Å; Y147-Y155 HydrophobicContact CE1-CD1 3.95Å; Y147-Y155 AromaticContact CE1-CE1 3.72Å; Y147-Y155 HydrophobicContact CE1-CE1 3.72Å; Y147-Y155 HydrophobicContact CE1-CE2 4.48Å; Y147-Y155 HydrophobicContact CE1-CG 4.42Å; Y147-Y155 HydrophobicContact CE2-CD2 4.48Å; Y147-Y155 AromaticContact CE2-CE2 3.96Å; Y147-Y155 HydrophobicContact CE2-CE2 3.96Å; Y147-Y155 AromaticContact CE2-CZ 3.97Å; Y147-Y155 AromaticContact CG-CE1 3.95Å; Y147-Y155 HydrophobicContact CG-CE1 3.95Å; Y147-Y155 AromaticContact CG-CZ 3.72Å
148	T	97.3	Very high	96.1	Very high	62 Å²	62	58.4 Å²	58.4	38%	0.38	32%	0.323	S	S	.	.			trans	-121.9	1.6	-176.5	54	0	0	0	0	112.9	E129	E129-T148 HydrophobicContact CG-CG2 3.97Å
149	G	95.2	Very high	96.1	Very high	25 Å²	25	58.1 Å²	58.1	26%	0.258	32%	0.321	S	S	.	.	S	Bend	trans	-81.3	-178.2	179.2	0	0	0	0	0	113.3	H102 Q104 Y147	H102-G149 PolarHBondContact NE2-O 3.39Å; Q104-G149 PolarHBondContact NE2-O 3.31Å; Q104-G149 VanDerWaalsContact NE2-O 3.12Å; Y147-G149 WeakPolarHBondContact CE1-O 3.39Å
150	A	93.9	Very high	96.1	Very high	59 Å²	59	61.6 Å²	61.6	49%	0.488	34%	0.337	S	S	.	.			trans	-71.4	145.5	173.2	0	0	0	0	0	111.5	Y147 T152	Y147-A150 WeakPolarHBondContact CE1-O 3.31Å; Y147-A150 PolarHBondContact OH-O 3.36Å; A150-T152 PolarHBondContact O-N 2.97Å
151	L	94.7	Very high	96.3	Very high	21 Å²	21	55.3 Å²	55.3	11%	0.11	30%	0.304	C	S	.	.			trans	-81.2	94.7	173.4	-64.1	-178.2	0	0	0	110	L76 Y147 Y155 L156 L164 L175	L76-L151 HydrophobicContact CD2-CD2 3.88Å; Y147-L151 HydrophobicContact CD1-CD2 4.23Å; Y147-L151 HydrophobicContact CE1-CD2 4.15Å; L151-Y155 HydrophobicContact CD2-CD1 4.22Å; L151-Y155 HydrophobicContact CD2-CE1 4.49Å; L151-L156 HydrophobicContact CB-CD2 4.41Å; L151-L156 HydrophobicContact CD2-CD2 4.39Å; L151-L164 HydrophobicContact CD1-CD2 4.36Å; L151-L175 HydrophobicContact CB-CD1 4.02Å; L151-L175 HydrophobicContact CD1-CD1 3.81Å
152	T	92.9	Very high	96.4	Very high	71 Å²	71	49.2 Å²	49.2	44%	0.436	28%	0.28	S	S	.	.			trans	-92.6	160.8	177.7	64	0	0	0	0	111.7	A150 D154 Y155 L156	A150-T152 PolarHBondContact O-N 2.97Å; T152-D154 PolarHBondContact O-N 3.1Å; T152-Y155 WeakPolarHBondContact O-CB 3.29Å; T152-Y155 PolarHBondContact O-N 3.36Å; T152-Y155 WeakPolarHBondContact OG1-CB 3.41Å; T152-Y155 PolarHBondContact OG1-N 3Å; T152-L156 WeakPolarHBondContact O-CG 3.47Å; T152-L156 PolarHBondContact O-N 2.72Å
153	E	91.3	Very high	96.4	Very high	86 Å²	86	49.1 Å²	49.1	40%	0.402	28%	0.279	S	S	.	.	H	α-helix	trans	-52.9	-50	175.5	177	172.9	173.5	0	0	112.9	Y155 L156 T157 L178 K182	E153-Y155 PolarHBondContact O-N 3.45Å; E153-L156 PolarHBondContact O-N 3.22Å; E153-T157 WeakPolarHBondContact O-CG2 3.31Å; E153-T157 PolarHBondContact O-N 3.42Å; E153-T157 PolarHBondContact O-OG1 2.62Å; E153-L178 HydrophobicContact CB-CD2 3.74Å; E153-L178 HydrophobicContact CG-CD1 3.89Å; E153-L178 HydrophobicContact CG-CD2 3.95Å; E153-L178 HydrophobicContact CG-CG 4.39Å; E153-K182 WeakPolarHBondContact OE1-CE 3.35Å; E153-K182 IonicContact OE1-NZ 3.8Å; E153-K182 PolarHBondContact OE1-NZ 2.89Å
154	D	91.9	Very high	96.4	Very high	128 Å²	128	45.4 Å²	45.4	68%	0.684	26%	0.255	S	S	*	.	H	α-helix	trans	-62	-25.1	178.3	-68.8	-22	0	0	0	112.9	T152 T157 K158	T152-D154 PolarHBondContact O-N 3.1Å; D154-T157 PolarHBondContact O-OG1 2.63Å; D154-K158 WeakPolarHBondContact O-CE 3.42Å
155	Y	94.9	Very high	96.4	Very high	36 Å²	36	45.1 Å²	45.1	14%	0.141	25%	0.253	C	S	.	.	H	α-helix	trans	-80.1	-44.2	177	-164.6	-102.8	0	0	0	111.6	Y147 L151 T152 E153 T157 K158 F159	Y147-Y155 HydrophobicContact CD1-CD1 4.25Å; Y147-Y155 AromaticContact CD1-CE1 3.58Å; Y147-Y155 HydrophobicContact CD1-CE1 3.58Å; Y147-Y155 AromaticContact CD1-CZ 3.83Å; Y147-Y155 HydrophobicContact CD2-CE1 4.39Å; Y147-Y155 HydrophobicContact CD2-CE2 4.16Å; Y147-Y155 AromaticContact CD2-CZ 3.79Å; Y147-Y155 AromaticContact CE1-CD1 3.95Å; Y147-Y155 HydrophobicContact CE1-CD1 3.95Å; Y147-Y155 AromaticContact CE1-CE1 3.72Å; Y147-Y155 HydrophobicContact CE1-CE1 3.72Å; Y147-Y155 HydrophobicContact CE1-CE2 4.48Å; Y147-Y155 HydrophobicContact CE1-CG 4.42Å; Y147-Y155 HydrophobicContact CE2-CD2 4.48Å; Y147-Y155 AromaticContact CE2-CE2 3.96Å; Y147-Y155 HydrophobicContact CE2-CE2 3.96Å; Y147-Y155 AromaticContact CE2-CZ 3.97Å; Y147-Y155 AromaticContact CG-CE1 3.95Å; Y147-Y155 HydrophobicContact CG-CE1 3.95Å; Y147-Y155 AromaticContact CG-CZ 3.72Å; L151-Y155 HydrophobicContact CD2-CD1 4.22Å; L151-Y155 HydrophobicContact CD2-CE1 4.49Å; T152-Y155 WeakPolarHBondContact O-CB 3.29Å; T152-Y155 PolarHBondContact O-N 3.36Å; T152-Y155 WeakPolarHBondContact OG1-CB 3.41Å; T152-Y155 PolarHBondContact OG1-N 3Å; E153-Y155 PolarHBondContact O-N 3.45Å; Y155-T157 VanDerWaalsContact C-N 3.35Å; Y155-T157 PolarHBondContact O-N 3.13Å; Y155-K158 HydrophobicContact CD2-CD 4.34Å; Y155-K158 WeakPolarHBondContact O-CB 3.14Å; Y155-K158 WeakPolarHBondContact O-CG 3.23Å; Y155-K158 PolarHBondContact O-N 2.99Å; Y155-F159 AromaticContact CD1-CE2 3.86Å; Y155-F159 HydrophobicContact CD1-CE2 3.86Å; Y155-F159 AromaticContact CE1-CE2 3.61Å; Y155-F159 HydrophobicContact CE1-CE2 3.61Å; Y155-F159 AromaticContact CE1-CZ 3.89Å; Y155-F159 HydrophobicContact CE1-CZ 3.89Å; Y155-F159 WeakPolarHBondContact O-CD2 3.27Å; Y155-F159 WeakPolarHBondContact O-CE2 3.46Å
156	L	94.5	Very high	95.8	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.016	24%	0.24	C	C	.	.	H	α-helix	trans	-65.4	-35.1	-177.1	-68.2	-179.5	0	0	0	113.3	L76 L151 T152 E153 K158 F159 V162 L175 L178	L76-L156 HydrophobicContact CD2-CD2 3.46Å; L76-L156 VanDerWaalsContact CD2-CD2 3.46Å; L151-L156 HydrophobicContact CB-CD2 4.41Å; L151-L156 HydrophobicContact CD2-CD2 4.39Å; T152-L156 WeakPolarHBondContact O-CG 3.47Å; T152-L156 PolarHBondContact O-N 2.72Å; E153-L156 PolarHBondContact O-N 3.22Å; L156-K158 PolarHBondContact O-N 2.82Å; L156-F159 PolarHBondContact O-N 3.14Å; L156-V162 HydrophobicContact CD2-CG1 4.25Å; L156-V162 HydrophobicContact CD2-CG2 4.06Å; L156-L175 HydrophobicContact CD1-CB 4.28Å; L156-L175 HydrophobicContact CD1-CD1 4.37Å; L156-L175 HydrophobicContact CD1-CD2 3.77Å; L156-L175 HydrophobicContact CD1-CG 4.34Å; L156-L178 HydrophobicContact CD1-CD2 4.3Å
157	T	94.8	Very high	95.6	Very high	70 Å²	70	41.7 Å²	41.7	43%	0.429	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-6.9	179.5	52.3	0	0	0	0	114.5	E153 D154 Y155 F159 K182	E153-T157 WeakPolarHBondContact O-CG2 3.31Å; E153-T157 PolarHBondContact O-N 3.42Å; E153-T157 PolarHBondContact O-OG1 2.62Å; D154-T157 PolarHBondContact O-OG1 2.63Å; Y155-T157 VanDerWaalsContact C-N 3.35Å; Y155-T157 PolarHBondContact O-N 3.13Å; T157-F159 VanDerWaalsContact C-N 3.3Å; T157-K182 HydrophobicContact CG2-CB 4.31Å; T157-K182 HydrophobicContact CG2-CG 4.19Å
158	K	96.8	Very high	95.4	Very high	122 Å²	122	42.3 Å²	42.3	53%	0.53	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-16.4	173	-59.5	175.9	-174.4	175.2	0	113.2	D154 Y155 L156	D154-K158 WeakPolarHBondContact O-CE 3.42Å; Y155-K158 HydrophobicContact CD2-CD 4.34Å; Y155-K158 WeakPolarHBondContact O-CB 3.14Å; Y155-K158 WeakPolarHBondContact O-CG 3.23Å; Y155-K158 PolarHBondContact O-N 2.99Å; L156-K158 PolarHBondContact O-N 2.82Å
159	F	98.4	Very high	95.3	Very high	13 Å²	13	40.5 Å²	40.5	6%	0.057	22%	0.222	C	C	.	.			trans	-106.7	147.4	-173.8	-56.6	-78.7	0	0	0	111.3	N74 L76 T100 Y155 L156 T157 V162	N74-F159 HydrophobicContact CB-CD1 4Å; L76-F159 HydrophobicContact CB-CB 4.33Å; L76-F159 HydrophobicContact CB-CD1 3.77Å; L76-F159 HydrophobicContact CB-CD2 3.78Å; L76-F159 HydrophobicContact CB-CE1 3.98Å; L76-F159 HydrophobicContact CB-CE2 3.98Å; L76-F159 HydrophobicContact CB-CG 3.67Å; L76-F159 HydrophobicContact CB-CZ 4.08Å; L76-F159 HydrophobicContact CD1-CE2 4.33Å; L76-F159 HydrophobicContact CD1-CZ 4.2Å; L76-F159 HydrophobicContact CD2-CD2 4.09Å; L76-F159 HydrophobicContact CD2-CE2 4.03Å; L76-F159 HydrophobicContact CG-CD2 4.47Å; L76-F159 HydrophobicContact CG-CE2 4.35Å; T100-F159 HydrophobicContact CG2-CZ 4.2Å; T100-F159 WeakPolarHBondContact OG1-CE1 3.45Å; Y155-F159 AromaticContact CD1-CE2 3.86Å; Y155-F159 HydrophobicContact CD1-CE2 3.86Å; Y155-F159 AromaticContact CE1-CE2 3.61Å; Y155-F159 HydrophobicContact CE1-CE2 3.61Å; Y155-F159 AromaticContact CE1-CZ 3.89Å; Y155-F159 HydrophobicContact CE1-CZ 3.89Å; Y155-F159 WeakPolarHBondContact O-CD2 3.27Å; Y155-F159 WeakPolarHBondContact O-CE2 3.46Å; L156-F159 PolarHBondContact O-N 3.14Å; T157-F159 VanDerWaalsContact C-N 3.3Å; F159-V162 HydrophobicContact CB-CG2 4.17Å
160	Q	98.4	Very high	95.3	Very high	79 Å²	79	43.5 Å²	43.5	37%	0.369	23%	0.232	S	C	.	.	S	Bend	trans	-84.3	-35.7	172	-77.8	64.5	50.6	0	0	110.5	N74 K185	N74-Q160 PolarHBondContact ND2-OE1 3.44Å; N74-Q160 PolarHBondContact O-N 2.87Å; Q160-K185 WeakPolarHBondContact O-CB 3.48Å; Q160-K185 WeakPolarHBondContact O-CG 3.31Å; Q160-K185 PolarHBondContact O-N 3.2Å
161	V	98.8	Very high	95.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	132.8	179.2	-168.8	0	0	0	0	109.9	N74 V75 L76 K185 V409 A412	N74-V161 PolarHBondContact O-N 3.19Å; V75-V161 WeakPolarHBondContact CA-O 3.36Å; V75-V161 HydrophobicContact CG1-CB 4.37Å; V75-V161 HydrophobicContact CG2-CB 4.33Å; L76-V161 PolarHBondContact N-O 3.49Å; V161-K185 CarbonylContact C-O 3.54Å; V161-K185 WeakPolarHBondContact CA-O 3.49Å; V161-K185 HydrophobicContact CG1-CB 4.38Å; V161-K185 HydrophobicContact CG2-CB 4.21Å; V161-V409 HydrophobicContact CB-CG1 4.47Å; V161-V409 HydrophobicContact CG1-CB 4.47Å; V161-V409 HydrophobicContact CG1-CG1 4.13Å; V161-V409 HydrophobicContact CG1-CG2 4.2Å; V161-A412 HydrophobicContact CG1-CB 4.24Å; V161-A412 HydrophobicContact CG2-CB 3.87Å
162	V	98.9	Very high	95.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.1	174.4	174	0	0	0	0	108.6	L76 L156 F159 L164 V184 K185 L186 V187	L76-V162 HydrophobicContact CB-CG2 4.29Å; L76-V162 HydrophobicContact CD2-CG1 4.19Å; L76-V162 HydrophobicContact CD2-CG2 4.3Å; L156-V162 HydrophobicContact CD2-CG1 4.25Å; L156-V162 HydrophobicContact CD2-CG2 4.06Å; F159-V162 HydrophobicContact CB-CG2 4.17Å; V162-L164 HydrophobicContact CG1-CD2 3.94Å; V162-L164 HydrophobicContact CG1-CG 4.3Å; V162-V184 HydrophobicContact CB-CG1 4.33Å; V162-V184 HydrophobicContact CG2-CG1 3.6Å; V162-K185 PolarHBondContact N-O 2.71Å; V162-L186 HydrophobicContact CB-CD1 4.5Å; V162-L186 HydrophobicContact CG1-CD1 4.33Å; V162-L186 WeakPolarHBondContact O-CA 3.29Å; V162-V187 PolarHBondContact O-N 3.47Å
163	V	98.9	Very high	95.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.9	173.7	-170.2	0	0	0	0	108.8	V75 L76 I77 S78 I87 T165 V187 V409	V75-V163 HydrophobicContact CG1-CG2 4.34Å; L76-V163 PolarHBondContact O-N 3.37Å; I77-V163 HydrophobicContact CB-CB 4.49Å; I77-V163 HydrophobicContact CG1-CB 4.2Å; I77-V163 HydrophobicContact CG1-CG2 4.14Å; I77-V163 HydrophobicContact CG2-CB 4.4Å; S78-V163 PolarHBondContact N-O 3.22Å; I87-V163 HydrophobicContact CD1-CG1 4Å; I87-V163 HydrophobicContact CG2-CG1 4.38Å; V163-T165 HydrophobicContact CG1-CG2 4.1Å; V163-V187 CarbonylContact C-O 3.49Å; V163-V187 VanDerWaalsContact CA-O 3.25Å; V163-V187 WeakPolarHBondContact CA-O 3.45Å; V163-V187 HydrophobicContact CG1-CB 4.34Å; V163-V187 HydrophobicContact CG1-CG1 4.37Å; V163-V187 HydrophobicContact CG2-CB 4.31Å; V163-V409 HydrophobicContact CG2-CG2 3.44Å; V163-V409 VanDerWaalsContact CG2-CG2 3.44Å
164	L	98.8	Very high	96	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.3	172.3	-56.3	-179.6	0	0	0	109.6	L151 V162 Q172 L175 L186 V187 V188 A189	L151-L164 HydrophobicContact CD1-CD2 4.36Å; V162-L164 HydrophobicContact CG1-CD2 3.94Å; V162-L164 HydrophobicContact CG1-CG 4.3Å; L164-Q172 HydrophobicContact CD1-CG 4.43Å; L164-L175 HydrophobicContact CD1-CB 4.15Å; L164-L175 HydrophobicContact CD1-CD1 4.41Å; L164-L175 HydrophobicContact CD2-CD1 4.22Å; L164-L186 HydrophobicContact CD1-CD1 4.02Å; L164-L186 HydrophobicContact CG-CD1 4.09Å; L164-V187 PolarHBondContact N-O 2.95Å; L164-V188 HydrophobicContact CB-CG1 4.46Å; L164-V188 HydrophobicContact CB-CG2 4.24Å; L164-V188 HydrophobicContact CD1-CG2 4.39Å; L164-V188 WeakPolarHBondContact O-CA 3.38Å; L164-A189 PolarHBondContact O-N 3.09Å
165	T	98.2	Very high	96.2	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	143.4	172.2	69.7	0	0	0	0	109.9	S78 G79 L83 I87 V163 S167 A189	S78-T165 WeakPolarHBondContact O-CA 3.32Å; S78-T165 PolarHBondContact O-N 3.18Å; S78-T165 PolarHBondContact O-OG1 2.95Å; G79-T165 WeakPolarHBondContact CA-OG1 3.23Å; G79-T165 PolarHBondContact O-OG1 2.98Å; G79-T165 VanDerWaalsContact O-OG1 3.1Å; L83-T165 HydrophobicContact CD2-CG2 4.09Å; L83-T165 HydrophobicContact CG-CG2 4.19Å; I87-T165 HydrophobicContact CD1-CG2 3.8Å; V163-T165 HydrophobicContact CG1-CG2 4.1Å; T165-S167 PolarHBondContact O-N 3.22Å; T165-A189 VanDerWaalsContact CA-O 3.31Å; T165-A189 WeakPolarHBondContact CA-O 3.32Å
166	N	87.4	Confident	96.3	Very high	31 Å²	31	36.7 Å²	36.7	17%	0.166	18%	0.181	C	C	.	.	S	Bend	trans	56.7	14.7	176.7	-62	107.4	0	0	0	115.6	D190	N166-D190 WeakPolarHBondContact CA-OD1 3.39Å; N166-D190 PolarHBondContact N-OD1 3.48Å
167	S	93.4	Very high	96.4	Very high	9 Å²	9	39.1 Å²	39.1	6%	0.063	19%	0.194	C	C	.	.			trans	-75.3	163.2	174.6	50	0	0	0	0	111.6	T165 E171 Q172 H337	T165-S167 PolarHBondContact O-N 3.22Å; S167-E171 WeakPolarHBondContact CB-OE2 3.29Å; S167-Q172 PolarHBondContact O-NE2 3.16Å; S167-Q172 WeakPolarHBondContact OG-CG 3.39Å; S167-Q172 PolarHBondContact OG-NE2 3.22Å; S167-Q172 VanDerWaalsContact OG-NE2 3.13Å; S167-H337 PolarHBondContact O-CE1 2.8Å
168	N	94.4	Very high	96.5	Very high	71 Å²	71	36.9 Å²	36.9	38%	0.38	18%	0.179	S	C	.	.			trans	-83.5	160.2	173.9	69.5	72.9	0	0	0	110.7	D170 E171 Q172	N168-D170 VanDerWaalsContact C-N 3.33Å; N168-D170 PolarHBondContact O-N 2.85Å; N168-D170 PolarHBondContact OD1-N 3.21Å; N168-E171 PolarHBondContact O-N 3.01Å; N168-E171 WeakPolarHBondContact OD1-CB 3.38Å; N168-E171 PolarHBondContact OD1-N 3.14Å; N168-Q172 WeakPolarHBondContact O-CG 3.44Å; N168-Q172 PolarHBondContact O-N 2.99Å
169	L	95.3	Very high	96.5	Very high	25 Å²	25	31.1 Å²	31.1	13%	0.131	16%	0.155	C	C	.	.	H	α-helix	trans	-65.4	-34.3	-172.9	-175.1	60.5	0	0	0	113.4	Q172 K173 M310 Q334 H337	L169-Q172 PolarHBondContact O-N 3.49Å; L169-K173 HydrophobicContact CD1-CG 4.47Å; L169-K173 HydrophobicContact CG-CD 4.35Å; L169-K173 WeakPolarHBondContact O-CG 3.27Å; L169-K173 PolarHBondContact O-N 2.96Å; L169-M310 HydrophobicContact CD1-CE 3.82Å; L169-M310 HydrophobicContact CD1-SD 3.83Å; L169-M310 HydrophobicContact CD2-CE 4.08Å; L169-M310 HydrophobicContact CG-CE 4.48Å; L169-Q334 HydrophobicContact CD2-CG 4.32Å; L169-H337 HydrophobicContact CB-CB 3.79Å; L169-H337 HydrophobicContact CD2-CB 4.32Å
170	D	95.7	Very high	96.5	Very high	87 Å²	87	31.9 Å²	31.9	47%	0.465	16%	0.158	S	C	.	.	H	α-helix	trans	-66.3	-41.7	178.4	-66.5	-26.9	0	0	0	110.8	N168 H174 Q341	N168-D170 VanDerWaalsContact C-N 3.33Å; N168-D170 PolarHBondContact O-N 2.85Å; N168-D170 PolarHBondContact OD1-N 3.21Å; D170-H174 VanDerWaalsContact O-CB 3.27Å; D170-H174 WeakPolarHBondContact O-CB 3.49Å; D170-H174 PolarHBondContact O-N 3.4Å; D170-Q341 PolarHBondContact OD2-NE2 3.37Å
171	E	94.8	Very high	96.4	Very high	58 Å²	58	32.1 Å²	32.1	27%	0.271	17%	0.168	S	C	.	.	H	α-helix	trans	-63.8	-44.2	172.2	-175.8	-179.9	-165	0	0	111.5	S167 N168 K173 H174 L175	S167-E171 WeakPolarHBondContact CB-OE2 3.29Å; N168-E171 PolarHBondContact O-N 3.01Å; N168-E171 WeakPolarHBondContact OD1-CB 3.38Å; N168-E171 PolarHBondContact OD1-N 3.14Å; E171-K173 PolarHBondContact O-N 3.05Å; E171-H174 PolarHBondContact O-N 2.98Å; E171-L175 HydrophobicContact CG-CD1 3.72Å; E171-L175 HydrophobicContact CG-CG 4.04Å; E171-L175 VanDerWaalsContact O-CB 3.32Å; E171-L175 WeakPolarHBondContact O-CB 3.32Å; E171-L175 VanDerWaalsContact O-CG 3.32Å; E171-L175 WeakPolarHBondContact O-CG 3.14Å; E171-L175 PolarHBondContact O-N 3.35Å
172	Q	97.3	Very high	96.3	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-59.4	-45.8	176.8	-70.9	177.3	6.9	0	0	111.9	L164 S167 N168 L169 G176 V188 D190 L306	L164-Q172 HydrophobicContact CD1-CG 4.43Å; S167-Q172 PolarHBondContact O-NE2 3.16Å; S167-Q172 WeakPolarHBondContact OG-CG 3.39Å; S167-Q172 PolarHBondContact OG-NE2 3.22Å; S167-Q172 VanDerWaalsContact OG-NE2 3.13Å; N168-Q172 WeakPolarHBondContact O-CG 3.44Å; N168-Q172 PolarHBondContact O-N 2.99Å; L169-Q172 PolarHBondContact O-N 3.49Å; Q172-G176 VanDerWaalsContact O-CA 3.29Å; Q172-G176 WeakPolarHBondContact O-CA 3.35Å; Q172-G176 PolarHBondContact O-N 3.5Å; Q172-V188 HydrophobicContact CG-CG1 4.07Å; Q172-D190 PolarHBondContact NE2-OD2 2.82Å; Q172-L306 HydrophobicContact CB-CD1 4.16Å
173	K	97.3	Very high	96.2	Very high	68 Å²	68	39.4 Å²	39.4	30%	0.296	21%	0.213	S	C	.	.	H	α-helix	trans	-63.6	-50.7	176.3	-73.7	176.3	175.9	-178.9	0	111.7	L169 E171 G176 D177 L306 M310	L169-K173 HydrophobicContact CD1-CG 4.47Å; L169-K173 HydrophobicContact CG-CD 4.35Å; L169-K173 WeakPolarHBondContact O-CG 3.27Å; L169-K173 PolarHBondContact O-N 2.96Å; E171-K173 PolarHBondContact O-N 3.05Å; K173-G176 PolarHBondContact O-N 2.83Å; K173-D177 WeakPolarHBondContact O-CB 3.25Å; K173-D177 PolarHBondContact O-N 3.42Å; K173-L306 HydrophobicContact CB-CD2 4.36Å; K173-L306 HydrophobicContact CG-CD2 3.59Å; K173-M310 HydrophobicContact CD-SD 4.42Å; K173-M310 WeakPolarHBondContact CE-SD 3.41Å; K173-M310 HydrophobicContact CG-SD 4.25Å
174	H	96.6	Very high	96.1	Very high	126 Å²	126	39.9 Å²	39.9	58%	0.583	22%	0.216	S	C	*	.	H	α-helix	trans	-61.2	-52.6	-178	178.1	52.9	0	0	0	112.3	D170 E171 G176 L178	D170-H174 VanDerWaalsContact O-CB 3.27Å; D170-H174 WeakPolarHBondContact O-CB 3.49Å; D170-H174 PolarHBondContact O-N 3.4Å; E171-H174 PolarHBondContact O-N 2.98Å; H174-G176 VanDerWaalsContact C-N 3.34Å; H174-L178 VanDerWaalsContact O-CB 3.27Å; H174-L178 WeakPolarHBondContact O-CB 3.41Å; H174-L178 PolarHBondContact O-N 3.12Å; H174-L178 VanDerWaalsContact O-N 3.16Å
175	L	96.8	Very high	96.1	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.031	23%	0.225	C	C	.	.	H	α-helix	trans	-71.5	-32.4	-179.3	-59.8	-170.8	0	0	0	111.7	L151 L156 L164 E171 L178 C179	L151-L175 HydrophobicContact CB-CD1 4.02Å; L151-L175 HydrophobicContact CD1-CD1 3.81Å; L156-L175 HydrophobicContact CD1-CB 4.28Å; L156-L175 HydrophobicContact CD1-CD1 4.37Å; L156-L175 HydrophobicContact CD1-CD2 3.77Å; L156-L175 HydrophobicContact CD1-CG 4.34Å; L164-L175 HydrophobicContact CD1-CB 4.15Å; L164-L175 HydrophobicContact CD1-CD1 4.41Å; L164-L175 HydrophobicContact CD2-CD1 4.22Å; E171-L175 HydrophobicContact CG-CD1 3.72Å; E171-L175 HydrophobicContact CG-CG 4.04Å; E171-L175 VanDerWaalsContact O-CB 3.32Å; E171-L175 WeakPolarHBondContact O-CB 3.32Å; E171-L175 VanDerWaalsContact O-CG 3.32Å; E171-L175 WeakPolarHBondContact O-CG 3.14Å; E171-L175 PolarHBondContact O-N 3.35Å; L175-L178 PolarHBondContact O-N 2.85Å; L175-C179 WeakPolarHBondContact O-CB 3.4Å; L175-C179 PolarHBondContact O-N 2.86Å; L175-C179 PolarHBondContact O-SG 3.42Å
176	G	96.9	Very high	96.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-68.2	-50.3	179.4	0	0	0	0	0	112.8	Q172 K173 H174 L178 C179 H180 L186	Q172-G176 VanDerWaalsContact O-CA 3.29Å; Q172-G176 WeakPolarHBondContact O-CA 3.35Å; Q172-G176 PolarHBondContact O-N 3.5Å; K173-G176 PolarHBondContact O-N 2.83Å; H174-G176 VanDerWaalsContact C-N 3.34Å; G176-L178 PolarHBondContact O-N 2.9Å; G176-C179 PolarHBondContact O-N 3.1Å; G176-H180 WeakPolarHBondContact O-CB 3.43Å; G176-H180 PolarHBondContact O-N 3.49Å; G176-L186 VanDerWaalsContact CA-CD2 3.43Å
177	D	96.4	Very high	96.7	Very high	53 Å²	53	40.2 Å²	40.2	28%	0.283	22%	0.216	S	C	.	.	H	α-helix	trans	-63.2	-34.5	175.7	-68.1	-27.9	0	0	0	111.3	K173 S181 S305 S307	K173-D177 WeakPolarHBondContact O-CB 3.25Å; K173-D177 PolarHBondContact O-N 3.42Å; D177-S181 WeakPolarHBondContact O-CB 3.5Å; D177-S181 PolarHBondContact O-N 2.59Å; D177-S305 VanDerWaalsContact OD1-CB 3.27Å; D177-S305 WeakPolarHBondContact OD1-CB 3.42Å; D177-S305 PolarHBondContact OD1-OG 3.2Å; D177-S307 WeakPolarHBondContact OD1-CB 3.41Å; D177-S307 PolarHBondContact OD1-N 2.95Å; D177-S307 PolarHBondContact OD1-OG 3.49Å; D177-S307 VanDerWaalsContact OD2-CB 3.27Å; D177-S307 WeakPolarHBondContact OD2-CB 3.3Å; D177-S307 PolarHBondContact OD2-OG 2.78Å
178	L	96.5	Very high	97	Very high	23 Å²	23	39.9 Å²	39.9	12%	0.12	21%	0.214	C	C	.	.	H	α-helix	trans	-64.2	-49.9	173.2	-178.8	62.7	0	0	0	111.9	E153 L156 H174 L175 G176 H180 S181 K182	E153-L178 HydrophobicContact CB-CD2 3.74Å; E153-L178 HydrophobicContact CG-CD1 3.89Å; E153-L178 HydrophobicContact CG-CD2 3.95Å; E153-L178 HydrophobicContact CG-CG 4.39Å; L156-L178 HydrophobicContact CD1-CD2 4.3Å; H174-L178 VanDerWaalsContact O-CB 3.27Å; H174-L178 WeakPolarHBondContact O-CB 3.41Å; H174-L178 PolarHBondContact O-N 3.12Å; H174-L178 VanDerWaalsContact O-N 3.16Å; L175-L178 PolarHBondContact O-N 2.85Å; G176-L178 PolarHBondContact O-N 2.9Å; L178-H180 VanDerWaalsContact C-N 3.31Å; L178-H180 PolarHBondContact O-N 2.91Å; L178-S181 PolarHBondContact O-N 3.29Å; L178-S181 PolarHBondContact O-OG 3.39Å; L178-K182 HydrophobicContact CD1-CG 4.15Å; L178-K182 WeakPolarHBondContact O-CG 3.31Å; L178-K182 PolarHBondContact O-N 2.96Å; L178-K182 VanDerWaalsContact O-N 3.09Å
179	C	97.9	Very high	97.2	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.014	20%	0.195	C	C	.	.	H	α-helix	trans	-56.5	-46.8	177.3	-72.8	0	0	0	0	110.9	L175 G176 S181 K182 G183 V184 L186	L175-C179 WeakPolarHBondContact O-CB 3.4Å; L175-C179 PolarHBondContact O-N 2.86Å; L175-C179 PolarHBondContact O-SG 3.42Å; G176-C179 PolarHBondContact O-N 3.1Å; C179-S181 PolarHBondContact O-N 2.9Å; C179-K182 CarbonylContact O-C 3.6Å; C179-K182 PolarHBondContact O-N 2.99Å; C179-K182 VanDerWaalsContact O-N 3.16Å; C179-G183 PolarHBondContact O-N 2.75Å; C179-V184 CarbonylContact C-O 3.55Å; C179-V184 HydrophobicContact CB-CB 4Å; C179-V184 HydrophobicContact CB-CG1 4.34Å; C179-V184 WeakPolarHBondContact CB-O 3.34Å; C179-V184 PolarHBondContact O-N 3.3Å; C179-L186 HydrophobicContact CB-CB 4.32Å
180	H	98.1	Very high	97.3	Very high	29 Å²	29	35.3 Å²	35.3	13%	0.134	19%	0.189	C	C	.	.	H	α-helix	trans	-54.1	-51.6	175.8	-167.4	92.2	0	0	0	111.7	G176 L178 K182 G183 D201 E204 F303	G176-H180 WeakPolarHBondContact O-CB 3.43Å; G176-H180 PolarHBondContact O-N 3.49Å; L178-H180 VanDerWaalsContact C-N 3.31Å; L178-H180 PolarHBondContact O-N 2.91Å; H180-K182 PolarHBondContact O-N 3.43Å; H180-G183 PolarHBondContact O-N 3.41Å; H180-D201 WeakPolarHBondContact CB-OD2 3.18Å; H180-D201 IonicContact CE1-OD1 2.92Å; H180-D201 IonicContact CE1-OD2 2.73Å; H180-D201 IonicContact CG-OD2 2.99Å; H180-D201 IonicContact ND1-OD1 3.85Å; H180-D201 PolarHBondContact ND1-OD1 2.89Å; H180-D201 IonicContact ND1-OD2 2.67Å; H180-D201 PolarHBondContact ND1-OD2 3.37Å; H180-E204 WeakPolarHBondContact NE2-CG 3.43Å; H180-E204 IonicContact NE2-OE1 2.75Å; H180-F303 PolarHBondContact CE1-O 3.48Å
181	S	96.9	Very high	97.5	Very high	83 Å²	83	31.4 Å²	31.4	58%	0.58	17%	0.169	S	C	*	.	H	α-helix	trans	-64.8	-24	-178.5	76.6	0	0	0	0	114.3	D177 L178 C179	D177-S181 WeakPolarHBondContact O-CB 3.5Å; D177-S181 PolarHBondContact O-N 2.59Å; L178-S181 PolarHBondContact O-N 3.29Å; L178-S181 PolarHBondContact O-OG 3.39Å; C179-S181 PolarHBondContact O-N 2.9Å
182	K	96.5	Very high	97.6	Very high	106 Å²	106	29 Å²	29	46%	0.461	16%	0.157	S	C	.	.	H	α-helix	trans	-100.3	-0.5	-179.6	-59.7	-62.3	179.4	164.4	0	113.4	E153 T157 L178 C179 H180 V184	E153-K182 WeakPolarHBondContact OE1-CE 3.35Å; E153-K182 IonicContact OE1-NZ 3.8Å; E153-K182 PolarHBondContact OE1-NZ 2.89Å; T157-K182 HydrophobicContact CG2-CB 4.31Å; T157-K182 HydrophobicContact CG2-CG 4.19Å; L178-K182 HydrophobicContact CD1-CG 4.15Å; L178-K182 WeakPolarHBondContact O-CG 3.31Å; L178-K182 PolarHBondContact O-N 2.96Å; L178-K182 VanDerWaalsContact O-N 3.09Å; C179-K182 CarbonylContact O-C 3.6Å; C179-K182 PolarHBondContact O-N 2.99Å; C179-K182 VanDerWaalsContact O-N 3.16Å; H180-K182 PolarHBondContact O-N 3.43Å; K182-V184 VanDerWaalsContact C-N 3.26Å; K182-V184 HydrophobicContact CB-CG2 4.26Å; K182-V184 PolarHBondContact O-N 2.73Å
183	G	95.9	Very high	97.7	Very high	47 Å²	47	29 Å²	29	49%	0.485	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	18	-176.8	0	0	0	0	0	114.4	C179 H180	C179-G183 PolarHBondContact O-N 2.75Å; H180-G183 PolarHBondContact O-N 3.41Å
184	V	98.1	Very high	97.8	Very high	10 Å²	10	25.8 Å²	25.8	6%	0.061	14%	0.143	C	C	.	.			trans	-82.2	129.9	172.5	178.7	0	0	0	0	108.2	V162 C179 K182	V162-V184 HydrophobicContact CB-CG1 4.33Å; V162-V184 HydrophobicContact CG2-CG1 3.6Å; C179-V184 CarbonylContact C-O 3.55Å; C179-V184 HydrophobicContact CB-CB 4Å; C179-V184 HydrophobicContact CB-CG1 4.34Å; C179-V184 WeakPolarHBondContact CB-O 3.34Å; C179-V184 PolarHBondContact O-N 3.3Å; K182-V184 VanDerWaalsContact C-N 3.26Å; K182-V184 HydrophobicContact CB-CG2 4.26Å; K182-V184 PolarHBondContact O-N 2.73Å
185	K	98.6	Very high	97.9	Very high	41 Å²	41	19.8 Å²	19.8	18%	0.178	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	133.6	-177.9	-49.6	-54.8	-176.6	-172.8	0	109.6	Q160 V161 V162 F202 A412	Q160-K185 WeakPolarHBondContact O-CB 3.48Å; Q160-K185 WeakPolarHBondContact O-CG 3.31Å; Q160-K185 PolarHBondContact O-N 3.2Å; V161-K185 CarbonylContact C-O 3.54Å; V161-K185 WeakPolarHBondContact CA-O 3.49Å; V161-K185 HydrophobicContact CG1-CB 4.38Å; V161-K185 HydrophobicContact CG2-CB 4.21Å; V162-K185 PolarHBondContact N-O 2.71Å; K185-F202 HydrophobicContact CB-CD1 3.83Å; K185-F202 HydrophobicContact CB-CE1 4.42Å; K185-F202 HydrophobicContact CD-CB 3.88Å; K185-F202 HydrophobicContact CD-CG 4.49Å; K185-F202 WeakPolarHBondContact CD-O 3.41Å; K185-F202 PolarHBondContact NZ-O 3.43Å; K185-A412 HydrophobicContact CB-CB 3.95Å; K185-A412 HydrophobicContact CG-CB 4.23Å
186	L	98.8	Very high	98	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	136	-176.8	-178.4	75.3	0	0	0	111.4	V162 L164 G176 C179 V188 F199 D201 F202 L306	V162-L186 HydrophobicContact CB-CD1 4.5Å; V162-L186 HydrophobicContact CG1-CD1 4.33Å; V162-L186 WeakPolarHBondContact O-CA 3.29Å; L164-L186 HydrophobicContact CD1-CD1 4.02Å; L164-L186 HydrophobicContact CG-CD1 4.09Å; G176-L186 VanDerWaalsContact CA-CD2 3.43Å; C179-L186 HydrophobicContact CB-CB 4.32Å; L186-V188 HydrophobicContact CD1-CG2 4.18Å; L186-V188 HydrophobicContact CD2-CG2 3.87Å; L186-V188 HydrophobicContact CG-CG2 3.95Å; L186-F199 HydrophobicContact CD2-CD1 4.44Å; L186-F199 HydrophobicContact CD2-CE1 4.15Å; L186-D201 HydrophobicContact CB-CB 4.27Å; L186-D201 HydrophobicContact CD2-CB 4.5Å; L186-D201 PolarHBondContact N-O 2.99Å; L186-D201 PolarHBondContact O-N 3.01Å; L186-F202 WeakPolarHBondContact O-CE1 3.48Å; L186-L306 HydrophobicContact CD2-CD1 4.14Å
187	V	98.9	Very high	98	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	131.1	163.8	-179.8	0	0	0	0	108.2	V162 V163 L164 L198 F199 F202 A405 E408 V409	V162-V187 PolarHBondContact O-N 3.47Å; V163-V187 CarbonylContact C-O 3.49Å; V163-V187 VanDerWaalsContact CA-O 3.25Å; V163-V187 WeakPolarHBondContact CA-O 3.45Å; V163-V187 HydrophobicContact CG1-CB 4.34Å; V163-V187 HydrophobicContact CG1-CG1 4.37Å; V163-V187 HydrophobicContact CG2-CB 4.31Å; L164-V187 PolarHBondContact N-O 2.95Å; V187-L198 HydrophobicContact CG1-CD1 3.5Å; V187-F199 CarbonylContact C-O 3.55Å; V187-F199 WeakPolarHBondContact CA-O 3.4Å; V187-F202 HydrophobicContact CG2-CE1 3.81Å; V187-F202 HydrophobicContact CG2-CZ 4.14Å; V187-A405 HydrophobicContact CG1-CB 4.3Å; V187-E408 HydrophobicContact CG2-CB 4.34Å; V187-V409 HydrophobicContact CG2-CG2 4.18Å
188	V	98.9	Very high	98.1	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.006	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	129.2	172.2	-176.4	0	0	0	0	108.5	L164 Q172 L186 L198 F199 L306	L164-V188 HydrophobicContact CB-CG1 4.46Å; L164-V188 HydrophobicContact CB-CG2 4.24Å; L164-V188 HydrophobicContact CD1-CG2 4.39Å; L164-V188 WeakPolarHBondContact O-CA 3.38Å; Q172-V188 HydrophobicContact CG-CG1 4.07Å; L186-V188 HydrophobicContact CD1-CG2 4.18Å; L186-V188 HydrophobicContact CD2-CG2 3.87Å; L186-V188 HydrophobicContact CG-CG2 3.95Å; V188-L198 CarbonylContact O-C 3.45Å; V188-L198 WeakPolarHBondContact O-CA 3.36Å; V188-F199 HydrophobicContact CB-CB 4.25Å; V188-F199 HydrophobicContact CB-CD1 4.45Å; V188-F199 HydrophobicContact CG2-CD1 4.21Å; V188-F199 PolarHBondContact N-O 2.79Å; V188-F199 PolarHBondContact O-N 3.47Å; V188-L306 HydrophobicContact CG2-CD1 3.89Å
189	A	98.8	Very high	98.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	134.2	178.7	0	0	0	0	0	110.9	L83 I87 L164 T165 Q197 L198 I401 A405	L83-A189 HydrophobicContact CD2-CB 3.82Å; L83-A189 VanDerWaalsContact CD2-O 3.29Å; L83-A189 WeakPolarHBondContact CD2-O 3.4Å; I87-A189 HydrophobicContact CD1-CB 4.38Å; L164-A189 PolarHBondContact O-N 3.09Å; T165-A189 VanDerWaalsContact CA-O 3.31Å; T165-A189 WeakPolarHBondContact CA-O 3.32Å; A189-Q197 WeakPolarHBondContact CA-O 3.48Å; A189-L198 HydrophobicContact CB-CD1 3.96Å; A189-I401 HydrophobicContact CB-CG2 4.1Å; A189-A405 HydrophobicContact CB-CB 4.24Å
190	D	98.4	Very high	98.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	145.3	176.7	-74.4	-61.1	0	0	0	110.9	N166 Q172 G196 Q197 F333	N166-D190 WeakPolarHBondContact CA-OD1 3.39Å; N166-D190 PolarHBondContact N-OD1 3.48Å; Q172-D190 PolarHBondContact NE2-OD2 2.82Å; D190-G196 CarbonylContact O-C 3.51Å; D190-G196 WeakPolarHBondContact O-CA 3.26Å; D190-Q197 HydrophobicContact CB-CG 3.83Å; D190-Q197 PolarHBondContact N-O 3.25Å; D190-Q197 VanDerWaalsContact N-O 3.07Å; D190-Q197 PolarHBondContact O-N 2.87Å; D190-Q197 PolarHBondContact OD2-NE2 2.86Å; D190-Q197 VanDerWaalsContact OD2-NE2 3.15Å; D190-F333 HydrophobicContact CB-CE1 4.17Å
191	T	98.7	Very high	98.3	Very high	5 Å²	5	14.8 Å²	14.8	3%	0.031	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	139.7	176.1	54.8	0	0	0	0	109.9	L83 F195 I397 N398 I401	L83-T191 HydrophobicContact CD1-CG2 4.1Å; L83-T191 HydrophobicContact CD2-CG2 3.93Å; L83-T191 HydrophobicContact CG-CG2 4.46Å; T191-F195 WeakPolarHBondContact CA-O 3.15Å; T191-I397 HydrophobicContact CG2-CG2 3.61Å; T191-N398 WeakPolarHBondContact CB-OD1 3.28Å; T191-N398 WeakPolarHBondContact CG2-OD1 3.46Å; T191-N398 PolarHBondContact OG1-OD1 3.34Å; T191-I401 HydrophobicContact CG2-CB 4.1Å; T191-I401 HydrophobicContact CG2-CG1 4.05Å; T191-I401 HydrophobicContact CG2-CG2 4.4Å
192	R	98.3	Very high	98.4	Very high	9 Å²	9	10.8 Å²	10.8	3%	0.034	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	90.8	-175.6	-63.2	-63.9	175.5	-154.9	-6.5	108.8	L194 F195 F333 I336 L389 A390	R192-L194 PolarHBondContact O-N 3.07Å; R192-L194 VanDerWaalsContact O-N 3.13Å; R192-F195 HydrophobicContact CB-CB 4.5Å; R192-F195 PolarHBondContact N-O 3.15Å; R192-F195 WeakPolarHBondContact O-CB 3.38Å; R192-F195 WeakPolarHBondContact O-CD2 3.34Å; R192-F195 PolarHBondContact O-N 3.48Å; R192-F333 HydrophobicContact CB-CE1 4.4Å; R192-F333 HydrophobicContact CG-CD1 4.37Å; R192-F333 HydrophobicContact CG-CE1 3.71Å; R192-F333 HydrophobicContact CG-CZ 4.34Å; R192-I336 HydrophobicContact CG-CD1 4.34Å; R192-L389 CarbonylContact C-O 3.54Å; R192-A390 VanDerWaalsContact CD-O 3.31Å; R192-A390 WeakPolarHBondContact CD-O 3.3Å
193	G	98.3	Very high	98.4	Very high	1 Å²	1	6 Å²	6	1%	0.01	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	-117.9	-173.4	0	0	0	0	0	111.2	F195 L389 G392 L394 I397	G193-F195 VanDerWaalsContact C-N 3.3Å; G193-F195 PolarHBondContact O-N 3.22Å; G193-L389 WeakPolarHBondContact CA-O 3.47Å; G193-L389 PolarHBondContact N-O 3.1Å; G193-G392 PolarHBondContact N-O 2.96Å; G193-L394 WeakPolarHBondContact O-CD1 3.41Å; G193-I397 WeakPolarHBondContact O-CG1 3.49Å
194	L	98.8	Very high	98.3	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	3.2	179.3	-69.3	169.7	0	0	0	114.5	R192 L389 L394 D427 A428 L429 C431 L432 V458 F459 L906	R192-L194 PolarHBondContact O-N 3.07Å; R192-L194 VanDerWaalsContact O-N 3.13Å; L194-L389 HydrophobicContact CB-CD1 4.01Å; L194-L389 HydrophobicContact CD1-CD1 3.93Å; L194-L389 HydrophobicContact CG-CD1 4.19Å; L194-L394 HydrophobicContact CD2-CD1 3.56Å; L194-L394 HydrophobicContact CG-CD1 3.98Å; L194-D427 VanDerWaalsContact O-CA 3.29Å; L194-D427 WeakPolarHBondContact O-CA 3.35Å; L194-A428 HydrophobicContact CD2-CB 4.23Å; L194-A428 PolarHBondContact O-N 2.91Å; L194-L429 HydrophobicContact CB-CD2 4.45Å; L194-L429 HydrophobicContact CD1-CD2 4.46Å; L194-C431 HydrophobicContact CD1-CB 4.08Å; L194-C431 HydrophobicContact CD2-CB 3.79Å; L194-L432 HydrophobicContact CD1-CD2 3.71Å; L194-L432 HydrophobicContact CD1-CG 3.76Å; L194-V458 HydrophobicContact CD1-CG1 4.07Å; L194-V458 HydrophobicContact CG-CG1 4.02Å; L194-F459 HydrophobicContact CD1-CE1 4.33Å; L194-F459 HydrophobicContact CD1-CZ 4.48Å; L194-F459 HydrophobicContact CD2-CZ 4.03Å; L194-L906 HydrophobicContact CD2-CD2 4.27Å
195	F	98.8	Very high	98.2	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	145.7	179.6	-57.8	-83.8	0	0	0	111.6	T191 R192 G193 L329 F333 L382 K385 M386 L389 F426 D427 L429	T191-F195 WeakPolarHBondContact CA-O 3.15Å; R192-F195 HydrophobicContact CB-CB 4.5Å; R192-F195 PolarHBondContact N-O 3.15Å; R192-F195 WeakPolarHBondContact O-CB 3.38Å; R192-F195 WeakPolarHBondContact O-CD2 3.34Å; R192-F195 PolarHBondContact O-N 3.48Å; G193-F195 VanDerWaalsContact C-N 3.3Å; G193-F195 PolarHBondContact O-N 3.22Å; F195-L329 HydrophobicContact CD1-CD2 3.64Å; F195-L329 HydrophobicContact CE1-CD2 3.69Å; F195-F333 HydrophobicContact CB-CE2 4.16Å; F195-F333 HydrophobicContact CB-CZ 4.02Å; F195-L382 HydrophobicContact CE1-CD1 3.85Å; F195-L382 HydrophobicContact CZ-CD1 4.1Å; F195-K385 HydrophobicContact CZ-CB 4.38Å; F195-M386 HydrophobicContact CD1-CG 4.13Å; F195-M386 HydrophobicContact CD2-CG 4.05Å; F195-M386 HydrophobicContact CE1-CG 3.76Å; F195-M386 HydrophobicContact CE2-CB 4.16Å; F195-M386 HydrophobicContact CE2-CG 3.67Å; F195-M386 HydrophobicContact CG-CG 4.26Å; F195-M386 HydrophobicContact CZ-CB 4.38Å; F195-M386 HydrophobicContact CZ-CG 3.48Å; F195-M386 VanDerWaalsContact CZ-CG 3.48Å; F195-L389 HydrophobicContact CD2-CB 4.47Å; F195-L389 HydrophobicContact CE2-CB 4.3Å; F195-L389 HydrophobicContact CE2-CD1 3.97Å; F195-L389 HydrophobicContact CE2-CG 4.5Å; F195-F426 CarbonylContact C-O 3.48Å; F195-F426 WeakPolarHBondContact CA-O 3.41Å; F195-D427 HydrophobicContact CD1-CB 3.47Å; F195-D427 VanDerWaalsContact CD1-CB 3.47Å; F195-D427 HydrophobicContact CE1-CB 3.68Å; F195-D427 HydrophobicContact CG-CB 4.46Å; F195-L429 HydrophobicContact CE1-CD1 3.97Å; F195-L429 HydrophobicContact CE1-CD2 4.19Å; F195-L429 HydrophobicContact CE1-CG 4.06Å; F195-L429 HydrophobicContact CE2-CD2 3.97Å; F195-L429 HydrophobicContact CZ-CD1 3.83Å; F195-L429 HydrophobicContact CZ-CD2 3.55Å; F195-L429 HydrophobicContact CZ-CG 3.89Å
196	G	98.5	Very high	98	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	147.5	173.3	0	0	0	0	0	111.9	D190 F426	D190-G196 CarbonylContact O-C 3.51Å; D190-G196 WeakPolarHBondContact O-CA 3.26Å; G196-F426 PolarHBondContact N-O 3.22Å; G196-F426 PolarHBondContact O-N 3.46Å
197	Q	98.5	Very high	98	Very high	7 Å²	7	17 Å²	17	3%	0.033	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	150.4	168.7	68.7	172.5	17.5	0	0	110.9	A189 D190 F333 L424 Y425	A189-Q197 WeakPolarHBondContact CA-O 3.48Å; D190-Q197 HydrophobicContact CB-CG 3.83Å; D190-Q197 PolarHBondContact N-O 3.25Å; D190-Q197 VanDerWaalsContact N-O 3.07Å; D190-Q197 PolarHBondContact O-N 2.87Å; D190-Q197 PolarHBondContact OD2-NE2 2.86Å; D190-Q197 VanDerWaalsContact OD2-NE2 3.15Å; Q197-F333 HydrophobicContact CB-CD1 4.48Å; Q197-F333 HydrophobicContact CB-CD2 4.34Å; Q197-F333 HydrophobicContact CB-CE1 4.2Å; Q197-F333 HydrophobicContact CB-CE2 4.07Å; Q197-F333 HydrophobicContact CB-CZ 4Å; Q197-F333 VanDerWaalsContact CD-CD1 3.44Å; Q197-F333 HydrophobicContact CG-CD1 3.86Å; Q197-F333 HydrophobicContact CG-CE1 3.7Å; Q197-F333 HydrophobicContact CG-CE2 4.43Å; Q197-F333 HydrophobicContact CG-CG 4.3Å; Q197-F333 HydrophobicContact CG-CZ 4.01Å; Q197-F333 VanDerWaalsContact OE1-CB 3.29Å; Q197-L424 CarbonylContact C-O 3.51Å; Q197-L424 VanDerWaalsContact CA-O 3.31Å; Q197-L424 WeakPolarHBondContact CA-O 3.24Å; Q197-Y425 HydrophobicContact CB-CD1 3.71Å; Q197-Y425 HydrophobicContact CB-CE1 3.51Å
198	L	98.8	Very high	97.9	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	135	172.1	174.3	68.4	0	0	0	109	V187 V188 A189 V404 A405 E408 V420 W423 L424	V187-L198 HydrophobicContact CG1-CD1 3.5Å; V188-L198 CarbonylContact O-C 3.45Å; V188-L198 WeakPolarHBondContact O-CA 3.36Å; A189-L198 HydrophobicContact CB-CD1 3.96Å; L198-V404 HydrophobicContact CD2-CB 4.4Å; L198-V404 HydrophobicContact CD2-CG1 3.57Å; L198-A405 HydrophobicContact CD1-CB 3.73Å; L198-E408 HydrophobicContact CD2-CG 3.96Å; L198-V420 HydrophobicContact CD2-CG2 4.42Å; L198-W423 WeakPolarHBondContact O-CA 3.43Å; L198-L424 HydrophobicContact CB-CB 4.22Å; L198-L424 HydrophobicContact CB-CD2 4.42Å; L198-L424 PolarHBondContact N-O 3.46Å; L198-L424 PolarHBondContact O-N 3.45Å
199	F	98.8	Very high	97.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	138.1	174.7	172	-104.3	0	0	0	110.1	L186 V187 V188 D201 L306 S309 Q422 W423	L186-F199 HydrophobicContact CD2-CD1 4.44Å; L186-F199 HydrophobicContact CD2-CE1 4.15Å; V187-F199 CarbonylContact C-O 3.55Å; V187-F199 WeakPolarHBondContact CA-O 3.4Å; V188-F199 HydrophobicContact CB-CB 4.25Å; V188-F199 HydrophobicContact CB-CD1 4.45Å; V188-F199 HydrophobicContact CG2-CD1 4.21Å; V188-F199 PolarHBondContact N-O 2.79Å; V188-F199 PolarHBondContact O-N 3.47Å; F199-D201 HydrophobicContact CE1-CB 3.62Å; F199-D201 HydrophobicContact CZ-CB 3.75Å; F199-L306 HydrophobicContact CD1-CD1 3.87Å; F199-L306 HydrophobicContact CD1-CG 4.21Å; F199-L306 HydrophobicContact CE1-CB 3.77Å; F199-L306 HydrophobicContact CE1-CD1 3.88Å; F199-L306 HydrophobicContact CE1-CG 3.87Å; F199-L306 HydrophobicContact CZ-CB 4.15Å; F199-L306 HydrophobicContact CZ-CG 4.4Å; F199-S309 WeakPolarHBondContact CE2-OG 3.34Å; F199-Q422 WeakPolarHBondContact CA-O 3.45Å; F199-Q422 HydrophobicContact CD2-CB 4.13Å; F199-Q422 HydrophobicContact CE2-CB 3.84Å; F199-W423 HydrophobicContact CB-CD2 4.13Å; F199-W423 HydrophobicContact CB-CE3 3.78Å; F199-W423 HydrophobicContact CB-CH2 3.92Å; F199-W423 HydrophobicContact CB-CZ2 4.24Å; F199-W423 HydrophobicContact CB-CZ3 3.69Å; F199-W423 AromaticContact CD2-CD1 3.97Å; F199-W423 AromaticContact CD2-CD2 3.63Å; F199-W423 HydrophobicContact CD2-CD2 3.63Å; F199-W423 AromaticContact CD2-CE2 3.28Å; F199-W423 HydrophobicContact CD2-CE3 4.17Å; F199-W423 HydrophobicContact CD2-CG 4.05Å; F199-W423 HydrophobicContact CD2-CH2 4.09Å; F199-W423 AromaticContact CD2-CZ2 3.53Å; F199-W423 HydrophobicContact CD2-CZ2 3.53Å; F199-W423 HydrophobicContact CD2-CZ3 4.39Å; F199-W423 AromaticContact CD2-NE1 3.52Å; F199-W423 AromaticContact CE2-CE2 3.79Å; F199-W423 AromaticContact CE2-CZ2 3.99Å; F199-W423 HydrophobicContact CE2-CZ2 3.99Å; F199-W423 AromaticContact CE2-NE1 3.66Å; F199-W423 HydrophobicContact CG-CD2 4.24Å; F199-W423 HydrophobicContact CG-CE3 4.33Å; F199-W423 AromaticContact CG-CH2 3.97Å; F199-W423 HydrophobicContact CG-CH2 3.97Å; F199-W423 AromaticContact CG-CZ2 3.86Å; F199-W423 HydrophobicContact CG-CZ2 3.86Å; F199-W423 HydrophobicContact CG-CZ3 4.22Å
200	C	98.8	Very high	97.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	132.3	175.6	-64.9	0	0	0	0	110.8	F202 F303 Q422	C200-F202 HydrophobicContact CB-CE1 4.04Å; C200-F202 HydrophobicContact CB-CE2 4.34Å; C200-F202 HydrophobicContact CB-CZ 3.9Å; C200-F303 HydrophobicContact CB-CE1 4.4Å; C200-F303 VanDerWaalsContact O-CD1 3.28Å; C200-F303 WeakPolarHBondContact O-CD1 3.33Å; C200-Q422 PolarHBondContact N-O 3.29Å; C200-Q422 VanDerWaalsContact N-O 3.13Å
201	D	98.7	Very high	97.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	103.1	170.3	173.6	8.8	0	0	0	109.3	H180 L186 F199 G203 F303 S305	H180-D201 WeakPolarHBondContact CB-OD2 3.18Å; H180-D201 IonicContact CE1-OD1 2.92Å; H180-D201 IonicContact CE1-OD2 2.73Å; H180-D201 IonicContact CG-OD2 2.99Å; H180-D201 IonicContact ND1-OD1 3.85Å; H180-D201 PolarHBondContact ND1-OD1 2.89Å; H180-D201 IonicContact ND1-OD2 2.67Å; H180-D201 PolarHBondContact ND1-OD2 3.37Å; L186-D201 HydrophobicContact CB-CB 4.27Å; L186-D201 HydrophobicContact CD2-CB 4.5Å; L186-D201 PolarHBondContact N-O 2.99Å; L186-D201 PolarHBondContact O-N 3.01Å; F199-D201 HydrophobicContact CE1-CB 3.62Å; F199-D201 HydrophobicContact CZ-CB 3.75Å; D201-G203 PolarHBondContact OD1-N 3.23Å; D201-F303 WeakPolarHBondContact OD1-CB 3.34Å; D201-S305 WeakPolarHBondContact OD2-CA 3.31Å
202	F	98.5	Very high	97.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.127	C	C	.	.			trans	-102.4	24.4	-179.5	-57.5	-22.2	0	0	0	112.4	K185 L186 V187 C200 M206 F303 E408 A412 P419	K185-F202 HydrophobicContact CB-CD1 3.83Å; K185-F202 HydrophobicContact CB-CE1 4.42Å; K185-F202 HydrophobicContact CD-CB 3.88Å; K185-F202 HydrophobicContact CD-CG 4.49Å; K185-F202 WeakPolarHBondContact CD-O 3.41Å; K185-F202 PolarHBondContact NZ-O 3.43Å; L186-F202 WeakPolarHBondContact O-CE1 3.48Å; V187-F202 HydrophobicContact CG2-CE1 3.81Å; V187-F202 HydrophobicContact CG2-CZ 4.14Å; C200-F202 HydrophobicContact CB-CE1 4.04Å; C200-F202 HydrophobicContact CB-CE2 4.34Å; C200-F202 HydrophobicContact CB-CZ 3.9Å; F202-M206 HydrophobicContact CB-CB 4.43Å; F202-M206 HydrophobicContact CB-SD 3.53Å; F202-M206 VanDerWaalsContact CB-SD 3.53Å; F202-M206 HydrophobicContact CD2-CE 3.91Å; F202-M206 HydrophobicContact CD2-SD 3.38Å; F202-M206 WeakPolarHBondContact CD2-SD 3.45Å; F202-M206 HydrophobicContact CE2-CE 4.49Å; F202-M206 HydrophobicContact CE2-SD 4.43Å; F202-M206 HydrophobicContact CG-SD 3.87Å; F202-F303 HydrophobicContact CB-CD2 3.8Å; F202-F303 HydrophobicContact CB-CE2 3.68Å; F202-F303 HydrophobicContact CB-CG 4.38Å; F202-F303 HydrophobicContact CB-CZ 4.15Å; F202-F303 HydrophobicContact CD2-CE1 4.44Å; F202-F303 HydrophobicContact CD2-CE2 4.16Å; F202-F303 AromaticContact CD2-CZ 3.86Å; F202-F303 HydrophobicContact CD2-CZ 3.86Å; F202-F303 HydrophobicContact CG-CE2 4.28Å; F202-F303 HydrophobicContact CG-CZ 4.26Å; F202-E408 HydrophobicContact CZ-CB 4.24Å; F202-E408 WeakPolarHBondContact CZ-O 3.46Å; F202-A412 HydrophobicContact CD1-CB 3.95Å; F202-A412 HydrophobicContact CD2-CB 4.36Å; F202-A412 HydrophobicContact CE1-CB 3.62Å; F202-A412 HydrophobicContact CE2-CB 3.99Å; F202-A412 HydrophobicContact CG-CB 4.34Å; F202-A412 HydrophobicContact CZ-CB 3.63Å; F202-P419 HydrophobicContact CD2-CB 3.9Å; F202-P419 HydrophobicContact CD2-CG 3.82Å; F202-P419 HydrophobicContact CE2-CB 3.67Å; F202-P419 HydrophobicContact CE2-CG 3.88Å
203	G	96.9	Very high	97.1	Very high	5 Å²	5	26.7 Å²	26.7	5%	0.052	14%	0.135	C	C	.	.			trans	78.8	174.7	176.4	0	0	0	0	0	114.4	D201 E205 F303	D201-G203 PolarHBondContact OD1-N 3.23Å; G203-E205 PolarHBondContact O-N 3.22Å; G203-F303 PolarHBondContact O-N 3.05Å
204	E	94.2	Very high	96.8	Very high	141 Å²	141	30.6 Å²	30.6	66%	0.659	15%	0.153	S	C	*	.	S	Bend	trans	-66.4	-18.1	-177.6	-58	-175.5	168.9	0	0	113.6	H180 S302	H180-E204 WeakPolarHBondContact NE2-CG 3.43Å; H180-E204 IonicContact NE2-OE1 2.75Å; E204-S302 WeakPolarHBondContact O-CA 3.2Å; E204-S302 WeakPolarHBondContact O-CB 3.31Å; E204-S302 PolarHBondContact O-OG 3.5Å
205	E	94.3	Very high	96.4	Very high	109 Å²	109	37.3 Å²	37.3	51%	0.509	19%	0.185	S	C	.	.			trans	-140.6	109.7	-179.9	176.4	159.5	-172.8	0	0	111.3	G203 K300	G203-E205 PolarHBondContact O-N 3.22Å; E205-K300 HydrophobicContact CG-CD 4.18Å; E205-K300 HydrophobicContact CG-CG 4.39Å; E205-K300 WeakPolarHBondContact OE1-CE 3.32Å; E205-K300 IonicContact OE1-NZ 3.76Å; E205-K300 PolarHBondContact OE1-NZ 3.43Å; E205-K300 WeakPolarHBondContact OE2-CE 3.17Å; E205-K300 IonicContact OE2-NZ 2.77Å; E205-K300 PolarHBondContact OE2-NZ 3.04Å
206	M	95.7	Very high	96.1	Very high	9 Å²	9	40.6 Å²	40.6	4%	0.044	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	134.7	168.7	178.9	179.5	-175.6	0	0	110.2	F202 K300 I301 F303 K411 P419	F202-M206 HydrophobicContact CB-CB 4.43Å; F202-M206 HydrophobicContact CB-SD 3.53Å; F202-M206 VanDerWaalsContact CB-SD 3.53Å; F202-M206 HydrophobicContact CD2-CE 3.91Å; F202-M206 HydrophobicContact CD2-SD 3.38Å; F202-M206 WeakPolarHBondContact CD2-SD 3.45Å; F202-M206 HydrophobicContact CE2-CE 4.49Å; F202-M206 HydrophobicContact CE2-SD 4.43Å; F202-M206 HydrophobicContact CG-SD 3.87Å; M206-K300 CarbonylContact O-C 3.57Å; M206-K300 WeakPolarHBondContact O-CA 3.34Å; M206-I301 HydrophobicContact CB-CG1 3.95Å; M206-I301 HydrophobicContact CG-CG1 4.38Å; M206-I301 PolarHBondContact N-O 2.95Å; M206-I301 PolarHBondContact O-N 3.27Å; M206-I301 HydrophobicContact SD-CD1 4.23Å; M206-F303 HydrophobicContact CB-CE2 4.47Å; M206-F303 HydrophobicContact SD-CE2 4.15Å; M206-K411 VanDerWaalsContact CE-O 3.28Å; M206-K411 WeakPolarHBondContact CE-O 3.24Å; M206-P419 HydrophobicContact CE-CG 3.94Å; M206-P419 HydrophobicContact SD-CG 3.92Å
207	I	97.6	Very high	95.9	Very high	70 Å²	70	44 Å²	44	36%	0.359	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	120.8	173.4	-55.9	178.9	0	0	0	108.5	Y209 P298 G415	I207-Y209 HydrophobicContact CG2-CD1 4.13Å; I207-Y209 HydrophobicContact CG2-CE1 3.79Å; I207-Y209 HydrophobicContact CG2-CE2 4.26Å; I207-P298 HydrophobicContact CG2-CB 3.77Å; I207-G415 WeakPolarHBondContact O-CA 3.46Å
208	V	97.8	Very high	95.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	111.8	170.7	-179.6	0	0	0	0	108	D210 T211 P298 K299 I301 G415 F417	V208-D210 WeakPolarHBondContact CG1-O 3.35Å; V208-T211 HydrophobicContact CB-CG2 4.48Å; V208-T211 HydrophobicContact CG1-CG2 3.81Å; V208-P298 CarbonylContact O-C 3.58Å; V208-P298 WeakPolarHBondContact O-CA 3.39Å; V208-K299 PolarHBondContact N-O 2.65Å; V208-K299 PolarHBondContact O-N 3.2Å; V208-I301 HydrophobicContact CG2-CD1 3.6Å; V208-I301 HydrophobicContact CG2-CG1 4.06Å; V208-G415 CarbonylContact C-O 3.49Å; V208-G415 WeakPolarHBondContact CA-O 3.32Å; V208-F417 WeakPolarHBondContact CG1-O 3.42Å
209	Y	96.3	Very high	95.2	Very high	96 Å²	96	47.7 Å²	47.7	38%	0.376	25%	0.251	S	S	.	.	S	Bend	trans	-78.8	-23.4	-177.4	-63.1	-78.4	0	0	0	113.2	R69 I207 P298 G415	R69-Y209 VanDerWaalsContact NH1-CE2 3.3Å; R69-Y209 VanDerWaalsContact NH2-CD2 3.32Å; I207-Y209 HydrophobicContact CG2-CD1 4.13Å; I207-Y209 HydrophobicContact CG2-CE1 3.79Å; I207-Y209 HydrophobicContact CG2-CE2 4.26Å; Y209-P298 HydrophobicContact CD1-CB 4.23Å; Y209-P298 HydrophobicContact CD1-CG 4.11Å; Y209-G415 PolarHBondContact N-O 3Å
210	D	95.8	Very high	94.9	Very high	15 Å²	15	50.6 Å²	50.6	8%	0.08	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-151.1	119.8	178.3	177.3	-6.8	0	0	0	107.9	V208 N212 G213 K416 F417	V208-D210 WeakPolarHBondContact CG1-O 3.35Å; D210-N212 PolarHBondContact OD1-N 3.48Å; D210-N212 PolarHBondContact OD1-OD1 2.85Å; D210-G213 PolarHBondContact OD1-N 2.72Å; D210-G213 WeakPolarHBondContact OD2-CA 3.28Å; D210-K416 HydrophobicContact CB-CD 4.05Å; D210-K416 WeakPolarHBondContact OD2-CE 3.44Å; D210-K416 IonicContact OD2-NZ 2.8Å; D210-K416 PolarHBondContact OD2-NZ 3.45Å; D210-F417 CarbonylContact O-C 3.56Å; D210-F417 WeakPolarHBondContact O-CA 3.37Å; D210-F417 PolarHBondContact O-N 3.49Å
211	T	95.6	Very high	94.5	Very high	47 Å²	47	50.8 Å²	50.8	29%	0.288	27%	0.266	S	S	.	.	S	Bend	trans	-89.8	-12.2	-172.7	51.8	0	0	0	0	113.8	V208 K299 M418	V208-T211 HydrophobicContact CB-CG2 4.48Å; V208-T211 HydrophobicContact CG1-CG2 3.81Å; T211-K299 HydrophobicContact CG2-CB 4.25Å; T211-K299 HydrophobicContact CG2-CD 4.2Å; T211-M418 WeakPolarHBondContact O-CB 3.49Å; T211-M418 PolarHBondContact O-N 2.96Å
212	N	94.1	Very high	94.2	Very high	40 Å²	40	53.4 Å²	53.4	21%	0.214	28%	0.284	C	S	.	.	S	Bend	trans	-136.7	-15	-171.4	68.6	19.5	0	0	0	115.3	D210 E214 K296 A929 L930	D210-N212 PolarHBondContact OD1-N 3.48Å; D210-N212 PolarHBondContact OD1-OD1 2.85Å; N212-E214 PolarHBondContact O-N 3.37Å; N212-E214 PolarHBondContact OD1-N 2.95Å; N212-K296 PolarHBondContact ND2-NZ 3.05Å; N212-K296 PolarHBondContact OD1-NZ 3.41Å; N212-A929 VanDerWaalsContact O-CB 3.25Å; N212-A929 WeakPolarHBondContact O-CB 3.41Å; N212-L930 HydrophobicContact CB-CD2 3.66Å
213	G	93.5	Very high	93.9	Very high	21 Å²	21	58.4 Å²	58.4	22%	0.216	31%	0.309	C	S	.	.			trans	75.4	0	176.5	0	0	0	0	0	115.3	D210 F417	D210-G213 PolarHBondContact OD1-N 2.72Å; D210-G213 WeakPolarHBondContact OD2-CA 3.28Å; G213-F417 VanDerWaalsContact CA-CE1 3.43Å
214	E	93.8	Very high	93.9	Very high	83 Å²	83	58.5 Å²	58.5	39%	0.388	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-76.2	145.2	177.1	-61.8	-60.9	150.7	0	0	110.1	N212 K604	N212-E214 PolarHBondContact O-N 3.37Å; N212-E214 PolarHBondContact OD1-N 2.95Å; E214-K604 WeakPolarHBondContact OE1-CE 3.37Å; E214-K604 IonicContact OE1-NZ 2.85Å; E214-K604 PolarHBondContact OE1-NZ 2.86Å; E214-K604 IonicContact OE2-NZ 3.33Å; E214-K604 PolarHBondContact OE2-NZ 3.34Å
215	Q	90.1	Very high	94	Very high	141 Å²	141	53.9 Å²	53.9	66%	0.659	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-61.8	139.2	173.8	-66.4	-62.7	-30.4	0	0	109.8	L217	Q215-L217 PolarHBondContact O-N 3.5Å
216	P	92.1	Very high	94.1	Very high	69 Å²	69	53.2 Å²	53.2	45%	0.448	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-55.2	128.7	175.9	-24	32.9	0	0	0	111.5	Q294	P216-Q294 HydrophobicContact CB-CB 4.19Å; P216-Q294 WeakPolarHBondContact CB-O 3.39Å
217	L	93.3	Very high	94.1	Very high	72 Å²	72	57.1 Å²	57.1	38%	0.377	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-70.6	153.8	179.4	-63.8	177.9	0	0	0	111.1	Q215 G241 F242 Q294	Q215-L217 PolarHBondContact O-N 3.5Å; L217-G241 VanDerWaalsContact CD1-C 3.42Å; L217-G241 WeakPolarHBondContact CD1-O 3.48Å; L217-F242 HydrophobicContact CB-CD1 3.83Å; L217-F242 HydrophobicContact CB-CE1 3.55Å; L217-F242 HydrophobicContact CD1-CD1 4.14Å; L217-Q294 HydrophobicContact CB-CB 4.42Å; L217-Q294 VanDerWaalsContact N-OE1 3.12Å; L217-Q294 WeakPolarHBondContact O-CB 3.35Å; L217-Q294 PolarHBondContact O-N 3.16Å
218	S	91.9	Very high	94	Very high	72 Å²	72	58.6 Å²	58.6	50%	0.503	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	144.6	176.9	-169.7	0	0	0	0	110.5	I291 V292 S293	S218-I291 WeakPolarHBondContact OG-CG2 3.45Å; S218-V292 CarbonylContact C-O 3.5Å; S218-V292 VanDerWaalsContact CA-O 3.24Å; S218-V292 WeakPolarHBondContact CA-O 3.42Å; S218-V292 PolarHBondContact OG-O 2.96Å; S218-V292 VanDerWaalsContact OG-O 3.12Å; S218-S293 PolarHBondContact OG-OG 3.32Å
219	A	92.1	Very high	93.9	Very high	12 Å²	12	61.6 Å²	61.6	10%	0.099	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	149.1	178.1	0	0	0	0	0	111.7	H240 I291 V292	A219-H240 HydrophobicContact CB-CB 4.07Å; A219-I291 WeakPolarHBondContact O-CA 3.42Å; A219-V292 HydrophobicContact CB-CG1 3.85Å; A219-V292 PolarHBondContact N-O 3.18Å; A219-V292 VanDerWaalsContact O-CG1 3.29Å; A219-V292 WeakPolarHBondContact O-CG1 3.23Å; A219-V292 PolarHBondContact O-N 3.12Å
220	M	90.9	Very high	94	Very high	60 Å²	60	57 Å²	57	30%	0.296	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	139.7	174	-75.1	-178	-76.4	0	0	110.8	C234 L235 P745	M220-C234 VanDerWaalsContact O-CA 3.31Å; M220-C234 WeakPolarHBondContact O-CA 3.22Å; M220-L235 HydrophobicContact CB-CD1 3.56Å; M220-L235 HydrophobicContact CB-CG 4.14Å; M220-L235 HydrophobicContact CE-CD1 4.05Å; M220-L235 HydrophobicContact CG-CD1 4.4Å; M220-L235 PolarHBondContact O-N 2.97Å; M220-L235 HydrophobicContact SD-CD1 4Å; M220-P745 HydrophobicContact CE-CB 4.15Å
221	I	92.4	Very high	94.1	Very high	5 Å²	5	57.9 Å²	57.9	3%	0.026	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	134.5	-174.6	-59.6	170.8	0	0	0	110	I224 V232 F250 I253 Y286 G290 V292	I221-I224 HydrophobicContact CD1-CD1 4.27Å; I221-I224 HydrophobicContact CG2-CD1 4.1Å; I221-I224 HydrophobicContact CG2-CG1 3.67Å; I221-V232 HydrophobicContact CD1-CG1 4.36Å; I221-V232 HydrophobicContact CG1-CG1 4.1Å; I221-V232 HydrophobicContact CG2-CG1 4.09Å; I221-F250 HydrophobicContact CD1-CD1 3.53Å; I221-F250 HydrophobicContact CD1-CE1 3.85Å; I221-I253 HydrophobicContact CD1-CD1 4.22Å; I221-I253 HydrophobicContact CD1-CG1 4.26Å; I221-Y286 HydrophobicContact CG2-CE2 4.22Å; I221-G290 WeakPolarHBondContact CB-O 3.46Å; I221-G290 PolarHBondContact N-O 3.31Å; I221-V292 HydrophobicContact CD1-CB 4.15Å; I221-V292 HydrophobicContact CG1-CB 4.37Å; I221-V292 HydrophobicContact CG1-CG1 4.21Å
222	S	90.8	Very high	94.1	Very high	54 Å²	54	55.7 Å²	55.7	38%	0.378	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-47.9	173.1	-175.6	0	0	0	0	111	T233 Y286	S222-T233 WeakPolarHBondContact CA-O 3.09Å; S222-T233 WeakPolarHBondContact CB-O 3.03Å; S222-T233 PolarHBondContact N-O 2.79Å; S222-Y286 VanDerWaalsContact C-OH 3.27Å; S222-Y286 VanDerWaalsContact O-CE1 3.26Å; S222-Y286 WeakPolarHBondContact O-CE1 3.31Å; S222-Y286 PolarHBondContact O-OH 3.48Å
223	M	92.4	Very high	94.2	Very high	105 Å²	105	55.5 Å²	55.5	52%	0.517	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	149.6	-176.9	-178.6	178.5	-83	0	0	111.3	T233 Y286	M223-T233 PolarHBondContact N-O 3.35Å; M223-T233 PolarHBondContact O-N 3.41Å; M223-Y286 HydrophobicContact CB-CE1 4.48Å
224	I	96.4	Very high	94.2	Very high	7 Å²	7	54.6 Å²	54.6	4%	0.036	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	126.9	167.6	-50.1	179.5	0	0	0	108.7	I221 V231 V232 I253 M256 L259 I277 Y286	I221-I224 HydrophobicContact CD1-CD1 4.27Å; I221-I224 HydrophobicContact CG2-CD1 4.1Å; I221-I224 HydrophobicContact CG2-CG1 3.67Å; I224-V231 CarbonylContact C-O 3.59Å; I224-V231 WeakPolarHBondContact CA-O 3.48Å; I224-V232 HydrophobicContact CG1-CG1 4.48Å; I224-V232 HydrophobicContact CG1-CG2 4.34Å; I224-V232 HydrophobicContact CG2-CG2 4.27Å; I224-I253 HydrophobicContact CD1-CD1 3.58Å; I224-I253 HydrophobicContact CD1-CG1 4.24Å; I224-I253 HydrophobicContact CD1-CG2 4.4Å; I224-M256 HydrophobicContact CB-SD 4.15Å; I224-M256 HydrophobicContact CG2-CE 4.23Å; I224-M256 HydrophobicContact CG2-SD 3.63Å; I224-L259 HydrophobicContact CD1-CD1 3.67Å; I224-L259 HydrophobicContact CG2-CD1 4.24Å; I224-I277 HydrophobicContact CG2-CD1 4.48Å; I224-Y286 HydrophobicContact CB-CD2 4.09Å; I224-Y286 HydrophobicContact CB-CG 4.26Å; I224-Y286 HydrophobicContact CD1-CD2 4.07Å; I224-Y286 HydrophobicContact CD1-CE2 4.38Å; I224-Y286 HydrophobicContact CG1-CD2 3.88Å; I224-Y286 HydrophobicContact CG1-CE2 4.16Å; I224-Y286 HydrophobicContact CG1-CG 4.49Å
225	T	97.2	Very high	93.9	Very high	44 Å²	44	52.4 Å²	52.4	27%	0.27	29%	0.29	S	S	.	.			trans	-80	151.4	176	68.3	0	0	0	0	111.3	V231 T280	T225-V231 HydrophobicContact CG2-CB 4.09Å; T225-V231 PolarHBondContact N-O 2.81Å; T225-V231 WeakPolarHBondContact OG1-CB 3.45Å; T225-V231 PolarHBondContact OG1-N 2.98Å; T225-T280 PolarHBondContact O-OG1 3.2Å
226	K	96.6	Very high	93.1	Very high	96 Å²	96	51.7 Å²	51.7	42%	0.417	29%	0.291	S	S	.	.			trans	-98.9	82.8	172.1	-172.5	169.2	178.6	165	0	108.9	M256 T280 T281 F283 D285	K226-M256 HydrophobicContact CB-CE 4.42Å; K226-T280 WeakPolarHBondContact CA-OG1 3.43Å; K226-T280 WeakPolarHBondContact CG-O 3.34Å; K226-T281 WeakPolarHBondContact CE-O 3.37Å; K226-F283 WeakPolarHBondContact CE-O 3.48Å; K226-F283 PolarHBondContact NZ-O 3.46Å; K226-D285 WeakPolarHBondContact CD-OD1 3.5Å; K226-D285 IonicContact NZ-OD1 3.77Å; K226-D285 PolarHBondContact NZ-OD1 3.02Å
227	D	95.9	Very high	92	Very high	90 Å²	90	56.9 Å²	56.9	48%	0.481	31%	0.309	S	S	.	.	S	Bend	trans	-150.4	175.8	-168.4	-154.9	-8.9	0	0	0	110.9	P229 G230 T280	D227-P229 CarbonylContact O-C 3.45Å; D227-G230 PolarHBondContact O-N 3.44Å; D227-G230 VanDerWaalsContact O-N 3.12Å; D227-T280 PolarHBondContact N-OG1 3.1Å; D227-T280 PolarHBondContact O-N 3.44Å; D227-T280 PolarHBondContact O-OG1 3.28Å; D227-T280 VanDerWaalsContact O-OG1 3.12Å
228	N	95.4	Very high	91	Very high	102 Å²	102	56.2 Å²	56.2	55%	0.545	31%	0.314	S	S	.	.	S	Bend	trans	-127.4	103.4	173.2	-173.4	-13.8	0	0	0	110.8	D279 T281	N228-D279 HydrophobicContact CB-CB 4.37Å; N228-D279 VanDerWaalsContact ND2-CG 3.33Å; N228-D279 PolarHBondContact ND2-OD2 3.42Å; N228-T281 HydrophobicContact CB-CG2 4.23Å
229	P	96.2	Very high	91	Very high	62 Å²	62	61.6 Å²	61.6	40%	0.403	32%	0.323	S	S	.	.	S	Bend	cis	-77.2	151.6	-0.6	32.6	-35.6	0	0	0	112.6	D227 I277	D227-P229 CarbonylContact O-C 3.45Å; P229-I277 VanDerWaalsContact CB-O 3.27Å; P229-I277 WeakPolarHBondContact CB-O 3.38Å
230	G	97.3	Very high	91	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.32	C	S	.	.			trans	-64.6	143.8	171.2	0	0	0	0	0	111.1	D227 S276 I277 C278 T280	D227-G230 PolarHBondContact O-N 3.44Å; D227-G230 VanDerWaalsContact O-N 3.12Å; G230-S276 CarbonylContact O-C 3.59Å; G230-S276 WeakPolarHBondContact O-CA 3.45Å; G230-I277 WeakPolarHBondContact O-CG1 3.45Å; G230-I277 PolarHBondContact O-N 3.16Å; G230-C278 PolarHBondContact N-O 3.12Å; G230-T280 WeakPolarHBondContact CA-OG1 3.49Å
231	V	97.9	Very high	91.1	Very high	34 Å²	34	60.9 Å²	60.9	21%	0.206	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.5	-179.2	178.6	0	0	0	0	109.5	I224 T225 L270	I224-V231 CarbonylContact C-O 3.59Å; I224-V231 WeakPolarHBondContact CA-O 3.48Å; T225-V231 HydrophobicContact CG2-CB 4.09Å; T225-V231 PolarHBondContact N-O 2.81Å; T225-V231 WeakPolarHBondContact OG1-CB 3.45Å; T225-V231 PolarHBondContact OG1-N 2.98Å; V231-L270 HydrophobicContact CG1-CD1 4.03Å; V231-L270 HydrophobicContact CG2-CD1 3.99Å
232	V	97.1	Very high	91.3	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	129.5	173.7	-177.2	0	0	0	0	108.8	I221 I224 F250 T274 F275 I277	I221-V232 HydrophobicContact CD1-CG1 4.36Å; I221-V232 HydrophobicContact CG1-CG1 4.1Å; I221-V232 HydrophobicContact CG2-CG1 4.09Å; I224-V232 HydrophobicContact CG1-CG1 4.48Å; I224-V232 HydrophobicContact CG1-CG2 4.34Å; I224-V232 HydrophobicContact CG2-CG2 4.27Å; V232-F250 HydrophobicContact CG2-CE1 4.14Å; V232-F250 HydrophobicContact CG2-CZ 4.21Å; V232-T274 VanDerWaalsContact O-CA 3.28Å; V232-T274 WeakPolarHBondContact O-CA 3.21Å; V232-F275 HydrophobicContact CB-CD1 4.48Å; V232-F275 HydrophobicContact CB-CD2 4.21Å; V232-F275 HydrophobicContact CB-CE1 4Å; V232-F275 HydrophobicContact CB-CE2 3.71Å; V232-F275 HydrophobicContact CB-CZ 3.58Å; V232-F275 HydrophobicContact CG1-CE1 3.91Å; V232-F275 HydrophobicContact CG1-CE2 4.19Å; V232-F275 HydrophobicContact CG1-CZ 3.56Å; V232-F275 HydrophobicContact CG2-CD2 4.44Å; V232-F275 HydrophobicContact CG2-CE2 3.78Å; V232-F275 HydrophobicContact CG2-CZ 4.02Å; V232-F275 PolarHBondContact N-O 3.01Å; V232-F275 PolarHBondContact O-N 3.18Å; V232-F275 VanDerWaalsContact O-N 3.14Å; V232-I277 HydrophobicContact CG2-CD1 3.89Å; V232-I277 HydrophobicContact CG2-CG1 4.21Å; V232-I277 HydrophobicContact CG2-CG2 3.97Å
233	T	95.4	Very high	91.5	Very high	37 Å²	37	65.5 Å²	65.5	23%	0.227	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122.8	172.7	-55.8	0	0	0	0	108.9	S222 M223 T274	S222-T233 WeakPolarHBondContact CA-O 3.09Å; S222-T233 WeakPolarHBondContact CB-O 3.03Å; S222-T233 PolarHBondContact N-O 2.79Å; M223-T233 PolarHBondContact N-O 3.35Å; M223-T233 PolarHBondContact O-N 3.41Å; T233-T274 HydrophobicContact CG2-CG2 3.98Å
234	C	93.4	Very high	91.7	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.007	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	163.4	175.2	-60.8	0	0	0	0	111.1	M220 Y273	M220-C234 VanDerWaalsContact O-CA 3.31Å; M220-C234 WeakPolarHBondContact O-CA 3.22Å; C234-Y273 PolarHBondContact N-O 3.41Å
235	L	86.9	Confident	91.7	Very high	38 Å²	38	65.5 Å²	65.5	20%	0.199	36%	0.362	C	S	.	.			trans	-62.8	137.5	173.6	-71.8	174.2	0	0	0	111.8	M220 E237 A238	M220-L235 HydrophobicContact CB-CD1 3.56Å; M220-L235 HydrophobicContact CB-CG 4.14Å; M220-L235 HydrophobicContact CE-CD1 4.05Å; M220-L235 HydrophobicContact CG-CD1 4.4Å; M220-L235 PolarHBondContact O-N 2.97Å; M220-L235 HydrophobicContact SD-CD1 4Å; L235-E237 PolarHBondContact O-N 2.98Å; L235-A238 PolarHBondContact O-N 3.29Å
236	D	73.8	Confident	91.6	Very high	125 Å²	125	64.9 Å²	64.9	67%	0.668	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-22.5	-171.8	-67.4	-21.6	0	0	0	114.7	A238 Y273	D236-A238 VanDerWaalsContact C-N 3.32Å; D236-A238 PolarHBondContact O-N 2.92Å; D236-Y273 WeakPolarHBondContact O-CE1 3.5Å
237	E	69.4	Low	91.7	Very high	179 Å²	179	63.6 Å²	63.6	84%	0.836	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-13	-176.5	-61.8	-177.2	-179.6	0	0	113.3	L235	L235-E237 PolarHBondContact O-N 2.98Å
238	A	72.8	Confident	91.7	Very high	58 Å²	58	59.3 Å²	59.3	48%	0.479	33%	0.327	S	S	.	.	S	Bend	trans	-142.3	123.1	-178.2	0	0	0	0	0	112.7	L235 D236	L235-A238 PolarHBondContact O-N 3.29Å; D236-A238 VanDerWaalsContact C-N 3.32Å; D236-A238 PolarHBondContact O-N 2.92Å
239	R	90.1	Very high	91.8	Very high	184 Å²	184	56 Å²	56	69%	0.694	31%	0.31	S	S	*	.			trans	-65.8	142.5	170.1	-61.4	-176	-176.4	-176.8	1.4	109.9	G241 P272 Y273	R239-G241 PolarHBondContact O-N 2.94Å; R239-P272 WeakPolarHBondContact CA-O 3.35Å; R239-P272 HydrophobicContact CG-CB 4.2Å; R239-Y273 HydrophobicContact CB-CE1 4.44Å; R239-Y273 HydrophobicContact CG-CE1 3.8Å
240	H	92.5	Very high	91.8	Very high	8 Å²	8	53 Å²	53	4%	0.037	29%	0.291	C	S	.	.			trans	-72	-28.8	179.7	55.9	69.2	0	0	0	113.7	A219 F242 G271 P272 F275	A219-H240 HydrophobicContact CB-CB 4.07Å; H240-F242 HydrophobicContact CB-CD2 3.6Å; H240-F242 HydrophobicContact CB-CE2 3.7Å; H240-F242 HydrophobicContact CB-CG 4.29Å; H240-F242 HydrophobicContact CB-CZ 4.45Å; H240-F242 AromaticContact CG-CD2 3.76Å; H240-F242 AromaticContact ND1-CD2 3.68Å; H240-F242 AromaticContact ND1-CG 3.93Å; H240-F242 PolarHBondContact ND1-N 3.48Å; H240-F242 VanDerWaalsContact ND1-N 3.19Å; H240-F242 PolarHBondContact O-N 3.13Å; H240-G271 PolarHBondContact CE1-O 3.16Å; H240-G271 PolarHBondContact NE2-O 3.12Å; H240-P272 PolarHBondContact CD2-O 3.26Å; H240-P272 VanDerWaalsContact CD2-O 3.28Å; H240-P272 PolarHBondContact N-O 2.87Å; H240-P272 PolarHBondContact NE2-O 3.05Å; H240-F275 AromaticContact CD2-CD1 3.98Å
241	G	94	Very high	91.7	Very high	49 Å²	49	55.9 Å²	55.9	51%	0.505	31%	0.309	S	S	.	.			trans	71.9	-7.4	177.6	0	0	0	0	0	116.1	L217 R239	L217-G241 VanDerWaalsContact CD1-C 3.42Å; L217-G241 WeakPolarHBondContact CD1-O 3.48Å; R239-G241 PolarHBondContact O-N 2.94Å
242	F	95.8	Very high	91.3	Very high	10 Å²	10	58.2 Å²	58.2	4%	0.044	32%	0.317	C	S	.	.			trans	-61.2	159.3	173.1	-45.5	-51.5	0	0	0	114.1	L217 H240 D246 V248 I267 V269 F275 V292 Q294	L217-F242 HydrophobicContact CB-CD1 3.83Å; L217-F242 HydrophobicContact CB-CE1 3.55Å; L217-F242 HydrophobicContact CD1-CD1 4.14Å; H240-F242 HydrophobicContact CB-CD2 3.6Å; H240-F242 HydrophobicContact CB-CE2 3.7Å; H240-F242 HydrophobicContact CB-CG 4.29Å; H240-F242 HydrophobicContact CB-CZ 4.45Å; H240-F242 AromaticContact CG-CD2 3.76Å; H240-F242 AromaticContact ND1-CD2 3.68Å; H240-F242 AromaticContact ND1-CG 3.93Å; H240-F242 PolarHBondContact ND1-N 3.48Å; H240-F242 VanDerWaalsContact ND1-N 3.19Å; H240-F242 PolarHBondContact O-N 3.13Å; F242-D246 WeakPolarHBondContact CA-OD2 3.33Å; F242-V248 HydrophobicContact CE1-CG1 4.49Å; F242-V248 HydrophobicContact CE2-CG1 4.35Å; F242-V248 HydrophobicContact CZ-CG1 4.33Å; F242-I267 HydrophobicContact CB-CD1 3.46Å; F242-I267 VanDerWaalsContact CB-CD1 3.46Å; F242-I267 HydrophobicContact CD2-CD1 3.81Å; F242-I267 HydrophobicContact CG-CD1 3.86Å; F242-V269 WeakPolarHBondContact O-CG2 3.45Å; F242-F275 HydrophobicContact CD2-CD1 4.11Å; F242-F275 AromaticContact CD2-CE1 3.94Å; F242-F275 HydrophobicContact CD2-CE1 3.94Å; F242-F275 HydrophobicContact CD2-CZ 4.45Å; F242-F275 HydrophobicContact CE2-CD1 4.41Å; F242-F275 AromaticContact CE2-CE1 3.78Å; F242-F275 HydrophobicContact CE2-CE1 3.78Å; F242-F275 HydrophobicContact CE2-CZ 4.11Å; F242-V292 HydrophobicContact CE2-CG1 3.86Å; F242-V292 HydrophobicContact CE2-CG2 4.06Å; F242-V292 HydrophobicContact CZ-CG1 3.96Å; F242-V292 HydrophobicContact CZ-CG2 4.05Å; F242-Q294 HydrophobicContact CD1-CB 4.3Å; F242-Q294 HydrophobicContact CE1-CB 3.96Å
243	E	95.8	Very high	91.1	Very high	146 Å²	146	58.3 Å²	58.3	68%	0.682	32%	0.318	S	S	*	.			trans	-113.7	159.1	174.8	-64.2	-179.3	-168.3	0	0	111.5	G245 D246	E243-G245 PolarHBondContact O-N 3.12Å; E243-D246 PolarHBondContact N-OD2 3.38Å; E243-D246 VanDerWaalsContact O-CB 3.29Å; E243-D246 WeakPolarHBondContact O-CB 3.37Å; E243-D246 PolarHBondContact O-N 3.04Å
244	S	97.1	Very high	90.8	Very high	78 Å²	78	61.8 Å²	61.8	55%	0.545	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	132.8	176.1	-64.5	0	0	0	0	110.3	V269	S244-V269 PolarHBondContact OG-N 3.12Å
245	G	94.7	Very high	90.8	Very high	34 Å²	34	63.1 Å²	63.1	35%	0.351	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.4	-4.5	-171.1	0	0	0	0	0	113.9	E243 Y247 I267	E243-G245 PolarHBondContact O-N 3.12Å; G245-Y247 WeakPolarHBondContact O-CD2 3.08Å; G245-I267 PolarHBondContact N-O 3.11Å
246	D	96.2	Very high	91.2	Very high	31 Å²	31	61.3 Å²	61.3	17%	0.166	34%	0.336	C	S	.	.			trans	-64.5	156.5	166	-85.2	-33.7	0	0	0	111.2	F242 E243 E266 I267 Q294	F242-D246 WeakPolarHBondContact CA-OD2 3.33Å; E243-D246 PolarHBondContact N-OD2 3.38Å; E243-D246 VanDerWaalsContact O-CB 3.29Å; E243-D246 WeakPolarHBondContact O-CB 3.37Å; E243-D246 PolarHBondContact O-N 3.04Å; D246-E266 CarbonylContact O-C 3.56Å; D246-E266 WeakPolarHBondContact O-CA 3.46Å; D246-I267 HydrophobicContact CB-CD1 4.04Å; D246-I267 HydrophobicContact CB-CG1 3.99Å; D246-I267 WeakPolarHBondContact O-CG1 3.5Å; D246-I267 PolarHBondContact O-N 2.59Å; D246-Q294 PolarHBondContact OD1-NE2 2.73Å; D246-Q294 PolarHBondContact OD2-NE2 2.89Å; D246-Q294 VanDerWaalsContact OD2-NE2 3.11Å
247	Y	97.3	Very high	92.2	Very high	70 Å²	70	59.1 Å²	59.1	28%	0.275	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	141.7	173.8	-75	-108.7	0	0	0	109.8	G245 P264 V265 E266 Q294 V295 M297	G245-Y247 WeakPolarHBondContact O-CD2 3.08Å; Y247-P264 HydrophobicContact CD1-CB 4.07Å; Y247-V265 CarbonylContact C-O 3.57Å; Y247-V265 VanDerWaalsContact CA-O 3.3Å; Y247-V265 WeakPolarHBondContact CA-O 3.2Å; Y247-E266 HydrophobicContact CD1-CB 4.23Å; Y247-E266 HydrophobicContact CD2-CB 4.49Å; Y247-E266 HydrophobicContact CD2-CG 4.46Å; Y247-E266 HydrophobicContact CE1-CB 3.78Å; Y247-E266 HydrophobicContact CE2-CB 4.03Å; Y247-E266 HydrophobicContact CE2-CG 3.89Å; Y247-E266 PolarHBondContact OH-OE2 3.1Å; Y247-Q294 CarbonylContact O-C 3.46Å; Y247-Q294 WeakPolarHBondContact O-CA 3.46Å; Y247-V295 PolarHBondContact O-N 3.09Å; Y247-M297 HydrophobicContact CD1-CG 3.94Å; Y247-M297 HydrophobicContact CD1-SD 4.36Å; Y247-M297 HydrophobicContact CD2-CG 3.62Å; Y247-M297 HydrophobicContact CE1-CG 4.49Å; Y247-M297 HydrophobicContact CE2-CG 4.26Å; Y247-M297 HydrophobicContact CG-CG 3.46Å; Y247-M297 VanDerWaalsContact CG-CG 3.46Å; Y247-M297 HydrophobicContact CG-SD 4.28Å
248	V	97.3	Very high	93.3	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	157.3	-178.8	-55.7	0	0	0	0	112.6	F242 F250 P264 V265 I267 F275 V292 S293	F242-V248 HydrophobicContact CE1-CG1 4.49Å; F242-V248 HydrophobicContact CE2-CG1 4.35Å; F242-V248 HydrophobicContact CZ-CG1 4.33Å; V248-F250 HydrophobicContact CG2-CE2 3.81Å; V248-F250 HydrophobicContact CG2-CZ 3.7Å; V248-P264 WeakPolarHBondContact O-CA 3.47Å; V248-V265 PolarHBondContact N-O 3.39Å; V248-V265 PolarHBondContact O-N 3.27Å; V248-I267 HydrophobicContact CB-CG2 4.24Å; V248-I267 HydrophobicContact CG1-CD1 4.2Å; V248-I267 HydrophobicContact CG1-CG2 3.83Å; V248-I267 HydrophobicContact CG2-CG2 3.45Å; V248-I267 VanDerWaalsContact CG2-CG2 3.45Å; V248-F275 HydrophobicContact CG2-CE2 4.38Å; V248-V292 HydrophobicContact CB-CG2 3.53Å; V248-V292 HydrophobicContact CG1-CG2 3.84Å; V248-V292 HydrophobicContact CG2-CG2 3.75Å; V248-S293 CarbonylContact C-O 3.5Å; V248-S293 VanDerWaalsContact CA-O 3.26Å; V248-S293 WeakPolarHBondContact CA-O 3.18Å
249	T	97.2	Very high	94.4	Very high	31 Å²	31	51.9 Å²	51.9	19%	0.19	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	166.5	167.2	-168.5	0	0	0	0	109.9	C262 V292 S293 V295	T249-C262 PolarHBondContact OG1-O 3.19Å; T249-V292 WeakPolarHBondContact O-CA 3.48Å; T249-S293 PolarHBondContact N-O 2.94Å; T249-S293 PolarHBondContact O-N 3.48Å; T249-V295 HydrophobicContact CG2-CG2 3.84Å
250	F	96.1	Very high	94.6	Very high	1 Å²	1	45.7 Å²	45.7	0%	0.004	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	149.3	-172.3	-57.6	-92	0	0	0	112.5	I221 V232 V248 I253 L259 N260 G261 F275 I277 I291 V292	I221-F250 HydrophobicContact CD1-CD1 3.53Å; I221-F250 HydrophobicContact CD1-CE1 3.85Å; V232-F250 HydrophobicContact CG2-CE1 4.14Å; V232-F250 HydrophobicContact CG2-CZ 4.21Å; V248-F250 HydrophobicContact CG2-CE2 3.81Å; V248-F250 HydrophobicContact CG2-CZ 3.7Å; F250-I253 HydrophobicContact CB-CD1 3.52Å; F250-I253 HydrophobicContact CB-CG1 4.44Å; F250-I253 HydrophobicContact CD1-CD1 3.8Å; F250-I253 HydrophobicContact CG-CD1 3.86Å; F250-L259 HydrophobicContact CB-CB 4.17Å; F250-L259 WeakPolarHBondContact CB-O 3.26Å; F250-L259 HydrophobicContact CD2-CB 4.19Å; F250-L259 HydrophobicContact CD2-CD2 4.16Å; F250-L259 HydrophobicContact CE2-CD2 4.28Å; F250-L259 HydrophobicContact CG-CB 4.24Å; F250-N260 CarbonylContact O-C 3.54Å; F250-N260 WeakPolarHBondContact O-CA 3.35Å; F250-G261 PolarHBondContact O-N 3.46Å; F250-F275 HydrophobicContact CZ-CE2 4.39Å; F250-I277 HydrophobicContact CZ-CD1 4.34Å; F250-I277 HydrophobicContact CZ-CG2 4.02Å; F250-I291 WeakPolarHBondContact CA-O 3.47Å; F250-V292 HydrophobicContact CD1-CB 3.9Å; F250-V292 HydrophobicContact CD1-CG2 4.17Å; F250-V292 HydrophobicContact CE1-CB 3.72Å; F250-V292 HydrophobicContact CE1-CG2 3.71Å; F250-V292 HydrophobicContact CZ-CG2 4.09Å
251	T	94.3	Very high	94.6	Very high	60 Å²	60	48.2 Å²	48.2	37%	0.368	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	161.5	172.7	54.9	0	0	0	0	110.2	I253 N260 G290 I291	T251-I253 PolarHBondContact O-N 2.96Å; T251-N260 WeakPolarHBondContact CA-OD1 3.25Å; T251-G290 CarbonylContact O-C 3.16Å; T251-G290 WeakPolarHBondContact O-CA 3.37Å; T251-I291 PolarHBondContact N-O 3.17Å; T251-I291 PolarHBondContact O-N 3.28Å
252	E	91.1	Very high	94.5	Very high	82 Å²	82	47.3 Å²	47.3	38%	0.383	28%	0.28	S	S	.	.	S	Bend	trans	61.2	13.5	172.9	-52.8	-175.1	179.5	0	0	116.5	Q254 N260 G290 R747	E252-Q254 PolarHBondContact O-N 3.48Å; E252-N260 PolarHBondContact N-OD1 3Å; E252-G290 PolarHBondContact O-N 3.11Å; E252-R747 VanDerWaalsContact CD-NH2 3.32Å; E252-R747 IonicContact OE1-CZ 3.57Å; E252-R747 IonicContact OE1-NH1 3.37Å; E252-R747 IonicContact OE1-NH2 4Å; E252-R747 PolarHBondContact OE1-NH2 3.46Å; E252-R747 IonicContact OE2-CZ 3.64Å; E252-R747 IonicContact OE2-NH1 3.4Å; E252-R747 IonicContact OE2-NH2 2.66Å; E252-R747 PolarHBondContact OE2-NH2 2.97Å
253	I	92.9	Very high	94.5	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.015	31%	0.314	C	S	.	.			trans	-72	125.1	174.9	-62	167.4	0	0	0	109.3	I221 I224 F250 T251 M256 L259 N260 Y286	I221-I253 HydrophobicContact CD1-CD1 4.22Å; I221-I253 HydrophobicContact CD1-CG1 4.26Å; I224-I253 HydrophobicContact CD1-CD1 3.58Å; I224-I253 HydrophobicContact CD1-CG1 4.24Å; I224-I253 HydrophobicContact CD1-CG2 4.4Å; F250-I253 HydrophobicContact CB-CD1 3.52Å; F250-I253 HydrophobicContact CB-CG1 4.44Å; F250-I253 HydrophobicContact CD1-CD1 3.8Å; F250-I253 HydrophobicContact CG-CD1 3.86Å; T251-I253 PolarHBondContact O-N 2.96Å; I253-M256 HydrophobicContact CG2-CB 4.01Å; I253-M256 WeakPolarHBondContact CG2-O 3.48Å; I253-L259 HydrophobicContact CD1-CB 3.64Å; I253-L259 HydrophobicContact CD1-CD1 3.95Å; I253-L259 HydrophobicContact CD1-CG 4.47Å; I253-N260 WeakPolarHBondContact CB-OD1 3.47Å; I253-N260 PolarHBondContact N-ND2 3.09Å; I253-N260 PolarHBondContact N-OD1 3.26Å; I253-N260 PolarHBondContact O-ND2 3.23Å; I253-Y286 HydrophobicContact CG2-CD2 3.92Å; I253-Y286 HydrophobicContact CG2-CE2 4.21Å
254	Q	89.1	Confident	94.5	Very high	110 Å²	110	49.4 Å²	49.4	51%	0.514	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-97	136.1	172.3	-58.7	-177.3	9.7	0	0	110.5	E252 M256 V287 R288	E252-Q254 PolarHBondContact O-N 3.48Å; Q254-M256 PolarHBondContact O-N 3.29Å; Q254-V287 HydrophobicContact CB-CB 4.49Å; Q254-V287 WeakPolarHBondContact O-CB 3.45Å; Q254-V287 PolarHBondContact O-N 3.4Å; Q254-R288 HydrophobicContact CB-CG 4.17Å; Q254-R288 WeakPolarHBondContact CB-O 3.2Å; Q254-R288 HydrophobicContact CG-CG 4.48Å; Q254-R288 PolarHBondContact N-O 2.9Å; Q254-R288 PolarHBondContact O-N 3.2Å
255	G	92.3	Very high	94.5	Very high	28 Å²	28	47 Å²	47	29%	0.289	28%	0.275	S	S	.	.	S	Bend	trans	93.3	-74.3	-174.9	0	0	0	0	0	112.2	T257 S284 D285	G255-T257 PolarHBondContact O-N 3.02Å; G255-S284 WeakPolarHBondContact O-CB 3.43Å; G255-D285 CarbonylContact C-O 3.51Å; G255-D285 WeakPolarHBondContact CA-O 3.36Å
256	M	94.9	Very high	94.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.282	C	S	.	.			trans	-80.4	57.6	179.2	-165.7	177.4	-72	0	0	111.7	I224 K226 I253 Q254 D258 L259 T280 F283 S284 D285	I224-M256 HydrophobicContact CB-SD 4.15Å; I224-M256 HydrophobicContact CG2-CE 4.23Å; I224-M256 HydrophobicContact CG2-SD 3.63Å; K226-M256 HydrophobicContact CB-CE 4.42Å; I253-M256 HydrophobicContact CG2-CB 4.01Å; I253-M256 WeakPolarHBondContact CG2-O 3.48Å; Q254-M256 PolarHBondContact O-N 3.29Å; M256-D258 PolarHBondContact O-N 3.03Å; M256-L259 HydrophobicContact CG-CD1 3.96Å; M256-L259 HydrophobicContact CG-CG 4.3Å; M256-L259 PolarHBondContact O-N 3.12Å; M256-L259 HydrophobicContact SD-CD1 3.54Å; M256-L259 VanDerWaalsContact SD-CD1 3.54Å; M256-L259 HydrophobicContact SD-CG 4.36Å; M256-T280 HydrophobicContact SD-CG2 4.3Å; M256-F283 HydrophobicContact CG-CB 3.82Å; M256-F283 HydrophobicContact CG-CD2 4.13Å; M256-F283 HydrophobicContact CG-CG 4.47Å; M256-F283 HydrophobicContact SD-CB 4.36Å; M256-F283 HydrophobicContact SD-CD2 4.21Å; M256-S284 WeakPolarHBondContact CB-O 3.48Å; M256-S284 VanDerWaalsContact CE-O 3.27Å; M256-S284 WeakPolarHBondContact CE-O 3.48Å; M256-S284 VanDerWaalsContact CG-O 3.32Å; M256-S284 WeakPolarHBondContact CG-O 3.41Å; M256-D285 PolarHBondContact N-O 3.03Å
257	T	94.4	Very high	94.6	Very high	80 Å²	80	49.1 Å²	49.1	49%	0.491	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-69.2	-16.2	-171.5	53.6	0	0	0	0	114.1	G255 L259 N260	G255-T257 PolarHBondContact O-N 3.02Å; T257-L259 PolarHBondContact O-N 2.92Å; T257-L259 VanDerWaalsContact O-N 3.14Å; T257-N260 WeakPolarHBondContact O-CB 3.37Å; T257-N260 PolarHBondContact O-N 2.91Å
258	D	93.9	Very high	94.7	Very high	82 Å²	82	52.1 Å²	52.1	44%	0.439	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-56.1	-25.8	175.8	-53.8	-78.3	0	0	0	112.7	M256 F283 S284	M256-D258 PolarHBondContact O-N 3.03Å; D258-F283 HydrophobicContact CB-CB 4.36Å; D258-F283 HydrophobicContact CB-CD1 3.89Å; D258-F283 HydrophobicContact CB-CD2 4.17Å; D258-F283 HydrophobicContact CB-CE1 4.21Å; D258-F283 HydrophobicContact CB-CE2 4.46Å; D258-F283 HydrophobicContact CB-CG 3.89Å; D258-F283 HydrophobicContact CB-CZ 4.48Å; D258-S284 PolarHBondContact OD2-N 3.01Å
259	L	94.9	Very high	94.7	Very high	2 Å²	2	54 Å²	54	1%	0.01	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-79.3	-25	176.1	-72.9	173.7	0	0	0	113.4	I224 F250 I253 M256 T257 G261 C262 I277 F283	I224-L259 HydrophobicContact CD1-CD1 3.67Å; I224-L259 HydrophobicContact CG2-CD1 4.24Å; F250-L259 HydrophobicContact CB-CB 4.17Å; F250-L259 WeakPolarHBondContact CB-O 3.26Å; F250-L259 HydrophobicContact CD2-CB 4.19Å; F250-L259 HydrophobicContact CD2-CD2 4.16Å; F250-L259 HydrophobicContact CE2-CD2 4.28Å; F250-L259 HydrophobicContact CG-CB 4.24Å; I253-L259 HydrophobicContact CD1-CB 3.64Å; I253-L259 HydrophobicContact CD1-CD1 3.95Å; I253-L259 HydrophobicContact CD1-CG 4.47Å; M256-L259 HydrophobicContact CG-CD1 3.96Å; M256-L259 HydrophobicContact CG-CG 4.3Å; M256-L259 PolarHBondContact O-N 3.12Å; M256-L259 HydrophobicContact SD-CD1 3.54Å; M256-L259 VanDerWaalsContact SD-CD1 3.54Å; M256-L259 HydrophobicContact SD-CG 4.36Å; T257-L259 PolarHBondContact O-N 2.92Å; T257-L259 VanDerWaalsContact O-N 3.14Å; L259-G261 PolarHBondContact O-N 2.92Å; L259-C262 WeakPolarHBondContact O-CB 3.15Å; L259-C262 PolarHBondContact O-N 2.94Å; L259-C262 VanDerWaalsContact O-N 3.15Å; L259-C262 PolarHBondContact O-SG 3.22Å; L259-C262 VanDerWaalsContact O-SG 3.36Å; L259-I277 HydrophobicContact CD1-CD1 4.15Å; L259-I277 HydrophobicContact CD2-CD1 4.06Å; L259-F283 HydrophobicContact CD2-CD2 4.27Å; L259-F283 HydrophobicContact CD2-CE2 3.68Å; L259-F283 HydrophobicContact CG-CD2 4.08Å; L259-F283 HydrophobicContact CG-CE2 3.98Å
260	N	95.1	Very high	94.7	Very high	55 Å²	55	56.9 Å²	56.9	29%	0.294	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-67.3	121.5	-175.6	-70.4	-33.2	0	0	0	110.9	F250 T251 E252 I253 T257 C262	F250-N260 CarbonylContact O-C 3.54Å; F250-N260 WeakPolarHBondContact O-CA 3.35Å; T251-N260 WeakPolarHBondContact CA-OD1 3.25Å; E252-N260 PolarHBondContact N-OD1 3Å; I253-N260 WeakPolarHBondContact CB-OD1 3.47Å; I253-N260 PolarHBondContact N-ND2 3.09Å; I253-N260 PolarHBondContact N-OD1 3.26Å; I253-N260 PolarHBondContact O-ND2 3.23Å; T257-N260 WeakPolarHBondContact O-CB 3.37Å; T257-N260 PolarHBondContact O-N 2.91Å; N260-C262 PolarHBondContact O-N 3.45Å
261	G	91.8	Very high	94.6	Very high	60 Å²	60	57.8 Å²	57.8	62%	0.619	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	20.3	-178	0	0	0	0	0	113.9	F250 L259	F250-G261 PolarHBondContact O-N 3.46Å; L259-G261 PolarHBondContact O-N 2.92Å
262	C	92.9	Very high	94.6	Very high	30 Å²	30	58.1 Å²	58.1	20%	0.203	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-64.8	158.3	176.9	76	0	0	0	0	111.5	T249 L259 N260	T249-C262 PolarHBondContact OG1-O 3.19Å; L259-C262 WeakPolarHBondContact O-CB 3.15Å; L259-C262 PolarHBondContact O-N 2.94Å; L259-C262 VanDerWaalsContact O-N 3.15Å; L259-C262 PolarHBondContact O-SG 3.22Å; L259-C262 VanDerWaalsContact O-SG 3.36Å; N260-C262 PolarHBondContact O-N 3.45Å
263	Q	95.1	Very high	94.8	Very high	162 Å²	162	57.9 Å²	57.9	76%	0.757	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-58	148.5	168.8	-68.1	-60.7	-39.3	0	0	110	V265	Q263-V265 WeakPolarHBondContact O-CG2 3.27Å; Q263-V265 PolarHBondContact O-N 2.92Å
264	P	96.1	Very high	95	Very high	39 Å²	39	59.5 Å²	59.5	25%	0.253	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-53.7	129	-177.4	-25.8	34.1	0	0	0	112	Y247 V248 V295 M297	Y247-P264 HydrophobicContact CD1-CB 4.07Å; V248-P264 WeakPolarHBondContact O-CA 3.47Å; P264-V295 HydrophobicContact CB-CB 4.14Å; P264-V295 HydrophobicContact CB-CG1 4.3Å; P264-V295 HydrophobicContact CB-CG2 4.36Å; P264-V295 HydrophobicContact CG-CB 4.1Å; P264-V295 HydrophobicContact CG-CG1 3.82Å; P264-V295 HydrophobicContact CG-CG2 4.17Å; P264-M297 HydrophobicContact CB-SD 3.89Å; P264-M297 HydrophobicContact CG-SD 4.03Å
265	V	96.1	Very high	95.4	Very high	26 Å²	26	54.3 Å²	54.3	16%	0.158	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	130.5	-178.5	-174.7	0	0	0	0	109.1	Y247 V248 Q263 I277 C278	Y247-V265 CarbonylContact C-O 3.57Å; Y247-V265 VanDerWaalsContact CA-O 3.3Å; Y247-V265 WeakPolarHBondContact CA-O 3.2Å; V248-V265 PolarHBondContact N-O 3.39Å; V248-V265 PolarHBondContact O-N 3.27Å; Q263-V265 WeakPolarHBondContact O-CG2 3.27Å; Q263-V265 PolarHBondContact O-N 2.92Å; V265-I277 HydrophobicContact CG1-CB 4.26Å; V265-C278 HydrophobicContact CG1-CB 3.93Å
266	E	96.8	Very high	95.7	Very high	106 Å²	106	53.5 Å²	53.5	50%	0.495	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	136.6	173.5	-168	174.6	155.6	0	0	110.7	D246 Y247	D246-E266 CarbonylContact O-C 3.56Å; D246-E266 WeakPolarHBondContact O-CA 3.46Å; Y247-E266 HydrophobicContact CD1-CB 4.23Å; Y247-E266 HydrophobicContact CD2-CB 4.49Å; Y247-E266 HydrophobicContact CD2-CG 4.46Å; Y247-E266 HydrophobicContact CE1-CB 3.78Å; Y247-E266 HydrophobicContact CE2-CB 4.03Å; Y247-E266 HydrophobicContact CE2-CG 3.89Å; Y247-E266 PolarHBondContact OH-OE2 3.1Å
267	I	97.6	Very high	95.8	Very high	5 Å²	5	54 Å²	54	3%	0.026	30%	0.303	C	S	.	.			trans	-111.2	155	-178.7	74.9	172	0	0	0	112.4	F242 G245 D246 V248 F275 S276 I277	F242-I267 HydrophobicContact CB-CD1 3.46Å; F242-I267 VanDerWaalsContact CB-CD1 3.46Å; F242-I267 HydrophobicContact CD2-CD1 3.81Å; F242-I267 HydrophobicContact CG-CD1 3.86Å; G245-I267 PolarHBondContact N-O 3.11Å; D246-I267 HydrophobicContact CB-CD1 4.04Å; D246-I267 HydrophobicContact CB-CG1 3.99Å; D246-I267 WeakPolarHBondContact O-CG1 3.5Å; D246-I267 PolarHBondContact O-N 2.59Å; V248-I267 HydrophobicContact CB-CG2 4.24Å; V248-I267 HydrophobicContact CG1-CD1 4.2Å; V248-I267 HydrophobicContact CG1-CG2 3.83Å; V248-I267 HydrophobicContact CG2-CG2 3.45Å; V248-I267 VanDerWaalsContact CG2-CG2 3.45Å; I267-F275 HydrophobicContact CB-CD2 3.87Å; I267-F275 HydrophobicContact CD1-CB 4.39Å; I267-F275 HydrophobicContact CD1-CD2 4.16Å; I267-F275 HydrophobicContact CD1-CG 4.2Å; I267-F275 HydrophobicContact CG2-CD2 3.78Å; I267-F275 HydrophobicContact CG2-CE2 3.97Å; I267-S276 WeakPolarHBondContact CA-O 3.49Å; I267-I277 HydrophobicContact CG2-CG2 4.2Å
268	K	98	Very high	95.8	Very high	133 Å²	133	52.5 Å²	52.5	58%	0.578	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.5	121	165.9	177.8	-178.7	-179.9	-178.7	0	109.9	L270 F275 S276	K268-L270 PolarHBondContact O-N 2.9Å; K268-F275 CarbonylContact O-C 3.6Å; K268-F275 VanDerWaalsContact O-CA 3.27Å; K268-F275 WeakPolarHBondContact O-CA 3.31Å; K268-F275 WeakPolarHBondContact O-CB 3.39Å; K268-S276 PolarHBondContact N-O 3.48Å; K268-S276 VanDerWaalsContact N-O 3.12Å; K268-S276 PolarHBondContact O-N 3.33Å
269	V	97.6	Very high	95.9	Very high	40 Å²	40	51.7 Å²	51.7	24%	0.242	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	128.8	-178.7	177	0	0	0	0	109.7	F242 S244 G271	F242-V269 WeakPolarHBondContact O-CG2 3.45Å; S244-V269 PolarHBondContact OG-N 3.12Å; V269-G271 WeakPolarHBondContact CG1-O 3.47Å
270	L	96.9	Very high	96	Very high	90 Å²	90	51.6 Å²	51.6	47%	0.471	29%	0.29	S	S	.	.			trans	-105.9	-22.9	179.2	-58.7	178.5	0	0	0	112	V231 K268 T274	V231-L270 HydrophobicContact CG1-CD1 4.03Å; V231-L270 HydrophobicContact CG2-CD1 3.99Å; K268-L270 PolarHBondContact O-N 2.9Å; L270-T274 PolarHBondContact N-O 3.44Å
271	G	94.7	Very high	96	Very high	21 Å²	21	52.4 Å²	52.4	22%	0.216	30%	0.297	C	S	.	.	S	Bend	trans	-175.2	-172.8	176.8	0	0	0	0	0	110.6	H240 V269 Y273 T274	H240-G271 PolarHBondContact CE1-O 3.16Å; H240-G271 PolarHBondContact NE2-O 3.12Å; V269-G271 WeakPolarHBondContact CG1-O 3.47Å; G271-Y273 PolarHBondContact O-N 3.02Å; G271-T274 PolarHBondContact N-O 3.28Å
272	P	94.3	Very high	96.2	Very high	67 Å²	67	52.9 Å²	52.9	44%	0.435	30%	0.302	S	S	.	.	S	Bend	trans	-69.2	-14.9	-178.9	25.5	-33.4	0	0	0	115	R239 H240	R239-P272 WeakPolarHBondContact CA-O 3.35Å; R239-P272 HydrophobicContact CG-CB 4.2Å; H240-P272 PolarHBondContact CD2-O 3.26Å; H240-P272 VanDerWaalsContact CD2-O 3.28Å; H240-P272 PolarHBondContact N-O 2.87Å; H240-P272 PolarHBondContact NE2-O 3.05Å
273	Y	95.8	Very high	96.3	Very high	76 Å²	76	54 Å²	54	30%	0.298	30%	0.304	S	S	.	.	S	Bend	trans	-126	-0.5	-177.2	-56.6	-72.6	0	0	0	113	C234 D236 R239 G271	C234-Y273 PolarHBondContact N-O 3.41Å; D236-Y273 WeakPolarHBondContact O-CE1 3.5Å; R239-Y273 HydrophobicContact CB-CE1 4.44Å; R239-Y273 HydrophobicContact CG-CE1 3.8Å; G271-Y273 PolarHBondContact O-N 3.02Å
274	T	96.9	Very high	96.3	Very high	38 Å²	38	49 Å²	49	23%	0.233	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	140.1	-172.2	52.9	0	0	0	0	112	V232 T233 L270 G271	V232-T274 VanDerWaalsContact O-CA 3.28Å; V232-T274 WeakPolarHBondContact O-CA 3.21Å; T233-T274 HydrophobicContact CG2-CG2 3.98Å; L270-T274 PolarHBondContact N-O 3.44Å; G271-T274 PolarHBondContact N-O 3.28Å
275	F	97.8	Very high	96.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	155.2	174.1	59.5	-89.5	0	0	0	110.2	V232 H240 F242 V248 F250 I267 K268 I277 V292	V232-F275 HydrophobicContact CB-CD1 4.48Å; V232-F275 HydrophobicContact CB-CD2 4.21Å; V232-F275 HydrophobicContact CB-CE1 4Å; V232-F275 HydrophobicContact CB-CE2 3.71Å; V232-F275 HydrophobicContact CB-CZ 3.58Å; V232-F275 HydrophobicContact CG1-CE1 3.91Å; V232-F275 HydrophobicContact CG1-CE2 4.19Å; V232-F275 HydrophobicContact CG1-CZ 3.56Å; V232-F275 HydrophobicContact CG2-CD2 4.44Å; V232-F275 HydrophobicContact CG2-CE2 3.78Å; V232-F275 HydrophobicContact CG2-CZ 4.02Å; V232-F275 PolarHBondContact N-O 3.01Å; V232-F275 PolarHBondContact O-N 3.18Å; V232-F275 VanDerWaalsContact O-N 3.14Å; H240-F275 AromaticContact CD2-CD1 3.98Å; F242-F275 HydrophobicContact CD2-CD1 4.11Å; F242-F275 AromaticContact CD2-CE1 3.94Å; F242-F275 HydrophobicContact CD2-CE1 3.94Å; F242-F275 HydrophobicContact CD2-CZ 4.45Å; F242-F275 HydrophobicContact CE2-CD1 4.41Å; F242-F275 AromaticContact CE2-CE1 3.78Å; F242-F275 HydrophobicContact CE2-CE1 3.78Å; F242-F275 HydrophobicContact CE2-CZ 4.11Å; V248-F275 HydrophobicContact CG2-CE2 4.38Å; F250-F275 HydrophobicContact CZ-CE2 4.39Å; I267-F275 HydrophobicContact CB-CD2 3.87Å; I267-F275 HydrophobicContact CD1-CB 4.39Å; I267-F275 HydrophobicContact CD1-CD2 4.16Å; I267-F275 HydrophobicContact CD1-CG 4.2Å; I267-F275 HydrophobicContact CG2-CD2 3.78Å; I267-F275 HydrophobicContact CG2-CE2 3.97Å; K268-F275 CarbonylContact O-C 3.6Å; K268-F275 VanDerWaalsContact O-CA 3.27Å; K268-F275 WeakPolarHBondContact O-CA 3.31Å; K268-F275 WeakPolarHBondContact O-CB 3.39Å; F275-I277 HydrophobicContact CD2-CG2 3.87Å; F275-I277 HydrophobicContact CE2-CG2 3.68Å; F275-V292 HydrophobicContact CE1-CG1 4.38Å; F275-V292 HydrophobicContact CZ-CB 4.36Å; F275-V292 HydrophobicContact CZ-CG1 4.1Å; F275-V292 HydrophobicContact CZ-CG2 3.93Å
276	S	97.9	Very high	96.1	Very high	12 Å²	12	53.1 Å²	53.1	8%	0.084	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	150.5	175.4	68.4	0	0	0	0	112	G230 I267 K268	G230-S276 CarbonylContact O-C 3.59Å; G230-S276 WeakPolarHBondContact O-CA 3.45Å; I267-S276 WeakPolarHBondContact CA-O 3.49Å; K268-S276 PolarHBondContact N-O 3.48Å; K268-S276 VanDerWaalsContact N-O 3.12Å; K268-S276 PolarHBondContact O-N 3.33Å
277	I	97.3	Very high	95.7	Very high	10 Å²	10	52.4 Å²	52.4	5%	0.051	31%	0.305	C	S	.	.			trans	-124.1	-158.7	179.4	58.1	168.9	0	0	0	110.8	I224 P229 G230 V232 F250 L259 V265 I267 F275 T280	I224-I277 HydrophobicContact CG2-CD1 4.48Å; P229-I277 VanDerWaalsContact CB-O 3.27Å; P229-I277 WeakPolarHBondContact CB-O 3.38Å; G230-I277 WeakPolarHBondContact O-CG1 3.45Å; G230-I277 PolarHBondContact O-N 3.16Å; V232-I277 HydrophobicContact CG2-CD1 3.89Å; V232-I277 HydrophobicContact CG2-CG1 4.21Å; V232-I277 HydrophobicContact CG2-CG2 3.97Å; F250-I277 HydrophobicContact CZ-CD1 4.34Å; F250-I277 HydrophobicContact CZ-CG2 4.02Å; L259-I277 HydrophobicContact CD1-CD1 4.15Å; L259-I277 HydrophobicContact CD2-CD1 4.06Å; V265-I277 HydrophobicContact CG1-CB 4.26Å; I267-I277 HydrophobicContact CG2-CG2 4.2Å; F275-I277 HydrophobicContact CD2-CG2 3.87Å; F275-I277 HydrophobicContact CE2-CG2 3.68Å; I277-T280 HydrophobicContact CD1-CG2 3.8Å; I277-T280 HydrophobicContact CG1-CG2 4.21Å
278	C	94.6	Very high	95.1	Very high	48 Å²	48	57.6 Å²	57.6	32%	0.324	33%	0.325	S	S	.	.	S	Bend	trans	-64.2	177.1	174.6	64.1	0	0	0	0	113.1	G230 V265 T280	G230-C278 PolarHBondContact N-O 3.12Å; V265-C278 HydrophobicContact CG1-CB 3.93Å; C278-T280 PolarHBondContact O-N 2.89Å
279	D	96.7	Very high	94.5	Very high	65 Å²	65	52.7 Å²	52.7	35%	0.348	31%	0.312	S	S	.	.			trans	-63.4	120.2	172	-174	-11.5	0	0	0	110.2	N228 T281	N228-D279 HydrophobicContact CB-CB 4.37Å; N228-D279 VanDerWaalsContact ND2-CG 3.33Å; N228-D279 PolarHBondContact ND2-OD2 3.42Å; D279-T281 VanDerWaalsContact OD1-CB 3.28Å; D279-T281 WeakPolarHBondContact OD1-CB 3.3Å; D279-T281 VanDerWaalsContact OD1-CG2 3.28Å; D279-T281 WeakPolarHBondContact OD1-CG2 3.36Å; D279-T281 PolarHBondContact OD1-N 3.47Å; D279-T281 PolarHBondContact OD1-OG1 3.35Å; D279-T281 PolarHBondContact OD2-OG1 3.49Å
280	T	96.6	Very high	94.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	30%	0.303	C	S	.	.			trans	-106.3	2.3	178.8	57	0	0	0	0	112.8	T225 K226 D227 G230 M256 I277 C278 G282 F283	T225-T280 PolarHBondContact O-OG1 3.2Å; K226-T280 WeakPolarHBondContact CA-OG1 3.43Å; K226-T280 WeakPolarHBondContact CG-O 3.34Å; D227-T280 PolarHBondContact N-OG1 3.1Å; D227-T280 PolarHBondContact O-N 3.44Å; D227-T280 PolarHBondContact O-OG1 3.28Å; D227-T280 VanDerWaalsContact O-OG1 3.12Å; G230-T280 WeakPolarHBondContact CA-OG1 3.49Å; M256-T280 HydrophobicContact SD-CG2 4.3Å; I277-T280 HydrophobicContact CD1-CG2 3.8Å; I277-T280 HydrophobicContact CG1-CG2 4.21Å; C278-T280 PolarHBondContact O-N 2.89Å; T280-G282 PolarHBondContact O-N 2.82Å; T280-G282 VanDerWaalsContact O-N 3.15Å; T280-F283 HydrophobicContact CG2-CD2 3.91Å; T280-F283 HydrophobicContact CG2-CE2 4.08Å; T280-F283 WeakPolarHBondContact O-CB 3.27Å; T280-F283 PolarHBondContact O-N 3.19Å
281	T	95.6	Very high	93.9	Very high	72 Å²	72	48.5 Å²	48.5	44%	0.442	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-31.1	-175.8	58.1	0	0	0	0	113.5	K226 N228 D279	K226-T281 WeakPolarHBondContact CE-O 3.37Å; N228-T281 HydrophobicContact CB-CG2 4.23Å; D279-T281 VanDerWaalsContact OD1-CB 3.28Å; D279-T281 WeakPolarHBondContact OD1-CB 3.3Å; D279-T281 VanDerWaalsContact OD1-CG2 3.28Å; D279-T281 WeakPolarHBondContact OD1-CG2 3.36Å; D279-T281 PolarHBondContact OD1-N 3.47Å; D279-T281 PolarHBondContact OD1-OG1 3.35Å; D279-T281 PolarHBondContact OD2-OG1 3.49Å
282	G	94.3	Very high	93.9	Very high	71 Å²	71	47.5 Å²	47.5	73%	0.732	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-4.7	177.4	0	0	0	0	0	115.6	T280	T280-G282 PolarHBondContact O-N 2.82Å; T280-G282 VanDerWaalsContact O-N 3.15Å
283	F	95.6	Very high	94	Very high	53 Å²	53	46 Å²	46	23%	0.232	27%	0.271	C	S	.	.	S	Bend	trans	-90.2	167.9	-174.4	-62.5	-10.6	0	0	0	113	K226 M256 D258 L259 T280	K226-F283 WeakPolarHBondContact CE-O 3.48Å; K226-F283 PolarHBondContact NZ-O 3.46Å; M256-F283 HydrophobicContact CG-CB 3.82Å; M256-F283 HydrophobicContact CG-CD2 4.13Å; M256-F283 HydrophobicContact CG-CG 4.47Å; M256-F283 HydrophobicContact SD-CB 4.36Å; M256-F283 HydrophobicContact SD-CD2 4.21Å; D258-F283 HydrophobicContact CB-CB 4.36Å; D258-F283 HydrophobicContact CB-CD1 3.89Å; D258-F283 HydrophobicContact CB-CD2 4.17Å; D258-F283 HydrophobicContact CB-CE1 4.21Å; D258-F283 HydrophobicContact CB-CE2 4.46Å; D258-F283 HydrophobicContact CB-CG 3.89Å; D258-F283 HydrophobicContact CB-CZ 4.48Å; L259-F283 HydrophobicContact CD2-CD2 4.27Å; L259-F283 HydrophobicContact CD2-CE2 3.68Å; L259-F283 HydrophobicContact CG-CD2 4.08Å; L259-F283 HydrophobicContact CG-CE2 3.98Å; T280-F283 HydrophobicContact CG2-CD2 3.91Å; T280-F283 HydrophobicContact CG2-CE2 4.08Å; T280-F283 WeakPolarHBondContact O-CB 3.27Å; T280-F283 PolarHBondContact O-N 3.19Å
284	S	94.4	Very high	94	Very high	58 Å²	58	43 Å²	43	41%	0.406	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-65.7	156.6	171.5	-61.5	0	0	0	0	111.9	G255 M256 D258	G255-S284 WeakPolarHBondContact O-CB 3.43Å; M256-S284 WeakPolarHBondContact CB-O 3.48Å; M256-S284 VanDerWaalsContact CE-O 3.27Å; M256-S284 WeakPolarHBondContact CE-O 3.48Å; M256-S284 VanDerWaalsContact CG-O 3.32Å; M256-S284 WeakPolarHBondContact CG-O 3.41Å; D258-S284 PolarHBondContact OD2-N 3.01Å
285	D	94.5	Very high	94	Very high	107 Å²	107	43.3 Å²	43.3	57%	0.572	26%	0.261	S	S	*	.	P	Polyproline II helix	trans	-69.5	137.7	-179.3	-62.3	-28	0	0	0	111	K226 G255 M256	K226-D285 WeakPolarHBondContact CD-OD1 3.5Å; K226-D285 IonicContact NZ-OD1 3.77Å; K226-D285 PolarHBondContact NZ-OD1 3.02Å; G255-D285 CarbonylContact C-O 3.51Å; G255-D285 WeakPolarHBondContact CA-O 3.36Å; M256-D285 PolarHBondContact N-O 3.03Å
286	Y	94.2	Very high	93.7	Very high	43 Å²	43	45.5 Å²	45.5	17%	0.169	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-66.6	135	174.4	172.9	-93.6	0	0	0	110.6	I221 S222 M223 I224 I253 R288 G289	I221-Y286 HydrophobicContact CG2-CE2 4.22Å; S222-Y286 VanDerWaalsContact C-OH 3.27Å; S222-Y286 VanDerWaalsContact O-CE1 3.26Å; S222-Y286 WeakPolarHBondContact O-CE1 3.31Å; S222-Y286 PolarHBondContact O-OH 3.48Å; M223-Y286 HydrophobicContact CB-CE1 4.48Å; I224-Y286 HydrophobicContact CB-CD2 4.09Å; I224-Y286 HydrophobicContact CB-CG 4.26Å; I224-Y286 HydrophobicContact CD1-CD2 4.07Å; I224-Y286 HydrophobicContact CD1-CE2 4.38Å; I224-Y286 HydrophobicContact CG1-CD2 3.88Å; I224-Y286 HydrophobicContact CG1-CE2 4.16Å; I224-Y286 HydrophobicContact CG1-CG 4.49Å; I253-Y286 HydrophobicContact CG2-CD2 3.92Å; I253-Y286 HydrophobicContact CG2-CE2 4.21Å; Y286-R288 VanDerWaalsContact CZ-CA 3.43Å; Y286-R288 VanDerWaalsContact OH-C 3.26Å; Y286-R288 WeakPolarHBondContact OH-CA 3.39Å; Y286-G289 VanDerWaalsContact CE2-O 3.29Å; Y286-G289 WeakPolarHBondContact CE2-O 3.27Å; Y286-G289 PolarHBondContact OH-N 2.94Å; Y286-G289 PolarHBondContact OH-O 3.23Å
287	V	89.2	Confident	93.6	Very high	91 Å²	91	49 Å²	49	55%	0.552	29%	0.287	S	S	*	.			trans	-108.6	-58.7	177.2	177.7	0	0	0	0	111.1	Q254	Q254-V287 HydrophobicContact CB-CB 4.49Å; Q254-V287 WeakPolarHBondContact O-CB 3.45Å; Q254-V287 PolarHBondContact O-N 3.4Å
288	R	84.4	Confident	93.5	Very high	115 Å²	115	52 Å²	52	43%	0.434	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-170.4	168.3	-179.1	64.4	-176.3	63.6	-177.3	1.8	112.2	Q254 Y286	Q254-R288 HydrophobicContact CB-CG 4.17Å; Q254-R288 WeakPolarHBondContact CB-O 3.2Å; Q254-R288 HydrophobicContact CG-CG 4.48Å; Q254-R288 PolarHBondContact N-O 2.9Å; Q254-R288 PolarHBondContact O-N 3.2Å; Y286-R288 VanDerWaalsContact CZ-CA 3.43Å; Y286-R288 VanDerWaalsContact OH-C 3.26Å; Y286-R288 WeakPolarHBondContact OH-CA 3.39Å
289	G	85.2	Confident	93.5	Very high	30 Å²	30	55 Å²	55	31%	0.309	31%	0.314	S	S	.	.			trans	71.7	-168.4	168.9	0	0	0	0	0	113	Y286	Y286-G289 VanDerWaalsContact CE2-O 3.29Å; Y286-G289 WeakPolarHBondContact CE2-O 3.27Å; Y286-G289 PolarHBondContact OH-N 2.94Å; Y286-G289 PolarHBondContact OH-O 3.23Å
290	G	90.7	Very high	93.5	Very high	6 Å²	6	57.5 Å²	57.5	6%	0.062	32%	0.322	C	S	.	.			trans	112.3	144.6	178.8	0	0	0	0	0	113.2	I221 T251 E252	I221-G290 WeakPolarHBondContact CB-O 3.46Å; I221-G290 PolarHBondContact N-O 3.31Å; T251-G290 CarbonylContact O-C 3.16Å; T251-G290 WeakPolarHBondContact O-CA 3.37Å; E252-G290 PolarHBondContact O-N 3.11Å
291	I	92.1	Very high	93.5	Very high	35 Å²	35	58.1 Å²	58.1	18%	0.179	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	127.8	175.1	-57.7	171.5	0	0	0	106.6	S218 A219 F250 T251	S218-I291 WeakPolarHBondContact OG-CG2 3.45Å; A219-I291 WeakPolarHBondContact O-CA 3.42Å; F250-I291 WeakPolarHBondContact CA-O 3.47Å; T251-I291 PolarHBondContact N-O 3.17Å; T251-I291 PolarHBondContact O-N 3.28Å
292	V	95.1	Very high	93.6	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	134.9	168.3	55	0	0	0	0	109.2	S218 A219 I221 F242 V248 T249 F250 F275	S218-V292 CarbonylContact C-O 3.5Å; S218-V292 VanDerWaalsContact CA-O 3.24Å; S218-V292 WeakPolarHBondContact CA-O 3.42Å; S218-V292 PolarHBondContact OG-O 2.96Å; S218-V292 VanDerWaalsContact OG-O 3.12Å; A219-V292 HydrophobicContact CB-CG1 3.85Å; A219-V292 PolarHBondContact N-O 3.18Å; A219-V292 VanDerWaalsContact O-CG1 3.29Å; A219-V292 WeakPolarHBondContact O-CG1 3.23Å; A219-V292 PolarHBondContact O-N 3.12Å; I221-V292 HydrophobicContact CD1-CB 4.15Å; I221-V292 HydrophobicContact CG1-CB 4.37Å; I221-V292 HydrophobicContact CG1-CG1 4.21Å; F242-V292 HydrophobicContact CE2-CG1 3.86Å; F242-V292 HydrophobicContact CE2-CG2 4.06Å; F242-V292 HydrophobicContact CZ-CG1 3.96Å; F242-V292 HydrophobicContact CZ-CG2 4.05Å; V248-V292 HydrophobicContact CB-CG2 3.53Å; V248-V292 HydrophobicContact CG1-CG2 3.84Å; V248-V292 HydrophobicContact CG2-CG2 3.75Å; T249-V292 WeakPolarHBondContact O-CA 3.48Å; F250-V292 HydrophobicContact CD1-CB 3.9Å; F250-V292 HydrophobicContact CD1-CG2 4.17Å; F250-V292 HydrophobicContact CE1-CB 3.72Å; F250-V292 HydrophobicContact CE1-CG2 3.71Å; F250-V292 HydrophobicContact CZ-CG2 4.09Å; F275-V292 HydrophobicContact CE1-CG1 4.38Å; F275-V292 HydrophobicContact CZ-CB 4.36Å; F275-V292 HydrophobicContact CZ-CG1 4.1Å; F275-V292 HydrophobicContact CZ-CG2 3.93Å
293	S	95.4	Very high	93.8	Very high	37 Å²	37	55.1 Å²	55.1	26%	0.259	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	132.3	178.6	-56.8	0	0	0	0	110.7	S218 V248 T249	S218-S293 PolarHBondContact OG-OG 3.32Å; V248-S293 CarbonylContact C-O 3.5Å; V248-S293 VanDerWaalsContact CA-O 3.26Å; V248-S293 WeakPolarHBondContact CA-O 3.18Å; T249-S293 PolarHBondContact N-O 2.94Å; T249-S293 PolarHBondContact O-N 3.48Å
294	Q	96.5	Very high	94	Very high	13 Å²	13	55.2 Å²	55.2	6%	0.061	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	144.5	175.7	-168.4	-176.4	23	0	0	110.4	P216 L217 F242 D246 Y247	P216-Q294 HydrophobicContact CB-CB 4.19Å; P216-Q294 WeakPolarHBondContact CB-O 3.39Å; L217-Q294 HydrophobicContact CB-CB 4.42Å; L217-Q294 VanDerWaalsContact N-OE1 3.12Å; L217-Q294 WeakPolarHBondContact O-CB 3.35Å; L217-Q294 PolarHBondContact O-N 3.16Å; F242-Q294 HydrophobicContact CD1-CB 4.3Å; F242-Q294 HydrophobicContact CE1-CB 3.96Å; D246-Q294 PolarHBondContact OD1-NE2 2.73Å; D246-Q294 PolarHBondContact OD2-NE2 2.89Å; D246-Q294 VanDerWaalsContact OD2-NE2 3.11Å; Y247-Q294 CarbonylContact O-C 3.46Å; Y247-Q294 WeakPolarHBondContact O-CA 3.46Å
295	V	95.4	Very high	94.2	Very high	44 Å²	44	53.6 Å²	53.6	27%	0.267	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	122.6	173.5	-176	0	0	0	0	108.1	Y247 T249 P264 M297	Y247-V295 PolarHBondContact O-N 3.09Å; T249-V295 HydrophobicContact CG2-CG2 3.84Å; P264-V295 HydrophobicContact CB-CB 4.14Å; P264-V295 HydrophobicContact CB-CG1 4.3Å; P264-V295 HydrophobicContact CB-CG2 4.36Å; P264-V295 HydrophobicContact CG-CB 4.1Å; P264-V295 HydrophobicContact CG-CG1 3.82Å; P264-V295 HydrophobicContact CG-CG2 4.17Å; V295-M297 HydrophobicContact CG1-SD 4.06Å; V295-M297 PolarHBondContact O-N 2.87Å
296	K	93.1	Very high	94.3	Very high	45 Å²	45	48.5 Å²	48.5	20%	0.196	26%	0.257	C	S	.	.			trans	-78.2	114	175.9	-60.3	-61.6	-173.6	-174.6	0	109	N212	N212-K296 PolarHBondContact ND2-NZ 3.05Å; N212-K296 PolarHBondContact OD1-NZ 3.41Å
297	M	94.4	Very high	94.4	Very high	86 Å²	86	48.4 Å²	48.4	42%	0.424	26%	0.262	S	S	.	.			trans	-85.2	135	178.8	-61.6	-55.1	-68.7	0	0	110.6	Y247 P264 V295 K299	Y247-M297 HydrophobicContact CD1-CG 3.94Å; Y247-M297 HydrophobicContact CD1-SD 4.36Å; Y247-M297 HydrophobicContact CD2-CG 3.62Å; Y247-M297 HydrophobicContact CE1-CG 4.49Å; Y247-M297 HydrophobicContact CE2-CG 4.26Å; Y247-M297 HydrophobicContact CG-CG 3.46Å; Y247-M297 VanDerWaalsContact CG-CG 3.46Å; Y247-M297 HydrophobicContact CG-SD 4.28Å; P264-M297 HydrophobicContact CB-SD 3.89Å; P264-M297 HydrophobicContact CG-SD 4.03Å; V295-M297 HydrophobicContact CG1-SD 4.06Å; V295-M297 PolarHBondContact O-N 2.87Å; M297-K299 PolarHBondContact O-N 3.03Å
298	P	95.1	Very high	94.7	Very high	74 Å²	74	46.6 Å²	46.6	48%	0.481	25%	0.254	S	S	.	.			trans	-60.3	135.5	175.1	-22.2	32.4	0	0	0	111.8	I207 V208 Y209	I207-P298 HydrophobicContact CG2-CB 3.77Å; V208-P298 CarbonylContact O-C 3.58Å; V208-P298 WeakPolarHBondContact O-CA 3.39Å; Y209-P298 HydrophobicContact CD1-CB 4.23Å; Y209-P298 HydrophobicContact CD1-CG 4.11Å
299	K	95.4	Very high	95.4	Very high	110 Å²	110	41.1 Å²	41.1	48%	0.478	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	126.7	178.1	-173.9	175.8	-178.9	178.1	0	110.2	V208 T211 M297 I301	V208-K299 PolarHBondContact N-O 2.65Å; V208-K299 PolarHBondContact O-N 3.2Å; T211-K299 HydrophobicContact CG2-CB 4.25Å; T211-K299 HydrophobicContact CG2-CD 4.2Å; M297-K299 PolarHBondContact O-N 3.03Å; K299-I301 HydrophobicContact CD-CG2 4.35Å; K299-I301 HydrophobicContact CG-CG2 4.17Å
300	K	97.1	Very high	95.9	Very high	118 Å²	118	40 Å²	40	51%	0.513	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	130.4	170.9	-176.7	170.1	170.5	163.3	0	109.6	E205 M206	E205-K300 HydrophobicContact CG-CD 4.18Å; E205-K300 HydrophobicContact CG-CG 4.39Å; E205-K300 WeakPolarHBondContact OE1-CE 3.32Å; E205-K300 IonicContact OE1-NZ 3.76Å; E205-K300 PolarHBondContact OE1-NZ 3.43Å; E205-K300 WeakPolarHBondContact OE2-CE 3.17Å; E205-K300 IonicContact OE2-NZ 2.77Å; E205-K300 PolarHBondContact OE2-NZ 3.04Å; M206-K300 CarbonylContact O-C 3.57Å; M206-K300 WeakPolarHBondContact O-CA 3.34Å
301	I	96.8	Very high	96.1	Very high	12 Å²	12	42 Å²	42	6%	0.062	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	158	175.4	63.1	174.1	0	0	0	110.2	M206 V208 K299 F303 P419 M421	M206-I301 HydrophobicContact CB-CG1 3.95Å; M206-I301 HydrophobicContact CG-CG1 4.38Å; M206-I301 PolarHBondContact N-O 2.95Å; M206-I301 PolarHBondContact O-N 3.27Å; M206-I301 HydrophobicContact SD-CD1 4.23Å; V208-I301 HydrophobicContact CG2-CD1 3.6Å; V208-I301 HydrophobicContact CG2-CG1 4.06Å; K299-I301 HydrophobicContact CD-CG2 4.35Å; K299-I301 HydrophobicContact CG-CG2 4.17Å; I301-F303 HydrophobicContact CD1-CE2 3.54Å; I301-F303 HydrophobicContact CD1-CZ 3.84Å; I301-F303 HydrophobicContact CG1-CE2 3.88Å; I301-P419 HydrophobicContact CD1-CG 3.91Å; I301-M421 HydrophobicContact CB-CE 4.34Å; I301-M421 HydrophobicContact CB-SD 4.4Å; I301-M421 HydrophobicContact CD1-SD 4.02Å
302	S	97.7	Very high	96.3	Very high	72 Å²	72	45.2 Å²	45.2	50%	0.503	25%	0.25	S	C	.	.			trans	-131.5	136.1	-175.9	-58.7	0	0	0	0	110.1	E204 M421	E204-S302 WeakPolarHBondContact O-CA 3.2Å; E204-S302 WeakPolarHBondContact O-CB 3.31Å; E204-S302 PolarHBondContact O-OG 3.5Å; S302-M421 WeakPolarHBondContact O-CE 3.3Å
303	F	98.5	Very high	96.4	Very high	9 Å²	9	45.5 Å²	45.5	4%	0.039	25%	0.251	C	S	.	.			trans	-105.8	154.2	176.3	-68.3	-102.9	0	0	0	110.8	H180 C200 D201 F202 G203 M206 I301 P419 M421 Q422	H180-F303 PolarHBondContact CE1-O 3.48Å; C200-F303 HydrophobicContact CB-CE1 4.4Å; C200-F303 VanDerWaalsContact O-CD1 3.28Å; C200-F303 WeakPolarHBondContact O-CD1 3.33Å; D201-F303 WeakPolarHBondContact OD1-CB 3.34Å; F202-F303 HydrophobicContact CB-CD2 3.8Å; F202-F303 HydrophobicContact CB-CE2 3.68Å; F202-F303 HydrophobicContact CB-CG 4.38Å; F202-F303 HydrophobicContact CB-CZ 4.15Å; F202-F303 HydrophobicContact CD2-CE1 4.44Å; F202-F303 HydrophobicContact CD2-CE2 4.16Å; F202-F303 AromaticContact CD2-CZ 3.86Å; F202-F303 HydrophobicContact CD2-CZ 3.86Å; F202-F303 HydrophobicContact CG-CE2 4.28Å; F202-F303 HydrophobicContact CG-CZ 4.26Å; G203-F303 PolarHBondContact O-N 3.05Å; M206-F303 HydrophobicContact CB-CE2 4.47Å; M206-F303 HydrophobicContact SD-CE2 4.15Å; I301-F303 HydrophobicContact CD1-CE2 3.54Å; I301-F303 HydrophobicContact CD1-CZ 3.84Å; I301-F303 HydrophobicContact CG1-CE2 3.88Å; F303-P419 HydrophobicContact CE1-CB 4.46Å; F303-P419 HydrophobicContact CZ-CB 3.82Å; F303-P419 HydrophobicContact CZ-CG 4.1Å; F303-M421 HydrophobicContact CE1-CE 4.27Å; F303-M421 HydrophobicContact CE1-CG 3.79Å; F303-M421 HydrophobicContact CE2-CE 4.31Å; F303-M421 HydrophobicContact CZ-CE 4.14Å; F303-M421 HydrophobicContact CZ-CG 3.83Å; F303-M421 HydrophobicContact CZ-SD 4.31Å; F303-Q422 HydrophobicContact CD1-CG 3.84Å; F303-Q422 HydrophobicContact CE1-CG 4.3Å
304	K	98.4	Very high	96.5	Very high	55 Å²	55	47.2 Å²	47.2	24%	0.239	26%	0.258	C	S	.	.			trans	-87.4	150.3	168.5	-60.7	-178.3	-170	-178.1	0	107.4	E312 D314	K304-E312 PolarHBondContact NZ-O 2.65Å; K304-E312 IonicContact NZ-OE2 2.67Å; K304-E312 PolarHBondContact NZ-OE2 2.83Å; K304-D314 IonicContact NZ-OD2 2.9Å
305	S	98.3	Very high	96.6	Very high	24 Å²	24	49.7 Å²	49.7	17%	0.168	27%	0.269	C	S	.	.			trans	-62	160.5	170.5	92.5	0	0	0	0	110.8	D177 D201 S307 S308 S309	D177-S305 VanDerWaalsContact OD1-CB 3.27Å; D177-S305 WeakPolarHBondContact OD1-CB 3.42Å; D177-S305 PolarHBondContact OD1-OG 3.2Å; D201-S305 WeakPolarHBondContact OD2-CA 3.31Å; S305-S307 VanDerWaalsContact C-N 3.31Å; S305-S307 PolarHBondContact O-N 3.14Å; S305-S308 PolarHBondContact O-N 2.96Å; S305-S308 VanDerWaalsContact O-N 3.16Å; S305-S308 PolarHBondContact OG-N 2.96Å; S305-S309 VanDerWaalsContact O-CB 3.3Å; S305-S309 WeakPolarHBondContact O-CB 3.5Å; S305-S309 PolarHBondContact O-N 3Å
306	L	96.8	Very high	96.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-53.8	-48.1	179.1	-168.9	148.1	0	0	0	111.7	Q172 K173 L186 V188 F199 S308 S309 M310	Q172-L306 HydrophobicContact CB-CD1 4.16Å; K173-L306 HydrophobicContact CB-CD2 4.36Å; K173-L306 HydrophobicContact CG-CD2 3.59Å; L186-L306 HydrophobicContact CD2-CD1 4.14Å; V188-L306 HydrophobicContact CG2-CD1 3.89Å; F199-L306 HydrophobicContact CD1-CD1 3.87Å; F199-L306 HydrophobicContact CD1-CG 4.21Å; F199-L306 HydrophobicContact CE1-CB 3.77Å; F199-L306 HydrophobicContact CE1-CD1 3.88Å; F199-L306 HydrophobicContact CE1-CG 3.87Å; F199-L306 HydrophobicContact CZ-CB 4.15Å; F199-L306 HydrophobicContact CZ-CG 4.4Å; L306-S308 PolarHBondContact O-N 2.98Å; L306-S309 PolarHBondContact O-N 2.93Å; L306-M310 HydrophobicContact CD2-CG 4.02Å; L306-M310 HydrophobicContact CD2-SD 3.51Å; L306-M310 VanDerWaalsContact CD2-SD 3.51Å; L306-M310 WeakPolarHBondContact O-CB 3.42Å; L306-M310 VanDerWaalsContact O-CG 3.27Å; L306-M310 WeakPolarHBondContact O-CG 3.22Å; L306-M310 PolarHBondContact O-N 3.07Å
307	S	96.4	Very high	96.8	Very high	41 Å²	41	48.6 Å²	48.6	29%	0.287	26%	0.262	S	S	.	.	H	α-helix	trans	-62.9	-40	179.9	-69.2	0	0	0	0	112.9	D177 S305 A311	D177-S307 WeakPolarHBondContact OD1-CB 3.41Å; D177-S307 PolarHBondContact OD1-N 2.95Å; D177-S307 PolarHBondContact OD1-OG 3.49Å; D177-S307 VanDerWaalsContact OD2-CB 3.27Å; D177-S307 WeakPolarHBondContact OD2-CB 3.3Å; D177-S307 PolarHBondContact OD2-OG 2.78Å; S305-S307 VanDerWaalsContact C-N 3.31Å; S305-S307 PolarHBondContact O-N 3.14Å; S307-A311 PolarHBondContact O-N 3.48Å
308	S	96.6	Very high	96.9	Very high	52 Å²	52	44.9 Å²	44.9	36%	0.364	24%	0.244	S	C	.	.	H	α-helix	trans	-70.5	-43.2	177.3	175.3	0	0	0	0	112	S305 L306 M310 A311 E312	S305-S308 PolarHBondContact O-N 2.96Å; S305-S308 VanDerWaalsContact O-N 3.16Å; S305-S308 PolarHBondContact OG-N 2.96Å; L306-S308 PolarHBondContact O-N 2.98Å; S308-M310 VanDerWaalsContact C-N 3.31Å; S308-M310 PolarHBondContact O-N 2.94Å; S308-A311 PolarHBondContact O-N 2.71Å; S308-A311 VanDerWaalsContact O-N 3.13Å; S308-E312 PolarHBondContact O-N 2.78Å
309	S	97.6	Very high	97	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.8	-31.3	178.7	-163.5	0	0	0	0	112.5	F199 S305 L306 A311 E312 P313 Q422 W423	F199-S309 WeakPolarHBondContact CE2-OG 3.34Å; S305-S309 VanDerWaalsContact O-CB 3.3Å; S305-S309 WeakPolarHBondContact O-CB 3.5Å; S305-S309 PolarHBondContact O-N 3Å; L306-S309 PolarHBondContact O-N 2.93Å; S309-A311 VanDerWaalsContact C-N 3.31Å; S309-A311 PolarHBondContact O-N 2.91Å; S309-E312 CarbonylContact O-C 3.39Å; S309-E312 PolarHBondContact O-N 3.43Å; S309-P313 WeakPolarHBondContact O-CA 3.5Å; S309-P313 WeakPolarHBondContact O-CB 3.22Å; S309-Q422 VanDerWaalsContact CB-OE1 3.22Å; S309-Q422 PolarHBondContact OG-OE1 2.9Å; S309-W423 PolarHBondContact O-NE1 2.86Å; S309-W423 PolarHBondContact OG-NE1 2.77Å
310	M	95.9	Very high	97	Very high	8 Å²	8	42.5 Å²	42.5	4%	0.039	23%	0.227	C	C	.	.	H	α-helix	trans	-66	-32.1	171.6	-76.6	-171.8	75.6	0	0	113.4	L169 K173 L306 S308 H330 Q334 W423	L169-M310 HydrophobicContact CD1-CE 3.82Å; L169-M310 HydrophobicContact CD1-SD 3.83Å; L169-M310 HydrophobicContact CD2-CE 4.08Å; L169-M310 HydrophobicContact CG-CE 4.48Å; K173-M310 HydrophobicContact CD-SD 4.42Å; K173-M310 WeakPolarHBondContact CE-SD 3.41Å; K173-M310 HydrophobicContact CG-SD 4.25Å; L306-M310 HydrophobicContact CD2-CG 4.02Å; L306-M310 HydrophobicContact CD2-SD 3.51Å; L306-M310 VanDerWaalsContact CD2-SD 3.51Å; L306-M310 WeakPolarHBondContact O-CB 3.42Å; L306-M310 VanDerWaalsContact O-CG 3.27Å; L306-M310 WeakPolarHBondContact O-CG 3.22Å; L306-M310 PolarHBondContact O-N 3.07Å; S308-M310 VanDerWaalsContact C-N 3.31Å; S308-M310 PolarHBondContact O-N 2.94Å; M310-H330 PolarHBondContact O-NE2 2.9Å; M310-H330 VanDerWaalsContact O-NE2 3.12Å; M310-Q334 HydrophobicContact CE-CG 3.52Å; M310-Q334 VanDerWaalsContact CE-OE1 3.27Å; M310-W423 HydrophobicContact CG-CH2 4.1Å; M310-W423 HydrophobicContact CG-CZ2 3.58Å
311	A	95.6	Very high	96.9	Very high	47 Å²	47	40.5 Å²	40.5	39%	0.388	23%	0.232	S	C	.	.	H	α-helix	trans	-81.7	-29.3	177.1	0	0	0	0	0	112.2	S307 S308 S309 A373	S307-A311 PolarHBondContact O-N 3.48Å; S308-A311 PolarHBondContact O-N 2.71Å; S308-A311 VanDerWaalsContact O-N 3.13Å; S309-A311 VanDerWaalsContact C-N 3.31Å; S309-A311 PolarHBondContact O-N 2.91Å; A311-A373 VanDerWaalsContact O-CB 3.24Å; A311-A373 WeakPolarHBondContact O-CB 3.46Å
312	E	97	Very high	96.9	Very high	103 Å²	103	40.7 Å²	40.7	48%	0.481	23%	0.232	S	C	.	.	S	Bend	trans	-135.3	72.9	179.1	-63.9	-174.3	162.9	0	0	111.3	K304 S308 S309 S372	K304-E312 PolarHBondContact NZ-O 2.65Å; K304-E312 IonicContact NZ-OE2 2.67Å; K304-E312 PolarHBondContact NZ-OE2 2.83Å; S308-E312 PolarHBondContact O-N 2.78Å; S309-E312 CarbonylContact O-C 3.39Å; S309-E312 PolarHBondContact O-N 3.43Å; E312-S372 WeakPolarHBondContact CA-OG 3.39Å
313	P	97.6	Very high	96.8	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.032	24%	0.239	C	C	.	.			trans	-72.1	139	-172	27.5	-35.9	0	0	0	112.4	S309 F315 S372 A373	S309-P313 WeakPolarHBondContact O-CA 3.5Å; S309-P313 WeakPolarHBondContact O-CB 3.22Å; P313-F315 HydrophobicContact CB-CD1 4.28Å; P313-F315 HydrophobicContact CB-CE1 3.61Å; P313-F315 HydrophobicContact CB-CE2 4.1Å; P313-F315 HydrophobicContact CB-CZ 3.52Å; P313-F315 HydrophobicContact CG-CE1 4.02Å; P313-F315 HydrophobicContact CG-CE2 3.8Å; P313-F315 HydrophobicContact CG-CZ 3.37Å; P313-S372 WeakPolarHBondContact CD-OG 2.88Å; P313-A373 HydrophobicContact CG-CB 4.18Å
314	D	97.3	Very high	96.6	Very high	74 Å²	74	48 Å²	48	40%	0.396	26%	0.259	S	S	.	.			trans	-104	110.5	166.7	-64.3	-52.1	0	0	0	108.4	K304 Q422 W423	K304-D314 IonicContact NZ-OD2 2.9Å; D314-Q422 PolarHBondContact O-N 2.84Å; D314-W423 PolarHBondContact O-N 2.88Å
315	F	97.5	Very high	96.6	Very high	65 Å²	65	48 Å²	48	29%	0.285	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	126.9	-175.4	-59.6	-60.2	0	0	0	112.3	P313 P326 H330 W423 Y425	P313-F315 HydrophobicContact CB-CD1 4.28Å; P313-F315 HydrophobicContact CB-CE1 3.61Å; P313-F315 HydrophobicContact CB-CE2 4.1Å; P313-F315 HydrophobicContact CB-CZ 3.52Å; P313-F315 HydrophobicContact CG-CE1 4.02Å; P313-F315 HydrophobicContact CG-CE2 3.8Å; P313-F315 HydrophobicContact CG-CZ 3.37Å; F315-P326 HydrophobicContact CB-CB 3.98Å; F315-P326 HydrophobicContact CD1-CB 3.82Å; F315-P326 HydrophobicContact CD2-CB 4.17Å; F315-P326 HydrophobicContact CE1-CB 4.35Å; F315-P326 HydrophobicContact CG-CB 3.72Å; F315-H330 HydrophobicContact CE1-CB 3.9Å; F315-H330 HydrophobicContact CZ-CB 3.95Å; F315-W423 CarbonylContact C-O 3.36Å; F315-W423 WeakPolarHBondContact CA-O 3.42Å; F315-W423 HydrophobicContact CD1-CB 3.88Å; F315-W423 HydrophobicContact CE1-CB 4.26Å; F315-Y425 HydrophobicContact CD1-CD2 4.01Å; F315-Y425 HydrophobicContact CD1-CE2 4.02Å; F315-Y425 HydrophobicContact CE1-CD2 4.07Å; F315-Y425 AromaticContact CE1-CE2 3.72Å; F315-Y425 HydrophobicContact CE1-CE2 3.72Å
316	M	96.4	Very high	96.6	Very high	25 Å²	25	47.2 Å²	47.2	12%	0.123	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	125.1	165	-173.1	-77.1	168.4	0	0	108.8	T318 V420 W423 L424 P931 F933	M316-T318 HydrophobicContact SD-CG2 4.38Å; M316-V420 HydrophobicContact CB-CG1 4.1Å; M316-V420 HydrophobicContact CG-CG1 4.46Å; M316-W423 PolarHBondContact N-O 3.48Å; M316-L424 HydrophobicContact CB-CB 4.37Å; M316-L424 HydrophobicContact SD-CD1 3.74Å; M316-L424 HydrophobicContact SD-CG 4.11Å; M316-P931 HydrophobicContact CE-CB 4.2Å; M316-P931 HydrophobicContact CE-CG 4.41Å; M316-P931 WeakPolarHBondContact CE-O 3.45Å; M316-F933 HydrophobicContact CE-CD2 3.3Å; M316-F933 HydrophobicContact CE-CE2 3.67Å; M316-F933 HydrophobicContact CE-CG 4.44Å; M316-F933 HydrophobicContact SD-CD2 3.82Å; M316-F933 HydrophobicContact SD-CE2 4.05Å
317	M	96.4	Very high	96.7	Very high	40 Å²	40	47.9 Å²	47.9	20%	0.197	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-81.5	124.5	-177.4	-165.1	55.4	62.6	0	0	111.9	F320 F323 P326	M317-F320 HydrophobicContact CB-CE1 4.3Å; M317-F320 HydrophobicContact CB-CZ 4.28Å; M317-F320 HydrophobicContact CG-CD1 4.09Å; M317-F320 HydrophobicContact CG-CD2 4.42Å; M317-F320 HydrophobicContact CG-CE1 4.22Å; M317-F320 HydrophobicContact CG-CG 4.2Å; M317-F320 HydrophobicContact CG-CZ 4.44Å; M317-F323 HydrophobicContact CE-CB 3.86Å; M317-F323 WeakPolarHBondContact CE-O 3.38Å; M317-F323 HydrophobicContact SD-CB 4.3Å; M317-P326 HydrophobicContact CE-CG 3.87Å; M317-P326 HydrophobicContact SD-CG 4Å
318	T	96.3	Very high	96.8	Very high	9 Å²	9	46.7 Å²	46.7	6%	0.055	25%	0.249	C	C	.	.	S	Bend	trans	-92.3	-38.5	176.5	52.9	0	0	0	0	112.9	M316 L424 Y425 F426 F933 F935	M316-T318 HydrophobicContact SD-CG2 4.38Å; T318-L424 HydrophobicContact CG2-CD1 4.03Å; T318-L424 HydrophobicContact CG2-CD2 3.53Å; T318-L424 HydrophobicContact CG2-CG 3.47Å; T318-L424 VanDerWaalsContact CG2-CG 3.47Å; T318-Y425 WeakPolarHBondContact CG2-O 3.2Å; T318-Y425 PolarHBondContact OG1-O 3.44Å; T318-F426 HydrophobicContact CG2-CB 4.42Å; T318-F933 HydrophobicContact CG2-CD2 4.34Å; T318-F933 CarbonylContact O-C 3.57Å; T318-F933 VanDerWaalsContact O-CB 3.3Å; T318-F933 WeakPolarHBondContact O-CB 3.2Å; T318-F935 WeakPolarHBondContact O-CD2 3.39Å; T318-F935 WeakPolarHBondContact O-CE2 3.33Å
319	D	96.9	Very high	96.9	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.032	23%	0.233	C	C	.	.			trans	-137.8	113.5	179.1	-175.6	-6.8	0	0	0	109.4	A321 K322 F935	D319-A321 PolarHBondContact O-N 2.73Å; D319-A321 WeakPolarHBondContact OD1-CB 3.48Å; D319-A321 PolarHBondContact OD1-N 3.41Å; D319-K322 HydrophobicContact CB-CB 4.24Å; D319-K322 HydrophobicContact CB-CD 4.11Å; D319-K322 HydrophobicContact CB-CG 4.21Å; D319-K322 CarbonylContact O-C 3.53Å; D319-K322 PolarHBondContact O-N 2.78Å; D319-K322 WeakPolarHBondContact OD2-CE 3.31Å; D319-F935 HydrophobicContact CB-CD2 3.89Å
320	F	95.7	Very high	96.9	Very high	128 Å²	128	44.4 Å²	44.4	56%	0.561	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-67.3	-17.4	-179.4	-70.9	-91.4	0	0	0	113.1	M317 K322 F932	M317-F320 HydrophobicContact CB-CE1 4.3Å; M317-F320 HydrophobicContact CB-CZ 4.28Å; M317-F320 HydrophobicContact CG-CD1 4.09Å; M317-F320 HydrophobicContact CG-CD2 4.42Å; M317-F320 HydrophobicContact CG-CE1 4.22Å; M317-F320 HydrophobicContact CG-CG 4.2Å; M317-F320 HydrophobicContact CG-CZ 4.44Å; F320-K322 PolarHBondContact O-N 2.82Å; F320-F932 HydrophobicContact CE2-CE2 4.47Å
321	A	96.3	Very high	97	Very high	75 Å²	75	44 Å²	44	62%	0.62	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-75	-11.5	170.7	0	0	0	0	0	112.9	D319	D319-A321 PolarHBondContact O-N 2.73Å; D319-A321 WeakPolarHBondContact OD1-CB 3.48Å; D319-A321 PolarHBondContact OD1-N 3.41Å
322	K	96.9	Very high	97.2	Very high	16 Å²	16	41.8 Å²	41.8	7%	0.07	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-121.6	32.7	-176.5	-59.2	178.8	-176	-171.5	0	111.9	D319 F320 D324 R325 P326 D427 E430	D319-K322 HydrophobicContact CB-CB 4.24Å; D319-K322 HydrophobicContact CB-CD 4.11Å; D319-K322 HydrophobicContact CB-CG 4.21Å; D319-K322 CarbonylContact O-C 3.53Å; D319-K322 PolarHBondContact O-N 2.78Å; D319-K322 WeakPolarHBondContact OD2-CE 3.31Å; F320-K322 PolarHBondContact O-N 2.82Å; K322-D324 PolarHBondContact O-N 2.8Å; K322-D324 VanDerWaalsContact O-N 3.07Å; K322-R325 HydrophobicContact CB-CB 4.39Å; K322-R325 HydrophobicContact CB-CG 4.05Å; K322-R325 WeakPolarHBondContact O-CB 3.39Å; K322-R325 PolarHBondContact O-N 3.43Å; K322-P326 WeakPolarHBondContact O-CD 3.45Å; K322-D427 PolarHBondContact NZ-O 3.31Å; K322-D427 IonicContact NZ-OD1 3.43Å; K322-D427 PolarHBondContact NZ-OD1 3.31Å; K322-D427 IonicContact NZ-OD2 2.63Å; K322-E430 WeakPolarHBondContact CE-OE1 3.38Å; K322-E430 IonicContact NZ-OE1 2.69Å; K322-E430 PolarHBondContact NZ-OE1 3.16Å; K322-E430 IonicContact NZ-OE2 3.99Å; K322-E430 PolarHBondContact NZ-OE2 3.29Å
323	F	94.9	Very high	97.3	Very high	148 Å²	148	37 Å²	37	65%	0.649	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-20	-168.1	70.1	-92.3	0	0	0	115	M317	M317-F323 HydrophobicContact CE-CB 3.86Å; M317-F323 WeakPolarHBondContact CE-O 3.38Å; M317-F323 HydrophobicContact SD-CB 4.3Å
324	D	95	Very high	97.3	Very high	86 Å²	86	37.5 Å²	37.5	46%	0.46	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-16	177.7	63.7	-49.7	0	0	0	113.3	K322	K322-D324 PolarHBondContact O-N 2.8Å; K322-D324 VanDerWaalsContact O-N 3.07Å
325	R	97.9	Very high	97.4	Very high	56 Å²	56	34 Å²	34	21%	0.211	17%	0.173	C	C	.	.	H	α-helix	trans	-74.1	-35	-174.8	-63.3	-163.7	-177.3	174.4	2.2	116	K322 G327 Q328 L329 L382 D427	K322-R325 HydrophobicContact CB-CB 4.39Å; K322-R325 HydrophobicContact CB-CG 4.05Å; K322-R325 WeakPolarHBondContact O-CB 3.39Å; K322-R325 PolarHBondContact O-N 3.43Å; R325-G327 VanDerWaalsContact C-N 3.29Å; R325-G327 PolarHBondContact O-N 2.9Å; R325-Q328 WeakPolarHBondContact O-CA 3.44Å; R325-Q328 WeakPolarHBondContact O-CB 3.43Å; R325-Q328 PolarHBondContact O-N 3.32Å; R325-L329 HydrophobicContact CB-CD1 4.31Å; R325-L329 HydrophobicContact CB-CG 4.47Å; R325-L329 WeakPolarHBondContact O-CG 3.41Å; R325-L329 PolarHBondContact O-N 3.33Å; R325-L382 HydrophobicContact CB-CD2 4.45Å; R325-L382 HydrophobicContact CG-CD2 4.13Å; R325-D427 WeakPolarHBondContact CD-OD2 3.29Å; R325-D427 IonicContact CZ-OD2 3.41Å; R325-D427 IonicContact NE-OD2 2.87Å; R325-D427 IonicContact NH1-OD1 3.97Å; R325-D427 PolarHBondContact NH1-OD1 3.27Å; R325-D427 IonicContact NH1-OD2 3.63Å; R325-D427 PolarHBondContact NH1-OD2 3.34Å
326	P	98.3	Very high	97.4	Very high	7 Å²	7	31 Å²	31	5%	0.045	16%	0.16	C	C	.	.	H	α-helix	trans	-53.7	-41.9	-175.6	-31.1	37.2	0	0	0	114.2	F315 M317 K322 L329 H330 Y425	F315-P326 HydrophobicContact CB-CB 3.98Å; F315-P326 HydrophobicContact CD1-CB 3.82Å; F315-P326 HydrophobicContact CD2-CB 4.17Å; F315-P326 HydrophobicContact CE1-CB 4.35Å; F315-P326 HydrophobicContact CG-CB 3.72Å; M317-P326 HydrophobicContact CE-CG 3.87Å; M317-P326 HydrophobicContact SD-CG 4Å; K322-P326 WeakPolarHBondContact O-CD 3.45Å; P326-L329 PolarHBondContact O-N 3.43Å; P326-H330 VanDerWaalsContact O-CB 3.3Å; P326-H330 WeakPolarHBondContact O-CB 3.41Å; P326-H330 PolarHBondContact O-N 2.89Å; P326-Y425 HydrophobicContact CB-CD2 4.28Å
327	G	98.1	Very high	97.5	Very high	15 Å²	15	30.4 Å²	30.4	16%	0.155	16%	0.157	C	C	.	.	H	α-helix	trans	-65	-39.4	175.5	0	0	0	0	0	113.3	R325 H330 I331	R325-G327 VanDerWaalsContact C-N 3.29Å; R325-G327 PolarHBondContact O-N 2.9Å; G327-H330 WeakPolarHBondContact O-CB 3.22Å; G327-H330 PolarHBondContact O-N 3.03Å; G327-I331 PolarHBondContact O-N 2.94Å
328	Q	98.4	Very high	97.6	Very high	15 Å²	15	29.7 Å²	29.7	7%	0.07	16%	0.158	C	C	.	.	H	α-helix	trans	-63.1	-48.2	176.1	-53.1	-69.5	-16	0	0	110.9	R325 H330 I331 G332 Q377 L378 L382	R325-Q328 WeakPolarHBondContact O-CA 3.44Å; R325-Q328 WeakPolarHBondContact O-CB 3.43Å; R325-Q328 PolarHBondContact O-N 3.32Å; Q328-H330 VanDerWaalsContact C-N 3.33Å; Q328-H330 PolarHBondContact O-N 3.31Å; Q328-I331 PolarHBondContact O-N 2.88Å; Q328-G332 PolarHBondContact O-N 2.91Å; Q328-Q377 PolarHBondContact NE2-O 3.08Å; Q328-L378 VanDerWaalsContact OE1-CA 3.31Å; Q328-L382 HydrophobicContact CB-CD2 3.69Å; Q328-L382 HydrophobicContact CG-CD2 4.16Å
329	L	98.6	Very high	97.7	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.016	16%	0.155	C	C	.	.	H	α-helix	trans	-65.8	-37.5	-179.7	-62.2	178.6	0	0	0	111	F195 R325 P326 I331 G332 F333 L382 M386 Y425	F195-L329 HydrophobicContact CD1-CD2 3.64Å; F195-L329 HydrophobicContact CE1-CD2 3.69Å; R325-L329 HydrophobicContact CB-CD1 4.31Å; R325-L329 HydrophobicContact CB-CG 4.47Å; R325-L329 WeakPolarHBondContact O-CG 3.41Å; R325-L329 PolarHBondContact O-N 3.33Å; P326-L329 PolarHBondContact O-N 3.43Å; L329-I331 VanDerWaalsContact C-N 3.29Å; L329-I331 PolarHBondContact O-N 2.95Å; L329-G332 PolarHBondContact O-N 3.38Å; L329-G332 VanDerWaalsContact O-N 3.14Å; L329-F333 WeakPolarHBondContact O-CD2 3.41Å; L329-F333 PolarHBondContact O-N 3.48Å; L329-L382 HydrophobicContact CD2-CD1 4.31Å; L329-L382 HydrophobicContact CD2-CD2 4.25Å; L329-L382 HydrophobicContact CD2-CG 4.36Å; L329-M386 HydrophobicContact CD2-CE 4.02Å; L329-M386 HydrophobicContact CD2-CG 4.24Å; L329-M386 HydrophobicContact CD2-SD 3.5Å; L329-M386 WeakPolarHBondContact CD2-SD 3.41Å; L329-Y425 HydrophobicContact CB-CD1 3.6Å; L329-Y425 HydrophobicContact CB-CE1 4.25Å; L329-Y425 HydrophobicContact CB-CG 3.9Å; L329-Y425 HydrophobicContact CD1-CG 4.49Å
330	H	98.5	Very high	97.7	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-55.7	-42.6	174.3	-175.5	70.4	0	0	0	112.8	M310 F315 P326 G327 Q328 Q334 Y425	M310-H330 PolarHBondContact O-NE2 2.9Å; M310-H330 VanDerWaalsContact O-NE2 3.12Å; F315-H330 HydrophobicContact CE1-CB 3.9Å; F315-H330 HydrophobicContact CZ-CB 3.95Å; P326-H330 VanDerWaalsContact O-CB 3.3Å; P326-H330 WeakPolarHBondContact O-CB 3.41Å; P326-H330 PolarHBondContact O-N 2.89Å; G327-H330 WeakPolarHBondContact O-CB 3.22Å; G327-H330 PolarHBondContact O-N 3.03Å; Q328-H330 VanDerWaalsContact C-N 3.33Å; Q328-H330 PolarHBondContact O-N 3.31Å; H330-Q334 PolarHBondContact CD2-NE2 3.2Å; H330-Q334 VanDerWaalsContact CD2-NE2 3.26Å; H330-Q334 PolarHBondContact NE2-NE2 3.32Å; H330-Q334 WeakPolarHBondContact O-CG 2.92Å; H330-Q334 PolarHBondContact O-NE2 3.21Å; H330-Y425 VanDerWaalsContact CA-CZ 3.49Å; H330-Y425 WeakPolarHBondContact CA-OH 3.36Å; H330-Y425 HydrophobicContact CB-CE2 3.82Å; H330-Y425 AromaticContact ND1-CE2 3.93Å; H330-Y425 AromaticContact ND1-CZ 3.73Å; H330-Y425 PolarHBondContact ND1-OH 2.94Å
331	I	98.6	Very high	97.7	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-74.5	-41.5	175.1	-63.2	168.9	0	0	0	110.7	G327 Q328 L329 F333 Q334 A335 A362 L365 N366 V375 L378	G327-I331 PolarHBondContact O-N 2.94Å; Q328-I331 PolarHBondContact O-N 2.88Å; L329-I331 VanDerWaalsContact C-N 3.29Å; L329-I331 PolarHBondContact O-N 2.95Å; I331-F333 PolarHBondContact O-N 3.24Å; I331-Q334 WeakPolarHBondContact O-CB 3.41Å; I331-Q334 PolarHBondContact O-N 2.86Å; I331-A335 PolarHBondContact O-N 2.96Å; I331-A362 HydrophobicContact CG2-CB 4.02Å; I331-L365 HydrophobicContact CG2-CB 4.42Å; I331-N366 HydrophobicContact CD1-CB 3.85Å; I331-N366 WeakPolarHBondContact CD1-OD1 3.34Å; I331-N366 HydrophobicContact CG2-CB 4.41Å; I331-V375 HydrophobicContact CD1-CB 3.73Å; I331-V375 HydrophobicContact CD1-CG2 3.43Å; I331-V375 VanDerWaalsContact CD1-CG2 3.43Å; I331-V375 HydrophobicContact CG1-CG2 4.49Å; I331-L378 HydrophobicContact CB-CD2 4.48Å; I331-L378 HydrophobicContact CD1-CD2 3.82Å; I331-L378 HydrophobicContact CG2-CD2 4.28Å
332	G	98.4	Very high	97.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.1	-42.4	-178.9	0	0	0	0	0	113.7	Q328 L329 A335 I336	Q328-G332 PolarHBondContact O-N 2.91Å; L329-G332 PolarHBondContact O-N 3.38Å; L329-G332 VanDerWaalsContact O-N 3.14Å; G332-A335 WeakPolarHBondContact O-CB 3.35Å; G332-A335 PolarHBondContact O-N 3.4Å; G332-I336 WeakPolarHBondContact O-CG1 3.48Å; G332-I336 PolarHBondContact O-N 2.99Å
333	F	98.5	Very high	97.8	Very high	3 Å²	3	38.1 Å²	38.1	1%	0.013	18%	0.182	C	C	.	.	H	α-helix	trans	-63.4	-41.6	174.5	-88.8	-89.8	0	0	0	111.6	D190 R192 F195 Q197 L329 I331 A335 I336 H337 M386 Y425	D190-F333 HydrophobicContact CB-CE1 4.17Å; R192-F333 HydrophobicContact CB-CE1 4.4Å; R192-F333 HydrophobicContact CG-CD1 4.37Å; R192-F333 HydrophobicContact CG-CE1 3.71Å; R192-F333 HydrophobicContact CG-CZ 4.34Å; F195-F333 HydrophobicContact CB-CE2 4.16Å; F195-F333 HydrophobicContact CB-CZ 4.02Å; Q197-F333 HydrophobicContact CB-CD1 4.48Å; Q197-F333 HydrophobicContact CB-CD2 4.34Å; Q197-F333 HydrophobicContact CB-CE1 4.2Å; Q197-F333 HydrophobicContact CB-CE2 4.07Å; Q197-F333 HydrophobicContact CB-CZ 4Å; Q197-F333 VanDerWaalsContact CD-CD1 3.44Å; Q197-F333 HydrophobicContact CG-CD1 3.86Å; Q197-F333 HydrophobicContact CG-CE1 3.7Å; Q197-F333 HydrophobicContact CG-CE2 4.43Å; Q197-F333 HydrophobicContact CG-CG 4.3Å; Q197-F333 HydrophobicContact CG-CZ 4.01Å; Q197-F333 VanDerWaalsContact OE1-CB 3.29Å; L329-F333 WeakPolarHBondContact O-CD2 3.41Å; L329-F333 PolarHBondContact O-N 3.48Å; I331-F333 PolarHBondContact O-N 3.24Å; F333-A335 VanDerWaalsContact C-N 3.33Å; F333-A335 PolarHBondContact O-N 3.35Å; F333-I336 PolarHBondContact O-N 3.12Å; F333-H337 PolarHBondContact O-CD2 3.4Å; F333-H337 PolarHBondContact O-N 3.17Å; F333-H337 VanDerWaalsContact O-N 3.07Å; F333-M386 HydrophobicContact CD2-CE 3.52Å; F333-M386 HydrophobicContact CE2-CE 3.8Å; F333-M386 HydrophobicContact CG-CE 4.16Å; F333-Y425 AromaticContact CD2-CD1 3.96Å; F333-Y425 HydrophobicContact CD2-CD1 3.96Å; F333-Y425 AromaticContact CD2-CE1 3.66Å; F333-Y425 HydrophobicContact CD2-CE1 3.66Å; F333-Y425 HydrophobicContact CE2-CD1 4.01Å; F333-Y425 HydrophobicContact CE2-CE1 4.13Å; F333-Y425 HydrophobicContact CG-CE1 4.32Å
334	Q	98.4	Very high	97.9	Very high	15 Å²	15	38.1 Å²	38.1	7%	0.07	19%	0.189	C	C	.	.	H	α-helix	trans	-61.5	-41.3	173.6	-69.7	177.1	72.5	0	0	111.9	L169 M310 H330 I331 I336 H337 A338 L365	L169-Q334 HydrophobicContact CD2-CG 4.32Å; M310-Q334 HydrophobicContact CE-CG 3.52Å; M310-Q334 VanDerWaalsContact CE-OE1 3.27Å; H330-Q334 PolarHBondContact CD2-NE2 3.2Å; H330-Q334 VanDerWaalsContact CD2-NE2 3.26Å; H330-Q334 PolarHBondContact NE2-NE2 3.32Å; H330-Q334 WeakPolarHBondContact O-CG 2.92Å; H330-Q334 PolarHBondContact O-NE2 3.21Å; I331-Q334 WeakPolarHBondContact O-CB 3.41Å; I331-Q334 PolarHBondContact O-N 2.86Å; Q334-I336 VanDerWaalsContact C-N 3.34Å; Q334-I336 PolarHBondContact O-N 3.22Å; Q334-H337 PolarHBondContact O-N 3.25Å; Q334-A338 PolarHBondContact O-N 2.89Å; Q334-L365 HydrophobicContact CB-CD1 3.99Å
335	A	98.6	Very high	97.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.7	-38.8	175.6	0	0	0	0	0	111.9	I331 G332 F333 H337 A338 F339 L358 L361 A362 L365	I331-A335 PolarHBondContact O-N 2.96Å; G332-A335 WeakPolarHBondContact O-CB 3.35Å; G332-A335 PolarHBondContact O-N 3.4Å; F333-A335 VanDerWaalsContact C-N 3.33Å; F333-A335 PolarHBondContact O-N 3.35Å; A335-H337 VanDerWaalsContact C-N 3.34Å; A335-H337 PolarHBondContact O-N 2.8Å; A335-A338 PolarHBondContact O-N 3.04Å; A335-F339 WeakPolarHBondContact O-CB 3.4Å; A335-F339 PolarHBondContact O-N 3.01Å; A335-L358 VanDerWaalsContact C-CD1 3.5Å; A335-L358 HydrophobicContact CB-CD1 3.9Å; A335-L358 HydrophobicContact CB-CG 4.14Å; A335-L358 WeakPolarHBondContact O-CD1 3.36Å; A335-L361 HydrophobicContact CB-CB 4.37Å; A335-A362 HydrophobicContact CB-CB 3.97Å; A335-L365 HydrophobicContact CB-CD1 4Å
336	I	98.6	Very high	97.8	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	-63	-41.4	174.9	-70.1	169.5	0	0	0	110.8	R192 G332 F333 Q334 F339 K340 L346 L358 M386 A390	R192-I336 HydrophobicContact CG-CD1 4.34Å; G332-I336 WeakPolarHBondContact O-CG1 3.48Å; G332-I336 PolarHBondContact O-N 2.99Å; F333-I336 PolarHBondContact O-N 3.12Å; Q334-I336 VanDerWaalsContact C-N 3.34Å; Q334-I336 PolarHBondContact O-N 3.22Å; I336-F339 PolarHBondContact O-N 2.78Å; I336-K340 WeakPolarHBondContact O-CB 3.29Å; I336-K340 PolarHBondContact O-N 2.68Å; I336-L346 HydrophobicContact CG2-CD2 3.89Å; I336-L358 HydrophobicContact CG1-CD1 4Å; I336-L358 HydrophobicContact CG1-CD2 4.09Å; I336-M386 HydrophobicContact CD1-CB 4.31Å; I336-M386 HydrophobicContact CD1-CE 4.15Å; I336-A390 HydrophobicContact CD1-CB 4.18Å; I336-A390 HydrophobicContact CG1-CB 4.46Å
337	H	98.2	Very high	97.8	Very high	12 Å²	12	36.6 Å²	36.6	6%	0.056	18%	0.177	C	C	.	.	H	α-helix	trans	-63.8	-45.1	174.6	-73.7	-71.6	0	0	0	111.9	S167 L169 F333 Q334 A335 F339 K340 Q341	S167-H337 PolarHBondContact O-CE1 2.8Å; L169-H337 HydrophobicContact CB-CB 3.79Å; L169-H337 HydrophobicContact CD2-CB 4.32Å; F333-H337 PolarHBondContact O-CD2 3.4Å; F333-H337 PolarHBondContact O-N 3.17Å; F333-H337 VanDerWaalsContact O-N 3.07Å; Q334-H337 PolarHBondContact O-N 3.25Å; A335-H337 VanDerWaalsContact C-N 3.34Å; A335-H337 PolarHBondContact O-N 2.8Å; H337-F339 PolarHBondContact O-N 3.43Å; H337-K340 PolarHBondContact O-N 2.93Å; H337-Q341 WeakPolarHBondContact O-CB 3.5Å; H337-Q341 PolarHBondContact O-N 3.41Å
338	A	98.1	Very high	97.8	Very high	26 Å²	26	38.5 Å²	38.5	22%	0.215	19%	0.186	C	C	.	.	H	α-helix	trans	-61.5	-42.3	176.8	0	0	0	0	0	112	Q334 A335 Q341 K342 L365	Q334-A338 PolarHBondContact O-N 2.89Å; A335-A338 PolarHBondContact O-N 3.04Å; A338-Q341 PolarHBondContact O-N 2.7Å; A338-K342 WeakPolarHBondContact O-CB 3.22Å; A338-K342 PolarHBondContact O-N 3.07Å; A338-L365 HydrophobicContact CB-CD1 4.47Å
339	F	98.6	Very high	97.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60	-48.2	174.6	-173.9	-78.5	0	0	0	110.9	A335 I336 H337 Q341 K342 H343 P347 D354 E357 L358 L361	A335-F339 WeakPolarHBondContact O-CB 3.4Å; A335-F339 PolarHBondContact O-N 3.01Å; I336-F339 PolarHBondContact O-N 2.78Å; H337-F339 PolarHBondContact O-N 3.43Å; F339-Q341 VanDerWaalsContact C-N 3.3Å; F339-Q341 PolarHBondContact O-N 2.78Å; F339-K342 PolarHBondContact O-N 2.86Å; F339-H343 HydrophobicContact CD1-CB 4.46Å; F339-H343 AromaticContact CD1-CD2 3.92Å; F339-H343 AromaticContact CD2-CD2 3.81Å; F339-H343 HydrophobicContact CE1-CB 4.08Å; F339-H343 AromaticContact CE1-CD2 3.63Å; F339-H343 AromaticContact CE2-CD2 3.52Å; F339-H343 AromaticContact CE2-NE2 3.79Å; F339-H343 AromaticContact CZ-CD2 3.42Å; F339-H343 VanDerWaalsContact CZ-CD2 3.42Å; F339-H343 WeakPolarHBondContact CZ-CD2 3.17Å; F339-H343 AromaticContact CZ-NE2 3.95Å; F339-H343 PolarHBondContact O-N 3.02Å; F339-P347 HydrophobicContact CD1-CG 3.76Å; F339-P347 HydrophobicContact CD2-CG 4.44Å; F339-P347 HydrophobicContact CE1-CB 4.36Å; F339-P347 HydrophobicContact CE1-CG 3.92Å; F339-P347 HydrophobicContact CG-CG 4.04Å; F339-P347 HydrophobicContact CZ-CG 4.33Å; F339-D354 HydrophobicContact CE2-CB 4.16Å; F339-D354 HydrophobicContact CZ-CB 4.02Å; F339-E357 HydrophobicContact CD2-CG 4.31Å; F339-E357 HydrophobicContact CE2-CB 4.31Å; F339-E357 HydrophobicContact CE2-CG 4.18Å; F339-L358 HydrophobicContact CB-CD1 3.92Å; F339-L358 HydrophobicContact CD2-CD1 4.46Å; F339-L358 HydrophobicContact CG-CD1 4.42Å; F339-L361 HydrophobicContact CB-CD1 3.86Å; F339-L361 HydrophobicContact CD2-CD1 4.09Å; F339-L361 HydrophobicContact CG-CD1 4.47Å
340	K	97.4	Very high	97.6	Very high	72 Å²	72	39.2 Å²	39.2	31%	0.313	19%	0.19	S	C	.	.	H	α-helix	trans	-62	-38.5	178.5	-174.2	-179.6	175.9	-173	0	112	I336 H337 N344 R345 L346	I336-K340 WeakPolarHBondContact O-CB 3.29Å; I336-K340 PolarHBondContact O-N 2.68Å; H337-K340 PolarHBondContact O-N 2.93Å; K340-N344 WeakPolarHBondContact O-CA 3.41Å; K340-N344 PolarHBondContact O-N 3.47Å; K340-R345 WeakPolarHBondContact CA-O 3.37Å; K340-L346 HydrophobicContact CD-CD2 4.16Å
341	Q	96.6	Very high	97.6	Very high	138 Å²	138	39.6 Å²	39.6	65%	0.645	19%	0.193	S	C	*	.	H	α-helix	trans	-65.2	-40.9	175.7	-173.7	174.5	33.5	0	0	111.8	D170 H337 A338 F339	D170-Q341 PolarHBondContact OD2-NE2 3.37Å; H337-Q341 WeakPolarHBondContact O-CB 3.5Å; H337-Q341 PolarHBondContact O-N 3.41Å; A338-Q341 PolarHBondContact O-N 2.7Å; F339-Q341 VanDerWaalsContact C-N 3.3Å; F339-Q341 PolarHBondContact O-N 2.78Å
342	K	97.4	Very high	97.4	Very high	135 Å²	135	44.1 Å²	44.1	59%	0.587	21%	0.214	S	C	*	.	H	α-helix	trans	-70.1	-41.4	-180	-173.7	179.4	179.3	-171.2	0	113.2	A338 F339 E357	A338-K342 WeakPolarHBondContact O-CB 3.22Å; A338-K342 PolarHBondContact O-N 3.07Å; F339-K342 PolarHBondContact O-N 2.86Å; K342-E357 WeakPolarHBondContact CE-OE1 3.24Å; K342-E357 IonicContact NZ-OE1 2.93Å; K342-E357 PolarHBondContact NZ-OE1 3.2Å
343	H	97.4	Very high	97.4	Very high	66 Å²	66	47.5 Å²	47.5	31%	0.306	24%	0.242	S	C	.	.	H	α-helix	trans	-107.3	-7.4	-171	-69.1	-70.3	0	0	0	114.8	F339 R345 E357	F339-H343 HydrophobicContact CD1-CB 4.46Å; F339-H343 AromaticContact CD1-CD2 3.92Å; F339-H343 AromaticContact CD2-CD2 3.81Å; F339-H343 HydrophobicContact CE1-CB 4.08Å; F339-H343 AromaticContact CE1-CD2 3.63Å; F339-H343 AromaticContact CE2-CD2 3.52Å; F339-H343 AromaticContact CE2-NE2 3.79Å; F339-H343 AromaticContact CZ-CD2 3.42Å; F339-H343 VanDerWaalsContact CZ-CD2 3.42Å; F339-H343 WeakPolarHBondContact CZ-CD2 3.17Å; F339-H343 AromaticContact CZ-NE2 3.95Å; F339-H343 PolarHBondContact O-N 3.02Å; H343-R345 HydrophobicContact CB-CG 3.9Å; H343-R345 PolarHBondContact O-N 3.09Å; H343-R345 VanDerWaalsContact O-N 3.15Å; H343-E357 IonicContact CD2-OE1 2.7Å; H343-E357 IonicContact CE1-OE1 2.86Å; H343-E357 IonicContact CE1-OE2 3.14Å; H343-E357 IonicContact NE2-OE1 3.81Å; H343-E357 PolarHBondContact NE2-OE1 3.26Å; H343-E357 IonicContact NE2-OE2 3.38Å; H343-E357 PolarHBondContact NE2-OE2 2.89Å
344	N	95.6	Very high	97.4	Very high	148 Å²	148	47.9 Å²	47.9	79%	0.791	24%	0.244	S	C	*	.	S	Bend	trans	54.7	25.7	-172	-162.3	39.2	0	0	0	114	K340	K340-N344 WeakPolarHBondContact O-CA 3.41Å; K340-N344 PolarHBondContact O-N 3.47Å
345	R	95.5	Very high	97.4	Very high	94 Å²	94	47.2 Å²	47.2	36%	0.355	24%	0.241	S	C	.	.	S	Bend	trans	-149.8	159.6	175.1	63.1	171	-176.1	83.6	-2.7	110	K340 H343 T348 D354	K340-R345 WeakPolarHBondContact CA-O 3.37Å; H343-R345 HydrophobicContact CB-CG 3.9Å; H343-R345 PolarHBondContact O-N 3.09Å; H343-R345 VanDerWaalsContact O-N 3.15Å; R345-T348 PolarHBondContact NH1-OG1 3.31Å; R345-D354 IonicContact CZ-OD1 2.74Å; R345-D354 IonicContact CZ-OD2 3.49Å; R345-D354 IonicContact NH1-OD1 3.91Å; R345-D354 IonicContact NH1-OD2 3.59Å; R345-D354 PolarHBondContact NH1-OD2 3.46Å; R345-D354 IonicContact NH2-OD1 3.14Å; R345-D354 PolarHBondContact NH2-OD1 2.91Å; R345-D354 IonicContact NH2-OD2 3.96Å; R345-D354 PolarHBondContact NH2-OD2 3.28Å; R345-D354 VanDerWaalsContact NH2-OD2 3.14Å
346	L	96.8	Very high	97.4	Very high	21 Å²	21	51.5 Å²	51.5	11%	0.11	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-72.9	160.8	165.7	-67	168	0	0	0	109.9	I336 K340	I336-L346 HydrophobicContact CG2-CD2 3.89Å; K340-L346 HydrophobicContact CD-CD2 4.16Å
347	P	98.1	Very high	97.4	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.006	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-49.7	141.7	166.5	-28.5	36	0	0	0	112.1	F339 D354 S387 A390	F339-P347 HydrophobicContact CD1-CG 3.76Å; F339-P347 HydrophobicContact CD2-CG 4.44Å; F339-P347 HydrophobicContact CE1-CB 4.36Å; F339-P347 HydrophobicContact CE1-CG 3.92Å; F339-P347 HydrophobicContact CG-CG 4.04Å; F339-P347 HydrophobicContact CZ-CG 4.33Å; P347-D354 HydrophobicContact CB-CB 4.07Å; P347-S387 WeakPolarHBondContact CB-O 3.47Å; P347-S387 VanDerWaalsContact CB-OG 3.29Å; P347-S387 WeakPolarHBondContact CB-OG 3.14Å; P347-A390 HydrophobicContact CB-CB 4.2Å; P347-A390 HydrophobicContact CG-CB 3.94Å
348	T	97.6	Very high	97.4	Very high	55 Å²	55	52.9 Å²	52.9	34%	0.337	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-70.6	134.6	177.6	-53.6	0	0	0	0	108.7	R345 W350 S351 D354	R345-T348 PolarHBondContact NH1-OG1 3.31Å; T348-W350 PolarHBondContact O-N 3.37Å; T348-S351 WeakPolarHBondContact O-CB 3.42Å; T348-S351 PolarHBondContact O-N 3.21Å; T348-S351 VanDerWaalsContact O-N 3.09Å; T348-D354 WeakPolarHBondContact CB-OD2 3.46Å; T348-D354 PolarHBondContact N-OD2 3.49Å; T348-D354 PolarHBondContact OG1-OD2 2.66Å; T348-D354 VanDerWaalsContact OG1-OD2 3.04Å
349	P	97.5	Very high	97.4	Very high	16 Å²	16	51.8 Å²	51.8	10%	0.104	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.8	126.7	179.8	-28.1	33.7	0	0	0	112.3	S351 Y388 A391 C445 A457	P349-S351 PolarHBondContact O-N 2.99Å; P349-S351 VanDerWaalsContact O-N 3.08Å; P349-Y388 WeakPolarHBondContact CA-O 3.28Å; P349-A391 HydrophobicContact CG-CB 4Å; P349-C445 HydrophobicContact CB-CB 3.84Å; P349-A457 HydrophobicContact CB-CB 4.21Å; P349-A457 HydrophobicContact CG-CB 3.8Å
350	W	96.2	Very high	97.4	Very high	17 Å²	17	55.2 Å²	55.2	6%	0.064	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	18.1	177.2	-65.3	83.3	0	0	0	116.5	T348 Q352 Y388 L389 L432 M439 L440 C445 A457 V458	T348-W350 PolarHBondContact O-N 3.37Å; W350-Q352 PolarHBondContact O-N 3.3Å; W350-Y388 HydrophobicContact CE3-CD2 4.01Å; W350-Y388 HydrophobicContact CE3-CG 4.37Å; W350-Y388 HydrophobicContact CZ3-CD2 4.24Å; W350-Y388 PolarHBondContact N-O 3.14Å; W350-L389 HydrophobicContact CZ2-CD2 3.99Å; W350-L432 HydrophobicContact CZ2-CD2 4.22Å; W350-M439 HydrophobicContact CZ3-SD 4.08Å; W350-L440 HydrophobicContact CD2-CB 3.66Å; W350-L440 HydrophobicContact CE3-CB 3.9Å; W350-L440 HydrophobicContact CG-CB 4.18Å; W350-L440 HydrophobicContact CH2-CB 4.08Å; W350-L440 HydrophobicContact CH2-CD1 4.19Å; W350-L440 HydrophobicContact CH2-CG 4.48Å; W350-L440 HydrophobicContact CZ2-CB 3.86Å; W350-L440 HydrophobicContact CZ2-CD1 3.52Å; W350-L440 HydrophobicContact CZ2-CG 4.18Å; W350-L440 HydrophobicContact CZ3-CB 4.1Å; W350-C445 HydrophobicContact CG-CB 4.42Å; W350-C445 PolarHBondContact NE1-SG 3.4Å; W350-A457 PolarHBondContact NE1-O 3.23Å; W350-V458 PolarHBondContact NE1-O 3.07Å
351	S	97.1	Very high	97.5	Very high	10 Å²	10	52.8 Å²	52.8	7%	0.07	27%	0.27	C	S	.	.			trans	-78.6	121.2	179.5	-172.2	0	0	0	0	113.3	T348 P349 A353 G355 Y388 E442	T348-S351 WeakPolarHBondContact O-CB 3.42Å; T348-S351 PolarHBondContact O-N 3.21Å; T348-S351 VanDerWaalsContact O-N 3.09Å; P349-S351 PolarHBondContact O-N 2.99Å; P349-S351 VanDerWaalsContact O-N 3.08Å; S351-A353 VanDerWaalsContact C-N 3.34Å; S351-A353 PolarHBondContact O-N 2.88Å; S351-G355 PolarHBondContact O-N 3.48Å; S351-Y388 WeakPolarHBondContact O-CE1 3.41Å; S351-E442 WeakPolarHBondContact CA-OE1 3.42Å; S351-E442 VanDerWaalsContact CB-OE1 3.24Å; S351-E442 WeakPolarHBondContact CB-OE1 3.44Å; S351-E442 PolarHBondContact OG-OE1 3.08Å
352	Q	95.9	Very high	97.6	Very high	95 Å²	95	46.2 Å²	46.2	44%	0.444	24%	0.239	S	C	.	.	H	α-helix	trans	-64.3	-39.8	179.5	-60.9	-61.7	-45.4	0	0	111.5	W350 G355 E356 Y388	W350-Q352 PolarHBondContact O-N 3.3Å; Q352-G355 PolarHBondContact O-N 2.86Å; Q352-E356 WeakPolarHBondContact O-CG 3.5Å; Q352-E356 PolarHBondContact O-N 2.82Å; Q352-Y388 PolarHBondContact NE2-OH 2.67Å; Q352-Y388 PolarHBondContact OE1-OH 3.19Å
353	A	97.8	Very high	97.6	Very high	71 Å²	71	44.1 Å²	44.1	59%	0.587	23%	0.23	S	C	*	.	H	α-helix	trans	-65	-48.2	-179.3	0	0	0	0	0	111.7	S351 G355 E356 E357	S351-A353 VanDerWaalsContact C-N 3.34Å; S351-A353 PolarHBondContact O-N 2.88Å; A353-G355 PolarHBondContact O-N 3.29Å; A353-E356 PolarHBondContact O-N 3.28Å; A353-E357 PolarHBondContact O-N 3.04Å
354	D	98.3	Very high	97.6	Very high	12 Å²	12	46.4 Å²	46.4	6%	0.064	24%	0.241	C	C	.	.	H	α-helix	trans	-66	-29.9	174.9	-70.1	-12.2	0	0	0	111.2	F339 R345 P347 T348 L358 S387	F339-D354 HydrophobicContact CE2-CB 4.16Å; F339-D354 HydrophobicContact CZ-CB 4.02Å; R345-D354 IonicContact CZ-OD1 2.74Å; R345-D354 IonicContact CZ-OD2 3.49Å; R345-D354 IonicContact NH1-OD1 3.91Å; R345-D354 IonicContact NH1-OD2 3.59Å; R345-D354 PolarHBondContact NH1-OD2 3.46Å; R345-D354 IonicContact NH2-OD1 3.14Å; R345-D354 PolarHBondContact NH2-OD1 2.91Å; R345-D354 IonicContact NH2-OD2 3.96Å; R345-D354 PolarHBondContact NH2-OD2 3.28Å; R345-D354 VanDerWaalsContact NH2-OD2 3.14Å; P347-D354 HydrophobicContact CB-CB 4.07Å; T348-D354 WeakPolarHBondContact CB-OD2 3.46Å; T348-D354 PolarHBondContact N-OD2 3.49Å; T348-D354 PolarHBondContact OG1-OD2 2.66Å; T348-D354 VanDerWaalsContact OG1-OD2 3.04Å; D354-L358 WeakPolarHBondContact O-CB 3.46Å; D354-L358 PolarHBondContact O-N 3.43Å; D354-S387 PolarHBondContact O-OG 3.28Å; D354-S387 VanDerWaalsContact O-OG 3.12Å
355	G	97.8	Very high	97.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.5	-48.8	172.9	0	0	0	0	0	113.4	S351 Q352 A353 L358 L359 S387	S351-G355 PolarHBondContact O-N 3.48Å; Q352-G355 PolarHBondContact O-N 2.86Å; A353-G355 PolarHBondContact O-N 3.29Å; G355-L358 PolarHBondContact O-N 2.82Å; G355-L359 PolarHBondContact O-N 3.38Å; G355-L359 VanDerWaalsContact O-N 3.1Å; G355-S387 PolarHBondContact N-OG 3.46Å
356	E	98.4	Very high	97.8	Very high	90 Å²	90	37.9 Å²	37.9	42%	0.421	20%	0.202	S	C	.	.	H	α-helix	trans	-64.7	-40.9	175.6	-65.7	-63.2	176.3	0	0	111.8	Q352 A353 L359 T360 K384	Q352-E356 WeakPolarHBondContact O-CG 3.5Å; Q352-E356 PolarHBondContact O-N 2.82Å; A353-E356 PolarHBondContact O-N 3.28Å; E356-L359 WeakPolarHBondContact O-CB 3.46Å; E356-L359 PolarHBondContact O-N 3.49Å; E356-T360 PolarHBondContact O-N 3.42Å; E356-T360 PolarHBondContact O-OG1 3.33Å; E356-K384 VanDerWaalsContact CD-CE 3.42Å; E356-K384 WeakPolarHBondContact OE1-CE 3.36Å; E356-K384 IonicContact OE1-NZ 2.73Å; E356-K384 PolarHBondContact OE1-NZ 2.9Å; E356-K384 WeakPolarHBondContact OE2-CE 3.39Å; E356-K384 IonicContact OE2-NZ 3.78Å; E356-K384 PolarHBondContact OE2-NZ 2.97Å
357	E	98.6	Very high	97.8	Very high	43 Å²	43	41.1 Å²	41.1	20%	0.201	23%	0.226	C	C	.	.	H	α-helix	trans	-64.8	-43	177.7	-177	171.9	-174.4	0	0	112.1	F339 K342 H343 A353 L359 T360 L361	F339-E357 HydrophobicContact CD2-CG 4.31Å; F339-E357 HydrophobicContact CE2-CB 4.31Å; F339-E357 HydrophobicContact CE2-CG 4.18Å; K342-E357 WeakPolarHBondContact CE-OE1 3.24Å; K342-E357 IonicContact NZ-OE1 2.93Å; K342-E357 PolarHBondContact NZ-OE1 3.2Å; H343-E357 IonicContact CD2-OE1 2.7Å; H343-E357 IonicContact CE1-OE1 2.86Å; H343-E357 IonicContact CE1-OE2 3.14Å; H343-E357 IonicContact NE2-OE1 3.81Å; H343-E357 PolarHBondContact NE2-OE1 3.26Å; H343-E357 IonicContact NE2-OE2 3.38Å; H343-E357 PolarHBondContact NE2-OE2 2.89Å; A353-E357 PolarHBondContact O-N 3.04Å; E357-L359 VanDerWaalsContact C-N 3.27Å; E357-L359 PolarHBondContact O-N 2.75Å; E357-T360 WeakPolarHBondContact O-CB 3.38Å; E357-T360 PolarHBondContact O-N 3.36Å; E357-T360 VanDerWaalsContact O-N 3.17Å; E357-L361 HydrophobicContact CG-CD1 4.47Å; E357-L361 WeakPolarHBondContact O-CG 3.39Å; E357-L361 PolarHBondContact O-N 3.22Å
358	L	98.6	Very high	97.6	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.3	-40.3	175.5	-167.2	80	0	0	0	111.1	A335 I336 F339 D354 G355 L361 A362 I383 M386 S387	A335-L358 VanDerWaalsContact C-CD1 3.5Å; A335-L358 HydrophobicContact CB-CD1 3.9Å; A335-L358 HydrophobicContact CB-CG 4.14Å; A335-L358 WeakPolarHBondContact O-CD1 3.36Å; I336-L358 HydrophobicContact CG1-CD1 4Å; I336-L358 HydrophobicContact CG1-CD2 4.09Å; F339-L358 HydrophobicContact CB-CD1 3.92Å; F339-L358 HydrophobicContact CD2-CD1 4.46Å; F339-L358 HydrophobicContact CG-CD1 4.42Å; D354-L358 WeakPolarHBondContact O-CB 3.46Å; D354-L358 PolarHBondContact O-N 3.43Å; G355-L358 PolarHBondContact O-N 2.82Å; L358-L361 PolarHBondContact O-N 2.85Å; L358-A362 WeakPolarHBondContact O-CB 3.44Å; L358-A362 PolarHBondContact O-N 3.14Å; L358-I383 HydrophobicContact CD2-CG2 4.19Å; L358-I383 WeakPolarHBondContact CD2-O 3.29Å; L358-I383 HydrophobicContact CG-CG2 4.38Å; L358-M386 HydrophobicContact CD2-CB 4.44Å; L358-S387 VanDerWaalsContact CD2-CB 3.49Å
359	L	98.7	Very high	97.5	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-63.1	-41.2	175.4	177.5	61.2	0	0	0	112	G355 E356 E357 A362 K363 E380 I383	G355-L359 PolarHBondContact O-N 3.38Å; G355-L359 VanDerWaalsContact O-N 3.1Å; E356-L359 WeakPolarHBondContact O-CB 3.46Å; E356-L359 PolarHBondContact O-N 3.49Å; E357-L359 VanDerWaalsContact C-N 3.27Å; E357-L359 PolarHBondContact O-N 2.75Å; L359-A362 PolarHBondContact O-N 2.88Å; L359-K363 HydrophobicContact CD1-CD 4.43Å; L359-K363 HydrophobicContact CD1-CG 4.39Å; L359-K363 HydrophobicContact CG-CD 4.31Å; L359-K363 WeakPolarHBondContact O-CG 3.43Å; L359-K363 PolarHBondContact O-N 2.69Å; L359-E380 HydrophobicContact CD1-CB 4.09Å; L359-E380 HydrophobicContact CD1-CG 4.02Å; L359-E380 HydrophobicContact CD2-CB 3.81Å; L359-E380 HydrophobicContact CD2-CG 3.95Å; L359-I383 HydrophobicContact CB-CG2 4.38Å; L359-I383 HydrophobicContact CD1-CB 4.22Å; L359-I383 HydrophobicContact CD1-CG2 4.21Å
360	T	98.6	Very high	97.2	Very high	73 Å²	73	48 Å²	48	45%	0.448	27%	0.274	S	S	.	.	H	α-helix	trans	-59.3	-49	173.4	-59.4	0	0	0	0	111.1	E356 E357 A362 K363 E364	E356-T360 PolarHBondContact O-N 3.42Å; E356-T360 PolarHBondContact O-OG1 3.33Å; E357-T360 WeakPolarHBondContact O-CB 3.38Å; E357-T360 PolarHBondContact O-N 3.36Å; E357-T360 VanDerWaalsContact O-N 3.17Å; T360-A362 VanDerWaalsContact C-N 3.33Å; T360-A362 PolarHBondContact O-N 2.95Å; T360-K363 PolarHBondContact O-N 3.49Å; T360-E364 WeakPolarHBondContact O-CG 3.49Å; T360-E364 PolarHBondContact O-N 3.03Å
361	L	98.6	Very high	97	Very high	20 Å²	20	50.3 Å²	50.3	11%	0.105	30%	0.303	C	S	.	.	H	α-helix	trans	-60.1	-42	177.1	-69.1	171.9	0	0	0	112	A335 F339 E357 L358 K363 E364 L365	A335-L361 HydrophobicContact CB-CB 4.37Å; F339-L361 HydrophobicContact CB-CD1 3.86Å; F339-L361 HydrophobicContact CD2-CD1 4.09Å; F339-L361 HydrophobicContact CG-CD1 4.47Å; E357-L361 HydrophobicContact CG-CD1 4.47Å; E357-L361 WeakPolarHBondContact O-CG 3.39Å; E357-L361 PolarHBondContact O-N 3.22Å; L358-L361 PolarHBondContact O-N 2.85Å; L361-K363 PolarHBondContact O-N 2.86Å; L361-E364 PolarHBondContact O-N 3.46Å; L361-L365 WeakPolarHBondContact O-CB 3.35Å; L361-L365 VanDerWaalsContact O-CG 3.3Å; L361-L365 WeakPolarHBondContact O-CG 3.42Å; L361-L365 PolarHBondContact O-N 3.44Å
362	A	98.6	Very high	96.7	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-63	-41.4	176.8	0	0	0	0	0	112	I331 A335 L358 L359 T360 L365 N366 L378 I383	I331-A362 HydrophobicContact CG2-CB 4.02Å; A335-A362 HydrophobicContact CB-CB 3.97Å; L358-A362 WeakPolarHBondContact O-CB 3.44Å; L358-A362 PolarHBondContact O-N 3.14Å; L359-A362 PolarHBondContact O-N 2.88Å; T360-A362 VanDerWaalsContact C-N 3.33Å; T360-A362 PolarHBondContact O-N 2.95Å; A362-L365 PolarHBondContact O-N 2.77Å; A362-N366 VanDerWaalsContact O-CB 3.29Å; A362-N366 WeakPolarHBondContact O-CB 3.38Å; A362-N366 PolarHBondContact O-N 2.98Å; A362-L378 HydrophobicContact CB-CD1 4.24Å; A362-I383 HydrophobicContact CB-CG1 4.48Å; A362-I383 HydrophobicContact CB-CG2 3.86Å
363	K	98.4	Very high	96.7	Very high	92 Å²	92	48.7 Å²	48.7	40%	0.4	30%	0.302	S	S	.	.	H	α-helix	trans	-62.7	-43.7	175.1	-76.3	173.3	175.8	176.3	0	111.8	L359 T360 L361 S367 L378 E380	L359-K363 HydrophobicContact CD1-CD 4.43Å; L359-K363 HydrophobicContact CD1-CG 4.39Å; L359-K363 HydrophobicContact CG-CD 4.31Å; L359-K363 WeakPolarHBondContact O-CG 3.43Å; L359-K363 PolarHBondContact O-N 2.69Å; T360-K363 PolarHBondContact O-N 3.49Å; L361-K363 PolarHBondContact O-N 2.86Å; K363-S367 WeakPolarHBondContact O-CB 3.29Å; K363-S367 PolarHBondContact O-N 3.47Å; K363-L378 HydrophobicContact CB-CD1 4.39Å; K363-L378 HydrophobicContact CG-CD1 3.83Å; K363-E380 VanDerWaalsContact CE-OE1 3.29Å; K363-E380 WeakPolarHBondContact CE-OE1 3.42Å; K363-E380 IonicContact NZ-OE1 2.82Å; K363-E380 PolarHBondContact NZ-OE1 2.7Å; K363-E380 IonicContact NZ-OE2 2.99Å
364	E	97.8	Very high	96.6	Very high	114 Å²	114	50.5 Å²	50.5	53%	0.533	30%	0.297	S	S	.	.	H	α-helix	trans	-61.4	-50.1	175.9	-72	173.7	-175.8	0	0	111.2	T360 L361 N366 S367 A368	T360-E364 WeakPolarHBondContact O-CG 3.49Å; T360-E364 PolarHBondContact O-N 3.03Å; L361-E364 PolarHBondContact O-N 3.46Å; E364-N366 PolarHBondContact O-N 3.13Å; E364-S367 PolarHBondContact O-N 3.2Å; E364-S367 PolarHBondContact O-OG 3.46Å; E364-A368 PolarHBondContact O-N 2.69Å
365	L	97.1	Very high	96.5	Very high	48 Å²	48	50.8 Å²	50.8	25%	0.251	30%	0.299	S	S	.	.	H	α-helix	trans	-58.6	-49.1	177.4	-73.2	168.4	0	0	0	111.5	I331 Q334 A335 A338 L361 A362 S367 A368 Q369	I331-L365 HydrophobicContact CG2-CB 4.42Å; Q334-L365 HydrophobicContact CB-CD1 3.99Å; A335-L365 HydrophobicContact CB-CD1 4Å; A338-L365 HydrophobicContact CB-CD1 4.47Å; L361-L365 WeakPolarHBondContact O-CB 3.35Å; L361-L365 VanDerWaalsContact O-CG 3.3Å; L361-L365 WeakPolarHBondContact O-CG 3.42Å; L361-L365 PolarHBondContact O-N 3.44Å; A362-L365 PolarHBondContact O-N 2.77Å; L365-S367 VanDerWaalsContact C-N 3.27Å; L365-S367 PolarHBondContact O-N 3.19Å; L365-A368 WeakPolarHBondContact O-CB 3.42Å; L365-A368 PolarHBondContact O-N 3.48Å; L365-A368 VanDerWaalsContact O-N 3.09Å; L365-Q369 WeakPolarHBondContact O-CG 3.38Å; L365-Q369 PolarHBondContact O-N 2.91Å
366	N	97.9	Very high	96.3	Very high	15 Å²	15	60.4 Å²	60.4	8%	0.08	34%	0.344	C	S	.	.	H	α-helix	trans	-60.8	-35.7	178.8	-170.2	38.4	0	0	0	112.7	I331 A362 E364 A368 Q369 V375 L378	I331-N366 HydrophobicContact CD1-CB 3.85Å; I331-N366 WeakPolarHBondContact CD1-OD1 3.34Å; I331-N366 HydrophobicContact CG2-CB 4.41Å; A362-N366 VanDerWaalsContact O-CB 3.29Å; A362-N366 WeakPolarHBondContact O-CB 3.38Å; A362-N366 PolarHBondContact O-N 2.98Å; E364-N366 PolarHBondContact O-N 3.13Å; N366-A368 PolarHBondContact O-N 2.77Å; N366-Q369 PolarHBondContact O-N 2.92Å; N366-Q369 VanDerWaalsContact O-N 3.17Å; N366-V375 PolarHBondContact ND2-O 3.17Å; N366-V375 PolarHBondContact OD1-N 2.94Å; N366-V375 PolarHBondContact OD1-O 3.41Å; N366-L378 HydrophobicContact CB-CD1 3.95Å; N366-L378 HydrophobicContact CB-CD2 4.41Å; N366-L378 HydrophobicContact CB-CG 4.34Å
367	S	96.7	Very high	96.2	Very high	89 Å²	89	63.8 Å²	63.8	62%	0.622	36%	0.36	S	S	*	.	H	α-helix	trans	-65.2	-29.1	177.5	77.9	0	0	0	0	113	K363 E364 L365	K363-S367 WeakPolarHBondContact O-CB 3.29Å; K363-S367 PolarHBondContact O-N 3.47Å; E364-S367 PolarHBondContact O-N 3.2Å; E364-S367 PolarHBondContact O-OG 3.46Å; L365-S367 VanDerWaalsContact C-N 3.27Å; L365-S367 PolarHBondContact O-N 3.19Å
368	A	94.5	Very high	96.1	Very high	81 Å²	81	62.6 Å²	62.6	67%	0.669	36%	0.355	S	S	*	.	H	α-helix	trans	-83.4	-15	176	0	0	0	0	0	113.4	E364 L365 N366	E364-A368 PolarHBondContact O-N 2.69Å; L365-A368 WeakPolarHBondContact O-CB 3.42Å; L365-A368 PolarHBondContact O-N 3.48Å; L365-A368 VanDerWaalsContact O-N 3.09Å; N366-A368 PolarHBondContact O-N 2.77Å
369	Q	93.9	Very high	96.1	Very high	31 Å²	31	65.4 Å²	65.4	15%	0.145	37%	0.37	C	S	.	.			trans	-77.4	156.6	177.6	-64.2	-61.4	-6.3	0	0	112.5	L365 N366 A373 K374	L365-Q369 WeakPolarHBondContact O-CG 3.38Å; L365-Q369 PolarHBondContact O-N 2.91Å; N366-Q369 PolarHBondContact O-N 2.92Å; N366-Q369 VanDerWaalsContact O-N 3.17Å; Q369-A373 HydrophobicContact CB-CB 4.29Å; Q369-A373 HydrophobicContact CG-CB 4.28Å; Q369-K374 HydrophobicContact CB-CB 4.09Å
370	T	91.4	Very high	96.1	Very high	105 Å²	105	69.4 Å²	69.4	64%	0.644	39%	0.389	S	S	*	.			trans	-139.4	170.4	173.4	61.3	0	0	0	0	109.9	A373	T370-A373 PolarHBondContact O-N 2.89Å
371	G	91.9	Very high	96	Very high	65 Å²	65	68.8 Å²	68.8	67%	0.67	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	61.6	-141.5	176.1	0	0	0	0	0	113.2	A373 K374	G371-A373 VanDerWaalsContact C-N 3.29Å; G371-A373 PolarHBondContact O-N 3.48Å; G371-K374 PolarHBondContact O-N 2.96Å
372	S	92	Very high	96	Very high	68 Å²	68	68.1 Å²	68.1	48%	0.476	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-72.5	-16.3	-176.7	57.2	0	0	0	0	114.5	E312 P313	E312-S372 WeakPolarHBondContact CA-OG 3.39Å; P313-S372 WeakPolarHBondContact CD-OG 2.88Å
373	A	94.3	Very high	96	Very high	2 Å²	2	68.1 Å²	68.1	2%	0.017	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-79.6	-19	174.3	0	0	0	0	0	113.2	A311 P313 Q369 T370 G371	A311-A373 VanDerWaalsContact O-CB 3.24Å; A311-A373 WeakPolarHBondContact O-CB 3.46Å; P313-A373 HydrophobicContact CG-CB 4.18Å; Q369-A373 HydrophobicContact CB-CB 4.29Å; Q369-A373 HydrophobicContact CG-CB 4.28Å; T370-A373 PolarHBondContact O-N 2.89Å; G371-A373 VanDerWaalsContact C-N 3.29Å; G371-A373 PolarHBondContact O-N 3.48Å
374	K	96.4	Very high	96	Very high	109 Å²	109	65.5 Å²	65.5	47%	0.474	38%	0.376	S	S	.	.			trans	-80.1	127.3	179.4	-173.4	173.6	-170.9	157.9	0	110.4	Q369 G371	Q369-K374 HydrophobicContact CB-CB 4.09Å; G371-K374 PolarHBondContact O-N 2.96Å
375	V	96.6	Very high	95.9	Very high	18 Å²	18	64.1 Å²	64.1	11%	0.109	37%	0.368	C	S	.	.			trans	-97.2	128.4	173.2	172.7	0	0	0	0	109.2	I331 N366 Q377 L378	I331-V375 HydrophobicContact CD1-CB 3.73Å; I331-V375 HydrophobicContact CD1-CG2 3.43Å; I331-V375 VanDerWaalsContact CD1-CG2 3.43Å; I331-V375 HydrophobicContact CG1-CG2 4.49Å; N366-V375 PolarHBondContact ND2-O 3.17Å; N366-V375 PolarHBondContact OD1-N 2.94Å; N366-V375 PolarHBondContact OD1-O 3.41Å; V375-Q377 VanDerWaalsContact CG1-O 3.27Å; V375-Q377 WeakPolarHBondContact CG1-O 3.32Å; V375-L378 HydrophobicContact CB-CD2 4.28Å; V375-L378 HydrophobicContact CG1-CD2 4.2Å
376	E	94.2	Very high	96	Very high	202 Å²	202	61.9 Å²	61.9	94%	0.944	36%	0.356	S	S	*	.	S	Bend	trans	-61.8	-46.9	-177.4	-65.7	-169.3	162.3	0	0	112.4
377	Q	95.6	Very high	96	Very high	161 Å²	161	61.1 Å²	61.1	75%	0.752	35%	0.352	S	S	*	.	S	Bend	trans	-134.9	121.1	177.5	-176.3	175.9	-5.4	0	0	109.7	Q328 V375	Q328-Q377 PolarHBondContact NE2-O 3.08Å; V375-Q377 VanDerWaalsContact CG1-O 3.27Å; V375-Q377 WeakPolarHBondContact CG1-O 3.32Å
378	L	97.4	Very high	96.1	Very high	18 Å²	18	57.5 Å²	57.5	9%	0.094	33%	0.325	C	S	.	.			trans	-73.1	134.6	175.3	-73	174.3	0	0	0	110.6	Q328 I331 A362 K363 N366 V375 E380	Q328-L378 VanDerWaalsContact OE1-CA 3.31Å; I331-L378 HydrophobicContact CB-CD2 4.48Å; I331-L378 HydrophobicContact CD1-CD2 3.82Å; I331-L378 HydrophobicContact CG2-CD2 4.28Å; A362-L378 HydrophobicContact CB-CD1 4.24Å; K363-L378 HydrophobicContact CB-CD1 4.39Å; K363-L378 HydrophobicContact CG-CD1 3.83Å; N366-L378 HydrophobicContact CB-CD1 3.95Å; N366-L378 HydrophobicContact CB-CD2 4.41Å; N366-L378 HydrophobicContact CB-CG 4.34Å; V375-L378 HydrophobicContact CB-CD2 4.28Å; V375-L378 HydrophobicContact CG1-CD2 4.2Å; L378-E380 PolarHBondContact O-N 3.24Å
379	D	98	Very high	96.3	Very high	60 Å²	60	53.7 Å²	53.7	32%	0.321	29%	0.294	S	S	.	.			trans	-77.3	97.5	168	-177.8	-18.6	0	0	0	109.2	A381 L382 I383	D379-A381 VanDerWaalsContact C-N 3.26Å; D379-A381 PolarHBondContact O-N 3.02Å; D379-A381 PolarHBondContact OD1-N 2.8Å; D379-L382 HydrophobicContact CB-CB 3.82Å; D379-L382 HydrophobicContact CB-CD2 4.48Å; D379-L382 VanDerWaalsContact CG-CB 3.43Å; D379-L382 PolarHBondContact O-N 2.63Å; D379-L382 PolarHBondContact OD1-N 2.98Å; D379-I383 WeakPolarHBondContact O-CG1 3.21Å; D379-I383 PolarHBondContact O-N 3.23Å
380	E	98.1	Very high	96.5	Very high	87 Å²	87	52.2 Å²	52.2	41%	0.407	29%	0.287	S	S	.	.	H	α-helix	trans	-60.3	-35.6	-177	-55.5	-161.2	168.5	0	0	112.9	L359 K363 L378 K384	L359-E380 HydrophobicContact CD1-CB 4.09Å; L359-E380 HydrophobicContact CD1-CG 4.02Å; L359-E380 HydrophobicContact CD2-CB 3.81Å; L359-E380 HydrophobicContact CD2-CG 3.95Å; K363-E380 VanDerWaalsContact CE-OE1 3.29Å; K363-E380 WeakPolarHBondContact CE-OE1 3.42Å; K363-E380 IonicContact NZ-OE1 2.82Å; K363-E380 PolarHBondContact NZ-OE1 2.7Å; K363-E380 IonicContact NZ-OE2 2.99Å; L378-E380 PolarHBondContact O-N 3.24Å; E380-K384 WeakPolarHBondContact O-CB 3.17Å; E380-K384 VanDerWaalsContact O-CG 3.29Å; E380-K384 WeakPolarHBondContact O-CG 3.46Å; E380-K384 PolarHBondContact O-N 2.64Å
381	A	96.8	Very high	96.7	Very high	60 Å²	60	47.6 Å²	47.6	50%	0.496	26%	0.259	S	S	.	.	H	α-helix	trans	-71.6	-40.7	-178.9	0	0	0	0	0	110.8	D379 K384 K385	D379-A381 VanDerWaalsContact C-N 3.26Å; D379-A381 PolarHBondContact O-N 3.02Å; D379-A381 PolarHBondContact OD1-N 2.8Å; A381-K384 PolarHBondContact O-N 2.75Å; A381-K385 WeakPolarHBondContact O-CG 3.5Å; A381-K385 PolarHBondContact O-N 3.5Å
382	L	98	Very high	97	Very high	6 Å²	6	44.8 Å²	44.8	3%	0.031	23%	0.23	C	C	.	.	H	α-helix	trans	-62.5	-47.3	174.8	-178.7	59.6	0	0	0	111.6	F195 R325 Q328 L329 D379 K384 K385 M386 L429	F195-L382 HydrophobicContact CE1-CD1 3.85Å; F195-L382 HydrophobicContact CZ-CD1 4.1Å; R325-L382 HydrophobicContact CB-CD2 4.45Å; R325-L382 HydrophobicContact CG-CD2 4.13Å; Q328-L382 HydrophobicContact CB-CD2 3.69Å; Q328-L382 HydrophobicContact CG-CD2 4.16Å; L329-L382 HydrophobicContact CD2-CD1 4.31Å; L329-L382 HydrophobicContact CD2-CD2 4.25Å; L329-L382 HydrophobicContact CD2-CG 4.36Å; D379-L382 HydrophobicContact CB-CB 3.82Å; D379-L382 HydrophobicContact CB-CD2 4.48Å; D379-L382 VanDerWaalsContact CG-CB 3.43Å; D379-L382 PolarHBondContact O-N 2.63Å; D379-L382 PolarHBondContact OD1-N 2.98Å; L382-K384 PolarHBondContact O-N 3.1Å; L382-K385 WeakPolarHBondContact O-CB 3.39Å; L382-K385 PolarHBondContact O-N 3.23Å; L382-M386 WeakPolarHBondContact O-CG 3.47Å; L382-M386 PolarHBondContact O-N 3.2Å; L382-L429 HydrophobicContact CD1-CD1 3.57Å
383	I	98.5	Very high	97.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.9	-42.2	178.6	-61.7	-59.9	0	0	0	111.2	L358 L359 A362 D379 K385 M386 S387	L358-I383 HydrophobicContact CD2-CG2 4.19Å; L358-I383 WeakPolarHBondContact CD2-O 3.29Å; L358-I383 HydrophobicContact CG-CG2 4.38Å; L359-I383 HydrophobicContact CB-CG2 4.38Å; L359-I383 HydrophobicContact CD1-CB 4.22Å; L359-I383 HydrophobicContact CD1-CG2 4.21Å; A362-I383 HydrophobicContact CB-CG1 4.48Å; A362-I383 HydrophobicContact CB-CG2 3.86Å; D379-I383 WeakPolarHBondContact O-CG1 3.21Å; D379-I383 PolarHBondContact O-N 3.23Å; I383-K385 PolarHBondContact O-N 3.42Å; I383-M386 HydrophobicContact CD1-SD 4.26Å; I383-M386 WeakPolarHBondContact O-CB 3.41Å; I383-M386 PolarHBondContact O-N 3.44Å; I383-S387 PolarHBondContact O-N 3.16Å; I383-S387 VanDerWaalsContact O-N 3.11Å
384	K	98	Very high	97.6	Very high	36 Å²	36	42.3 Å²	42.3	16%	0.157	21%	0.211	C	C	.	.	H	α-helix	trans	-61.1	-42.8	174.3	-76	176.1	-179.2	-179.2	0	112	E356 E380 A381 L382 M386 S387 Y388	E356-K384 VanDerWaalsContact CD-CE 3.42Å; E356-K384 WeakPolarHBondContact OE1-CE 3.36Å; E356-K384 IonicContact OE1-NZ 2.73Å; E356-K384 PolarHBondContact OE1-NZ 2.9Å; E356-K384 WeakPolarHBondContact OE2-CE 3.39Å; E356-K384 IonicContact OE2-NZ 3.78Å; E356-K384 PolarHBondContact OE2-NZ 2.97Å; E380-K384 WeakPolarHBondContact O-CB 3.17Å; E380-K384 VanDerWaalsContact O-CG 3.29Å; E380-K384 WeakPolarHBondContact O-CG 3.46Å; E380-K384 PolarHBondContact O-N 2.64Å; A381-K384 PolarHBondContact O-N 2.75Å; L382-K384 PolarHBondContact O-N 3.1Å; K384-M386 VanDerWaalsContact C-N 3.31Å; K384-M386 PolarHBondContact O-N 2.94Å; K384-S387 WeakPolarHBondContact O-CA 3.22Å; K384-S387 WeakPolarHBondContact O-CB 3.39Å; K384-S387 PolarHBondContact O-N 3.02Å; K384-Y388 HydrophobicContact CB-CE2 4.24Å; K384-Y388 WeakPolarHBondContact O-CD1 3.37Å; K384-Y388 VanDerWaalsContact O-CG 3.29Å; K384-Y388 PolarHBondContact O-N 2.91Å
385	K	97.4	Very high	97.7	Very high	86 Å²	86	37.2 Å²	37.2	37%	0.374	19%	0.189	S	C	.	.	H	α-helix	trans	-59.9	-39.6	173.6	-76.6	-179.3	180	-179.2	0	112.2	F195 A381 L382 I383 S387 Y388 L389 L429	F195-K385 HydrophobicContact CZ-CB 4.38Å; A381-K385 WeakPolarHBondContact O-CG 3.5Å; A381-K385 PolarHBondContact O-N 3.5Å; L382-K385 WeakPolarHBondContact O-CB 3.39Å; L382-K385 PolarHBondContact O-N 3.23Å; I383-K385 PolarHBondContact O-N 3.42Å; K385-S387 VanDerWaalsContact C-N 3.26Å; K385-S387 PolarHBondContact O-N 3.39Å; K385-Y388 PolarHBondContact O-N 3.14Å; K385-L389 WeakPolarHBondContact O-CG 3.38Å; K385-L389 PolarHBondContact O-N 2.95Å; K385-L389 VanDerWaalsContact O-N 3.09Å; K385-L429 HydrophobicContact CD-CD1 4.04Å; K385-L429 HydrophobicContact CD-CD2 4.26Å
386	M	98.4	Very high	97.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.3	-38.5	173.1	-68.3	-176.1	76.7	0	0	112	F195 L329 F333 I336 L358 L382 I383 K384 A390	F195-M386 HydrophobicContact CD1-CG 4.13Å; F195-M386 HydrophobicContact CD2-CG 4.05Å; F195-M386 HydrophobicContact CE1-CG 3.76Å; F195-M386 HydrophobicContact CE2-CB 4.16Å; F195-M386 HydrophobicContact CE2-CG 3.67Å; F195-M386 HydrophobicContact CG-CG 4.26Å; F195-M386 HydrophobicContact CZ-CB 4.38Å; F195-M386 HydrophobicContact CZ-CG 3.48Å; F195-M386 VanDerWaalsContact CZ-CG 3.48Å; L329-M386 HydrophobicContact CD2-CE 4.02Å; L329-M386 HydrophobicContact CD2-CG 4.24Å; L329-M386 HydrophobicContact CD2-SD 3.5Å; L329-M386 WeakPolarHBondContact CD2-SD 3.41Å; F333-M386 HydrophobicContact CD2-CE 3.52Å; F333-M386 HydrophobicContact CE2-CE 3.8Å; F333-M386 HydrophobicContact CG-CE 4.16Å; I336-M386 HydrophobicContact CD1-CB 4.31Å; I336-M386 HydrophobicContact CD1-CE 4.15Å; L358-M386 HydrophobicContact CD2-CB 4.44Å; L382-M386 WeakPolarHBondContact O-CG 3.47Å; L382-M386 PolarHBondContact O-N 3.2Å; I383-M386 HydrophobicContact CD1-SD 4.26Å; I383-M386 WeakPolarHBondContact O-CB 3.41Å; I383-M386 PolarHBondContact O-N 3.44Å; K384-M386 VanDerWaalsContact C-N 3.31Å; K384-M386 PolarHBondContact O-N 2.94Å; M386-A390 WeakPolarHBondContact O-CA 3.34Å; M386-A390 WeakPolarHBondContact O-CB 3.12Å; M386-A390 PolarHBondContact O-N 2.91Å
387	S	98.5	Very high	98	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.8	-52.4	173.2	-161	0	0	0	0	111.6	P347 D354 G355 L358 I383 K384 K385 L389 A390	P347-S387 WeakPolarHBondContact CB-O 3.47Å; P347-S387 VanDerWaalsContact CB-OG 3.29Å; P347-S387 WeakPolarHBondContact CB-OG 3.14Å; D354-S387 PolarHBondContact O-OG 3.28Å; D354-S387 VanDerWaalsContact O-OG 3.12Å; G355-S387 PolarHBondContact N-OG 3.46Å; L358-S387 VanDerWaalsContact CD2-CB 3.49Å; I383-S387 PolarHBondContact O-N 3.16Å; I383-S387 VanDerWaalsContact O-N 3.11Å; K384-S387 WeakPolarHBondContact O-CA 3.22Å; K384-S387 WeakPolarHBondContact O-CB 3.39Å; K384-S387 PolarHBondContact O-N 3.02Å; K385-S387 VanDerWaalsContact C-N 3.26Å; K385-S387 PolarHBondContact O-N 3.39Å; S387-L389 PolarHBondContact O-N 3.2Å; S387-L389 VanDerWaalsContact O-N 3.13Å; S387-A390 WeakPolarHBondContact O-CB 3.25Å; S387-A390 PolarHBondContact O-N 3.38Å; S387-A390 VanDerWaalsContact O-N 3.12Å
388	Y	98	Very high	98.2	Very high	13 Å²	13	19.1 Å²	19.1	5%	0.051	10%	0.104	C	C	.	.	H	α-helix	trans	-58.8	-33.2	-176.1	-57.7	-19.4	0	0	0	112.9	P349 W350 S351 Q352 K384 K385	P349-Y388 WeakPolarHBondContact CA-O 3.28Å; W350-Y388 HydrophobicContact CE3-CD2 4.01Å; W350-Y388 HydrophobicContact CE3-CG 4.37Å; W350-Y388 HydrophobicContact CZ3-CD2 4.24Å; W350-Y388 PolarHBondContact N-O 3.14Å; S351-Y388 WeakPolarHBondContact O-CE1 3.41Å; Q352-Y388 PolarHBondContact NE2-OH 2.67Å; Q352-Y388 PolarHBondContact OE1-OH 3.19Å; K384-Y388 HydrophobicContact CB-CE2 4.24Å; K384-Y388 WeakPolarHBondContact O-CD1 3.37Å; K384-Y388 VanDerWaalsContact O-CG 3.29Å; K384-Y388 PolarHBondContact O-N 2.91Å; K385-Y388 PolarHBondContact O-N 3.14Å
389	L	97.9	Very high	98.2	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-100.5	-0.7	-176.4	-53.7	-171.3	0	0	0	113.5	R192 G193 L194 F195 W350 K385 S387 A391 G392 L429 L432 V458	R192-L389 CarbonylContact C-O 3.54Å; G193-L389 WeakPolarHBondContact CA-O 3.47Å; G193-L389 PolarHBondContact N-O 3.1Å; L194-L389 HydrophobicContact CB-CD1 4.01Å; L194-L389 HydrophobicContact CD1-CD1 3.93Å; L194-L389 HydrophobicContact CG-CD1 4.19Å; F195-L389 HydrophobicContact CD2-CB 4.47Å; F195-L389 HydrophobicContact CE2-CB 4.3Å; F195-L389 HydrophobicContact CE2-CD1 3.97Å; F195-L389 HydrophobicContact CE2-CG 4.5Å; W350-L389 HydrophobicContact CZ2-CD2 3.99Å; K385-L389 WeakPolarHBondContact O-CG 3.38Å; K385-L389 PolarHBondContact O-N 2.95Å; K385-L389 VanDerWaalsContact O-N 3.09Å; S387-L389 PolarHBondContact O-N 3.2Å; S387-L389 VanDerWaalsContact O-N 3.13Å; L389-A391 PolarHBondContact O-N 3.08Å; L389-A391 VanDerWaalsContact O-N 3.16Å; L389-G392 PolarHBondContact O-N 3.17Å; L389-L429 HydrophobicContact CD1-CD2 3.91Å; L389-L432 HydrophobicContact CD1-CD1 4.46Å; L389-V458 HydrophobicContact CD1-CG1 4.49Å; L389-V458 HydrophobicContact CD2-CB 4.34Å; L389-V458 HydrophobicContact CD2-CG1 3.93Å; L389-V458 HydrophobicContact CD2-CG2 4.47Å
390	A	98.1	Very high	98.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-32.5	-171.7	0	0	0	0	0	113.7	R192 I336 P347 M386 S387 G392	R192-A390 VanDerWaalsContact CD-O 3.31Å; R192-A390 WeakPolarHBondContact CD-O 3.3Å; I336-A390 HydrophobicContact CD1-CB 4.18Å; I336-A390 HydrophobicContact CG1-CB 4.46Å; P347-A390 HydrophobicContact CB-CB 4.2Å; P347-A390 HydrophobicContact CG-CB 3.94Å; M386-A390 WeakPolarHBondContact O-CA 3.34Å; M386-A390 WeakPolarHBondContact O-CB 3.12Å; M386-A390 PolarHBondContact O-N 2.91Å; S387-A390 WeakPolarHBondContact O-CB 3.25Å; S387-A390 PolarHBondContact O-N 3.38Å; S387-A390 VanDerWaalsContact O-N 3.12Å; A390-G392 VanDerWaalsContact C-N 3.31Å
391	A	97.2	Very high	98.3	Very high	8 Å²	8	11.3 Å²	11.3	7%	0.066	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-3	177	0	0	0	0	0	113.6	R110 P349 L389	R110-A391 PolarHBondContact NH2-O 3.19Å; P349-A391 HydrophobicContact CG-CB 4Å; L389-A391 PolarHBondContact O-N 3.08Å; L389-A391 VanDerWaalsContact O-N 3.16Å
392	G	98.2	Very high	98.4	Very high	6 Å²	6	8.5 Å²	8.5	6%	0.062	4%	0.041	C	C	.	.			trans	-70.6	144.7	177.6	0	0	0	0	0	113	G193 L389 A390 G454	G193-G392 PolarHBondContact N-O 2.96Å; L389-G392 PolarHBondContact O-N 3.17Å; A390-G392 VanDerWaalsContact C-N 3.31Å; G392-G454 CarbonylContact C-O 3.27Å; G392-G454 VanDerWaalsContact CA-O 3.28Å; G392-G454 WeakPolarHBondContact CA-O 3.45Å
393	D	98.6	Very high	98.4	Very high	16 Å²	16	8.2 Å²	8.2	9%	0.086	4%	0.04	C	C	.	.			trans	-137.5	108.5	172	-177	37.8	0	0	0	109.3	S114 N398 G454	S114-D393 VanDerWaalsContact OG-CG 3.24Å; S114-D393 PolarHBondContact OG-OD1 2.81Å; S114-D393 PolarHBondContact OG-OD2 3.12Å; D393-N398 PolarHBondContact OD1-ND2 3.46Å; D393-G454 PolarHBondContact N-O 3.31Å; D393-G454 CarbonylContact O-C 3.55Å
394	L	98.9	Very high	98.5	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.005	4%	0.04	C	C	.	.			trans	-116.6	121.8	-170	-62	-176.6	0	0	0	110.6	G193 L194 P396 I397 N398 Q455 V458 F459	G193-L394 WeakPolarHBondContact O-CD1 3.41Å; L194-L394 HydrophobicContact CD2-CD1 3.56Å; L194-L394 HydrophobicContact CG-CD1 3.98Å; L394-P396 VanDerWaalsContact C-CD 3.49Å; L394-P396 VanDerWaalsContact C-N 3.31Å; L394-I397 HydrophobicContact CB-CB 4.32Å; L394-I397 HydrophobicContact CB-CG1 4.17Å; L394-I397 HydrophobicContact CD1-CG1 4.24Å; L394-I397 PolarHBondContact O-N 3.31Å; L394-N398 PolarHBondContact O-N 3.21Å; L394-N398 PolarHBondContact O-ND2 2.86Å; L394-Q455 HydrophobicContact CD2-CB 4.03Å; L394-Q455 HydrophobicContact CD2-CG 3.81Å; L394-V458 HydrophobicContact CD1-CG1 4.28Å; L394-V458 HydrophobicContact CD1-CG2 4.2Å; L394-V458 HydrophobicContact CD2-CB 4.32Å; L394-V458 HydrophobicContact CD2-CG2 4.03Å; L394-V458 HydrophobicContact CG-CG2 4.14Å; L394-F459 HydrophobicContact CD1-CE2 4Å; L394-F459 HydrophobicContact CD1-CZ 4.25Å; L394-F459 HydrophobicContact CD2-CD2 4.33Å; L394-F459 HydrophobicContact CD2-CE2 3.87Å
395	S	98.8	Very high	98.5	Very high	2 Å²	2	6.5 Å²	6.5	1%	0.014	3%	0.032	C	C	.	.	H	α-helix	trans	-50.9	-43	174.7	-176.9	0	0	0	0	113.3	I397 N398 A399 N487	S395-I397 PolarHBondContact O-N 2.8Å; S395-N398 PolarHBondContact O-N 3.44Å; S395-A399 WeakPolarHBondContact O-CB 3.43Å; S395-A399 PolarHBondContact O-N 2.94Å; S395-N487 PolarHBondContact O-OD1 3.29Å; S395-N487 PolarHBondContact OG-OD1 3.04Å
396	P	98.9	Very high	98.6	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-64.3	-40	179.8	-29.3	41.2	0	0	0	114.7	L394 A399 F400 I491 G902 C905 L906 F909	L394-P396 VanDerWaalsContact C-CD 3.49Å; L394-P396 VanDerWaalsContact C-N 3.31Å; P396-A399 PolarHBondContact O-N 3.05Å; P396-F400 PolarHBondContact O-N 3.44Å; P396-I491 HydrophobicContact CG-CD1 3.91Å; P396-I491 HydrophobicContact CG-CG1 4.32Å; P396-G902 WeakPolarHBondContact CB-O 3.37Å; P396-G902 VanDerWaalsContact O-CA 3.24Å; P396-G902 WeakPolarHBondContact O-CA 3.42Å; P396-C905 HydrophobicContact CB-CB 3.8Å; P396-C905 HydrophobicContact CG-CB 3.52Å; P396-L906 HydrophobicContact CB-CD2 3.87Å; P396-L906 HydrophobicContact CB-CG 4.01Å; P396-F909 HydrophobicContact CG-CE2 3.8Å; P396-F909 HydrophobicContact CG-CZ 4.17Å
397	I	98.9	Very high	98.6	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-69.8	-40.7	177.3	-62.7	-69.5	0	0	0	110.2	T191 G193 L394 S395 A399 F400 I401 F426 A428 L906	T191-I397 HydrophobicContact CG2-CG2 3.61Å; G193-I397 WeakPolarHBondContact O-CG1 3.49Å; L394-I397 HydrophobicContact CB-CB 4.32Å; L394-I397 HydrophobicContact CB-CG1 4.17Å; L394-I397 HydrophobicContact CD1-CG1 4.24Å; L394-I397 PolarHBondContact O-N 3.31Å; S395-I397 PolarHBondContact O-N 2.8Å; I397-A399 VanDerWaalsContact C-N 3.33Å; I397-A399 PolarHBondContact O-N 3.15Å; I397-F400 PolarHBondContact O-N 2.94Å; I397-I401 HydrophobicContact CG2-CG1 4.28Å; I397-I401 WeakPolarHBondContact O-CG1 3.38Å; I397-I401 PolarHBondContact O-N 3.4Å; I397-F426 HydrophobicContact CD1-CD1 4.12Å; I397-F426 HydrophobicContact CD1-CE1 3.65Å; I397-A428 HydrophobicContact CD1-CB 4.22Å; I397-L906 HydrophobicContact CD1-CD1 3.91Å; I397-L906 HydrophobicContact CD1-CD2 3.74Å; I397-L906 HydrophobicContact CD1-CG 4.44Å; I397-L906 HydrophobicContact CG1-CD2 4.06Å
398	N	98.9	Very high	98.6	Very high	2 Å²	2	2.4 Å²	2.4	1%	0.011	2%	0.015	C	C	.	.	H	α-helix	trans	-63.2	-38.8	174.1	-69.8	-22.7	0	0	0	112	E86 S114 T191 D393 L394 S395 G402	E86-N398 WeakPolarHBondContact CG-O 3.41Å; S114-N398 WeakPolarHBondContact CB-ND2 3.42Å; S114-N398 PolarHBondContact OG-ND2 2.94Å; T191-N398 WeakPolarHBondContact CB-OD1 3.28Å; T191-N398 WeakPolarHBondContact CG2-OD1 3.46Å; T191-N398 PolarHBondContact OG1-OD1 3.34Å; D393-N398 PolarHBondContact OD1-ND2 3.46Å; L394-N398 PolarHBondContact O-N 3.21Å; L394-N398 PolarHBondContact O-ND2 2.86Å; S395-N398 PolarHBondContact O-N 3.44Å; N398-G402 WeakPolarHBondContact O-CA 3.28Å; N398-G402 PolarHBondContact O-N 2.67Å
399	A	98.9	Very high	98.7	Very high	0 Å²	0	1.8 Å²	1.8	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-63.5	-45.9	174	0	0	0	0	0	112.1	S395 P396 I397 G403 A898	S395-A399 WeakPolarHBondContact O-CB 3.43Å; S395-A399 PolarHBondContact O-N 2.94Å; P396-A399 PolarHBondContact O-N 3.05Å; I397-A399 VanDerWaalsContact C-N 3.33Å; I397-A399 PolarHBondContact O-N 3.15Å; A399-G403 PolarHBondContact O-N 2.99Å; A399-A898 CarbonylContact O-C 3.57Å
400	F	98.9	Very high	98.7	Very high	0 Å²	0	1.8 Å²	1.8	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-62.1	-62.3	177.5	177	-116.7	0	0	0	112	P396 I397 G402 G403 V404 F426 A899 L903 M926 F933	P396-F400 PolarHBondContact O-N 3.44Å; I397-F400 PolarHBondContact O-N 2.94Å; F400-G402 VanDerWaalsContact C-N 3.3Å; F400-G402 PolarHBondContact O-N 3.35Å; F400-G403 PolarHBondContact O-N 3.17Å; F400-V404 HydrophobicContact CD2-CG2 4.42Å; F400-V404 HydrophobicContact CE2-CG2 4.07Å; F400-V404 HydrophobicContact CZ-CG2 4.32Å; F400-V404 WeakPolarHBondContact O-CG2 3.43Å; F400-V404 PolarHBondContact O-N 2.97Å; F400-V404 VanDerWaalsContact O-N 3.12Å; F400-F426 AromaticContact CD1-CD1 3.81Å; F400-F426 HydrophobicContact CD1-CD1 3.81Å; F400-F426 HydrophobicContact CD1-CD2 4.39Å; F400-F426 AromaticContact CD1-CE1 3.96Å; F400-F426 HydrophobicContact CD1-CE1 3.96Å; F400-F426 HydrophobicContact CD1-CG 4.03Å; F400-F426 HydrophobicContact CD1-CZ 4.31Å; F400-F426 HydrophobicContact CE1-CB 4.07Å; F400-F426 AromaticContact CE1-CD1 3.86Å; F400-F426 HydrophobicContact CE1-CD1 3.86Å; F400-F426 AromaticContact CE1-CD2 3.67Å; F400-F426 HydrophobicContact CE1-CD2 3.67Å; F400-F426 HydrophobicContact CE1-CE1 4.2Å; F400-F426 HydrophobicContact CE1-CE2 4.03Å; F400-F426 AromaticContact CE1-CG 3.58Å; F400-F426 HydrophobicContact CE1-CG 3.58Å; F400-F426 HydrophobicContact CE1-CZ 4.27Å; F400-F426 HydrophobicContact CZ-CD2 4.33Å; F400-A899 HydrophobicContact CD2-CB 4.25Å; F400-L903 HydrophobicContact CD1-CD2 4.36Å; F400-L903 HydrophobicContact CD2-CD1 4.08Å; F400-L903 HydrophobicContact CD2-CD2 3.69Å; F400-L903 HydrophobicContact CD2-CG 3.7Å; F400-L903 HydrophobicContact CE2-CD1 3.95Å; F400-L903 HydrophobicContact CE2-CD2 3.93Å; F400-L903 HydrophobicContact CE2-CG 4.05Å; F400-L903 HydrophobicContact CG-CD2 3.92Å; F400-L903 HydrophobicContact CG-CG 4.32Å; F400-L903 HydrophobicContact CZ-CD2 4.37Å; F400-M926 HydrophobicContact CE2-SD 4.44Å; F400-F933 HydrophobicContact CE2-CD1 4.13Å; F400-F933 AromaticContact CE2-CE1 3.87Å; F400-F933 HydrophobicContact CE2-CE1 3.87Å; F400-F933 AromaticContact CZ-CD1 4Å; F400-F933 HydrophobicContact CZ-CD1 4Å; F400-F933 AromaticContact CZ-CE1 3.88Å; F400-F933 HydrophobicContact CZ-CE1 3.88Å
401	I	98.9	Very high	98.7	Very high	1 Å²	1	1.8 Å²	1.8	1%	0.005	1%	0.012	C	C	.	.	H	α-helix	trans	-65.6	-35.8	-177.4	-57.8	-62.4	0	0	0	110.9	L83 A189 T191 I397 V404 A405 L424 F426	L83-I401 HydrophobicContact CD1-CB 3.96Å; L83-I401 HydrophobicContact CD1-CG2 3.91Å; A189-I401 HydrophobicContact CB-CG2 4.1Å; T191-I401 HydrophobicContact CG2-CB 4.1Å; T191-I401 HydrophobicContact CG2-CG1 4.05Å; T191-I401 HydrophobicContact CG2-CG2 4.4Å; I397-I401 HydrophobicContact CG2-CG1 4.28Å; I397-I401 WeakPolarHBondContact O-CG1 3.38Å; I397-I401 PolarHBondContact O-N 3.4Å; I401-V404 PolarHBondContact O-N 3.44Å; I401-A405 WeakPolarHBondContact O-CB 3.32Å; I401-A405 PolarHBondContact O-N 3.13Å; I401-L424 HydrophobicContact CD1-CD2 4.44Å; I401-F426 HydrophobicContact CD1-CB 4.21Å
402	G	98.9	Very high	98.8	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-66.6	-39	178	0	0	0	0	0	113.2	N398 F400 A406	N398-G402 WeakPolarHBondContact O-CA 3.28Å; N398-G402 PolarHBondContact O-N 2.67Å; F400-G402 VanDerWaalsContact C-N 3.3Å; F400-G402 PolarHBondContact O-N 3.35Å; G402-A406 WeakPolarHBondContact O-CB 3.33Å; G402-A406 PolarHBondContact O-N 3.44Å
403	G	98.8	Very high	98.8	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-63.6	-44.2	172.3	0	0	0	0	0	112.5	A399 F400 Q407 T895	A399-G403 PolarHBondContact O-N 2.99Å; F400-G403 PolarHBondContact O-N 3.17Å; G403-Q407 PolarHBondContact O-N 3.45Å; G403-Q407 VanDerWaalsContact O-N 3.09Å; G403-T895 WeakPolarHBondContact O-CB 3.27Å
404	V	98.9	Very high	98.7	Very high	0 Å²	0	1.7 Å²	1.7	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-66.4	-50.2	177.4	-178.9	0	0	0	0	111.1	L198 F400 I401 A406 Q407 E408 L424 A899 L928 F933	L198-V404 HydrophobicContact CD2-CB 4.4Å; L198-V404 HydrophobicContact CD2-CG1 3.57Å; F400-V404 HydrophobicContact CD2-CG2 4.42Å; F400-V404 HydrophobicContact CE2-CG2 4.07Å; F400-V404 HydrophobicContact CZ-CG2 4.32Å; F400-V404 WeakPolarHBondContact O-CG2 3.43Å; F400-V404 PolarHBondContact O-N 2.97Å; F400-V404 VanDerWaalsContact O-N 3.12Å; I401-V404 PolarHBondContact O-N 3.44Å; V404-A406 VanDerWaalsContact C-N 3.35Å; V404-A406 PolarHBondContact O-N 2.94Å; V404-Q407 WeakPolarHBondContact O-CA 3.49Å; V404-Q407 WeakPolarHBondContact O-CB 3.43Å; V404-Q407 PolarHBondContact O-N 3.48Å; V404-E408 WeakPolarHBondContact O-CG 3.37Å; V404-E408 PolarHBondContact O-N 3.12Å; V404-L424 HydrophobicContact CG1-CD1 4.4Å; V404-A899 HydrophobicContact CG2-CB 4.42Å; V404-L928 HydrophobicContact CG2-CD2 4.06Å; V404-F933 HydrophobicContact CG1-CZ 3.99Å; V404-F933 HydrophobicContact CG2-CE1 3.94Å; V404-F933 HydrophobicContact CG2-CZ 3.77Å
405	A	98.9	Very high	98.6	Very high	0 Å²	0	1.9 Å²	1.9	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-61.8	-40.5	179.9	0	0	0	0	0	112.3	I87 V187 A189 L198 I401 Q407 E408 V409	I87-A405 HydrophobicContact CD1-CB 3.67Å; I87-A405 HydrophobicContact CG1-CB 3.95Å; V187-A405 HydrophobicContact CG1-CB 4.3Å; A189-A405 HydrophobicContact CB-CB 4.24Å; L198-A405 HydrophobicContact CD1-CB 3.73Å; I401-A405 WeakPolarHBondContact O-CB 3.32Å; I401-A405 PolarHBondContact O-N 3.13Å; A405-Q407 VanDerWaalsContact C-N 3.3Å; A405-Q407 PolarHBondContact O-N 2.68Å; A405-E408 PolarHBondContact O-N 3.07Å; A405-E408 VanDerWaalsContact O-N 3.17Å; A405-V409 WeakPolarHBondContact O-CG2 3.34Å; A405-V409 PolarHBondContact O-N 3.25Å
406	A	98.9	Very high	98.6	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-63.8	-35.7	173.5	0	0	0	0	0	112.3	I87 N90 V91 G402 V404 V409 M410 T895	I87-A406 HydrophobicContact CG2-CB 4.28Å; N90-A406 HydrophobicContact CB-CB 3.41Å; N90-A406 VanDerWaalsContact CB-CB 3.41Å; V91-A406 HydrophobicContact CG2-CB 4.01Å; G402-A406 WeakPolarHBondContact O-CB 3.33Å; G402-A406 PolarHBondContact O-N 3.44Å; V404-A406 VanDerWaalsContact C-N 3.35Å; V404-A406 PolarHBondContact O-N 2.94Å; A406-V409 WeakPolarHBondContact O-CB 3.5Å; A406-V409 PolarHBondContact O-N 3.46Å; A406-M410 WeakPolarHBondContact O-CG 3.39Å; A406-M410 PolarHBondContact O-N 3.11Å; A406-M410 VanDerWaalsContact O-N 3.15Å; A406-T895 HydrophobicContact CB-CG2 3.91Å
407	Q	98.9	Very high	98.5	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-63.9	-42.2	172	-171.1	64.2	54.2	0	0	111.1	G403 V404 A405 V409 M410 K411 T895 L928	G403-Q407 PolarHBondContact O-N 3.45Å; G403-Q407 VanDerWaalsContact O-N 3.09Å; V404-Q407 WeakPolarHBondContact O-CA 3.49Å; V404-Q407 WeakPolarHBondContact O-CB 3.43Å; V404-Q407 PolarHBondContact O-N 3.48Å; A405-Q407 VanDerWaalsContact C-N 3.3Å; A405-Q407 PolarHBondContact O-N 2.68Å; Q407-V409 VanDerWaalsContact C-N 3.3Å; Q407-V409 PolarHBondContact O-N 2.99Å; Q407-M410 WeakPolarHBondContact O-CA 3.45Å; Q407-M410 WeakPolarHBondContact O-CB 3.03Å; Q407-M410 PolarHBondContact O-N 2.91Å; Q407-K411 WeakPolarHBondContact O-CG 3.37Å; Q407-K411 PolarHBondContact O-N 3.3Å; Q407-T895 HydrophobicContact CB-CG2 4.14Å; Q407-T895 PolarHBondContact OE1-OG1 3.13Å; Q407-L928 HydrophobicContact CB-CD1 4.04Å; Q407-L928 HydrophobicContact CG-CB 3.89Å; Q407-L928 HydrophobicContact CG-CD1 4.12Å
408	E	98.9	Very high	98.5	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-61.8	-36.3	175.9	-61.3	-48.9	122.7	0	0	112.3	V187 L198 F202 V404 A405 M410 K411 A412 P419 V420	V187-E408 HydrophobicContact CG2-CB 4.34Å; L198-E408 HydrophobicContact CD2-CG 3.96Å; F202-E408 HydrophobicContact CZ-CB 4.24Å; F202-E408 WeakPolarHBondContact CZ-O 3.46Å; V404-E408 WeakPolarHBondContact O-CG 3.37Å; V404-E408 PolarHBondContact O-N 3.12Å; A405-E408 PolarHBondContact O-N 3.07Å; A405-E408 VanDerWaalsContact O-N 3.17Å; E408-M410 VanDerWaalsContact C-N 3.32Å; E408-M410 PolarHBondContact O-N 3.05Å; E408-K411 PolarHBondContact O-N 3.09Å; E408-K411 VanDerWaalsContact OE1-CE 3.27Å; E408-K411 WeakPolarHBondContact OE1-CE 3.33Å; E408-K411 IonicContact OE1-NZ 2.82Å; E408-K411 PolarHBondContact OE1-NZ 3.04Å; E408-K411 WeakPolarHBondContact OE2-CD 3.22Å; E408-K411 IonicContact OE2-NZ 3.7Å; E408-A412 WeakPolarHBondContact O-CB 3.46Å; E408-A412 PolarHBondContact O-N 3.12Å; E408-P419 WeakPolarHBondContact OE2-CA 3.46Å; E408-V420 HydrophobicContact CG-CG2 4.24Å; E408-V420 PolarHBondContact OE2-N 3.3Å
409	V	98.9	Very high	98.5	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-60.1	-41.4	171	172.6	0	0	0	0	111.5	V75 V91 V161 V163 V187 A405 A406 Q407 A412 S413	V75-V409 HydrophobicContact CG1-CG1 3.91Å; V75-V409 HydrophobicContact CG2-CG1 3.95Å; V91-V409 HydrophobicContact CG1-CG1 4.13Å; V91-V409 HydrophobicContact CG2-CB 3.96Å; V91-V409 HydrophobicContact CG2-CG1 3.77Å; V91-V409 HydrophobicContact CG2-CG2 4.3Å; V161-V409 HydrophobicContact CB-CG1 4.47Å; V161-V409 HydrophobicContact CG1-CB 4.47Å; V161-V409 HydrophobicContact CG1-CG1 4.13Å; V161-V409 HydrophobicContact CG1-CG2 4.2Å; V163-V409 HydrophobicContact CG2-CG2 3.44Å; V163-V409 VanDerWaalsContact CG2-CG2 3.44Å; V187-V409 HydrophobicContact CG2-CG2 4.18Å; A405-V409 WeakPolarHBondContact O-CG2 3.34Å; A405-V409 PolarHBondContact O-N 3.25Å; A406-V409 WeakPolarHBondContact O-CB 3.5Å; A406-V409 PolarHBondContact O-N 3.46Å; Q407-V409 VanDerWaalsContact C-N 3.3Å; Q407-V409 PolarHBondContact O-N 2.99Å; V409-A412 PolarHBondContact O-N 3.06Å; V409-S413 WeakPolarHBondContact O-CB 3.32Å; V409-S413 PolarHBondContact O-N 2.79Å; V409-S413 PolarHBondContact O-OG 3.12Å
410	M	98.5	Very high	98.5	Very high	1 Å²	1	5.5 Å²	5.5	1%	0.005	3%	0.031	C	C	.	.	H	α-helix	trans	-65.4	-41	175.5	-62.6	-179.1	-171.4	0	0	111.3	M70 N90 A406 Q407 E408 S413 T414 I893 T895	M70-M410 HydrophobicContact CE-CB 4.49Å; M70-M410 HydrophobicContact CE-CG 3.9Å; M70-M410 HydrophobicContact CE-SD 4.22Å; M70-M410 HydrophobicContact SD-CB 4.29Å; M70-M410 HydrophobicContact SD-CG 4.34Å; N90-M410 WeakPolarHBondContact O-CE 3.38Å; A406-M410 WeakPolarHBondContact O-CG 3.39Å; A406-M410 PolarHBondContact O-N 3.11Å; A406-M410 VanDerWaalsContact O-N 3.15Å; Q407-M410 WeakPolarHBondContact O-CA 3.45Å; Q407-M410 WeakPolarHBondContact O-CB 3.03Å; Q407-M410 PolarHBondContact O-N 2.91Å; E408-M410 VanDerWaalsContact C-N 3.32Å; E408-M410 PolarHBondContact O-N 3.05Å; M410-S413 PolarHBondContact O-N 2.81Å; M410-T414 WeakPolarHBondContact O-CB 3.43Å; M410-T414 VanDerWaalsContact O-CG2 3.25Å; M410-T414 WeakPolarHBondContact O-CG2 3.49Å; M410-T414 PolarHBondContact O-N 3.06Å; M410-T414 VanDerWaalsContact O-N 3.14Å; M410-T414 PolarHBondContact O-OG1 2.83Å; M410-I893 HydrophobicContact CE-CD1 4.22Å; M410-I893 HydrophobicContact SD-CD1 3.61Å; M410-T895 HydrophobicContact CE-CG2 3.56Å; M410-T895 HydrophobicContact SD-CG2 4.08Å
411	K	98.6	Very high	98.3	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-62.7	-45.9	176	-61	-179	-170.2	172.8	0	111.3	M206 Q407 E408 S413 T414 G415 K416 F417 M418 L928	M206-K411 VanDerWaalsContact CE-O 3.28Å; M206-K411 WeakPolarHBondContact CE-O 3.24Å; Q407-K411 WeakPolarHBondContact O-CG 3.37Å; Q407-K411 PolarHBondContact O-N 3.3Å; E408-K411 PolarHBondContact O-N 3.09Å; E408-K411 VanDerWaalsContact OE1-CE 3.27Å; E408-K411 WeakPolarHBondContact OE1-CE 3.33Å; E408-K411 IonicContact OE1-NZ 2.82Å; E408-K411 PolarHBondContact OE1-NZ 3.04Å; E408-K411 WeakPolarHBondContact OE2-CD 3.22Å; E408-K411 IonicContact OE2-NZ 3.7Å; K411-S413 PolarHBondContact O-N 2.87Å; K411-T414 PolarHBondContact O-N 3.49Å; K411-T414 VanDerWaalsContact O-N 3.14Å; K411-G415 PolarHBondContact O-N 3.38Å; K411-K416 WeakPolarHBondContact CG-O 3.45Å; K411-F417 HydrophobicContact CD-CB 4.12Å; K411-F417 HydrophobicContact CG-CB 4.14Å; K411-F417 HydrophobicContact CG-CD2 4.47Å; K411-M418 WeakPolarHBondContact CD-O 3.2Å; K411-M418 WeakPolarHBondContact CE-O 3.32Å; K411-M418 PolarHBondContact NZ-O 3.3Å; K411-L928 WeakPolarHBondContact CE-O 3.31Å; K411-L928 PolarHBondContact NZ-O 3.36Å
412	A	98.6	Very high	98.2	Very high	13 Å²	13	8.3 Å²	8.3	11%	0.107	5%	0.045	C	C	.	.	H	α-helix	trans	-56.8	-39.9	176	0	0	0	0	0	112.3	V161 K185 F202 E408 V409 T414	V161-A412 HydrophobicContact CG1-CB 4.24Å; V161-A412 HydrophobicContact CG2-CB 3.87Å; K185-A412 HydrophobicContact CB-CB 3.95Å; K185-A412 HydrophobicContact CG-CB 4.23Å; F202-A412 HydrophobicContact CD1-CB 3.95Å; F202-A412 HydrophobicContact CD2-CB 4.36Å; F202-A412 HydrophobicContact CE1-CB 3.62Å; F202-A412 HydrophobicContact CE2-CB 3.99Å; F202-A412 HydrophobicContact CG-CB 4.34Å; F202-A412 HydrophobicContact CZ-CB 3.63Å; E408-A412 WeakPolarHBondContact O-CB 3.46Å; E408-A412 PolarHBondContact O-N 3.12Å; V409-A412 PolarHBondContact O-N 3.06Å; A412-T414 VanDerWaalsContact C-N 3.33Å
413	S	97.8	Very high	98.2	Very high	12 Å²	12	8.5 Å²	8.5	8%	0.084	5%	0.046	C	C	.	.	H	α-helix	trans	-77	-16.4	-178.8	-55.8	0	0	0	0	113.8	V409 M410 K411	V409-S413 WeakPolarHBondContact O-CB 3.32Å; V409-S413 PolarHBondContact O-N 2.79Å; V409-S413 PolarHBondContact O-OG 3.12Å; M410-S413 PolarHBondContact O-N 2.81Å; K411-S413 PolarHBondContact O-N 2.87Å
414	T	97.8	Very high	98.2	Very high	3 Å²	3	8.5 Å²	8.5	2%	0.018	5%	0.046	C	C	.	.	H	α-helix	trans	-129	-23.3	-167.3	59.1	0	0	0	0	115.8	A66 R69 M70 M410 K411 A412 K416	A66-T414 HydrophobicContact CB-CG2 4.02Å; A66-T414 WeakPolarHBondContact O-CG2 3.46Å; R69-T414 PolarHBondContact NE-O 2.88Å; R69-T414 PolarHBondContact NH2-O 2.91Å; M70-T414 HydrophobicContact CB-CG2 4.41Å; M70-T414 HydrophobicContact CG-CG2 3.29Å; M70-T414 HydrophobicContact SD-CG2 3.58Å; M70-T414 VanDerWaalsContact SD-CG2 3.58Å; M410-T414 WeakPolarHBondContact O-CB 3.43Å; M410-T414 VanDerWaalsContact O-CG2 3.25Å; M410-T414 WeakPolarHBondContact O-CG2 3.49Å; M410-T414 PolarHBondContact O-N 3.06Å; M410-T414 VanDerWaalsContact O-N 3.14Å; M410-T414 PolarHBondContact O-OG1 2.83Å; K411-T414 PolarHBondContact O-N 3.49Å; K411-T414 VanDerWaalsContact O-N 3.14Å; A412-T414 VanDerWaalsContact C-N 3.33Å; T414-K416 PolarHBondContact O-N 3.41Å; T414-K416 WeakPolarHBondContact OG1-CB 3.26Å; T414-K416 PolarHBondContact OG1-N 3.34Å
415	G	97.3	Very high	98.2	Very high	5 Å²	5	8.7 Å²	8.7	5%	0.052	5%	0.046	C	C	.	.			trans	59.8	19.1	-164.4	0	0	0	0	0	113.6	I207 V208 Y209 K411	I207-G415 WeakPolarHBondContact O-CA 3.46Å; V208-G415 CarbonylContact C-O 3.49Å; V208-G415 WeakPolarHBondContact CA-O 3.32Å; Y209-G415 PolarHBondContact N-O 3Å; K411-G415 PolarHBondContact O-N 3.38Å
416	K	97	Very high	98.2	Very high	37 Å²	37	9.2 Å²	9.2	16%	0.161	5%	0.048	C	C	.	.	B	Isolated β-bridge	trans	-93.3	132	172.1	-176.5	77.9	179.9	178	0	107.8	L62 A66 D210 K411 T414	L62-K416 WeakPolarHBondContact O-CE 3.44Å; A66-K416 HydrophobicContact CB-CB 4.08Å; A66-K416 HydrophobicContact CB-CG 4.35Å; D210-K416 HydrophobicContact CB-CD 4.05Å; D210-K416 WeakPolarHBondContact OD2-CE 3.44Å; D210-K416 IonicContact OD2-NZ 2.8Å; D210-K416 PolarHBondContact OD2-NZ 3.45Å; K411-K416 WeakPolarHBondContact CG-O 3.45Å; T414-K416 PolarHBondContact O-N 3.41Å; T414-K416 WeakPolarHBondContact OG1-CB 3.26Å; T414-K416 PolarHBondContact OG1-N 3.34Å
417	F	98.3	Very high	98.2	Very high	3 Å²	3	9.5 Å²	9.5	1%	0.013	5%	0.05	C	C	.	.	S	Bend	trans	72.9	157.3	-174.9	-45.9	-46.3	0	0	0	115.2	V61 L62 V208 D210 G213 K411 P419 T603 A929	V61-F417 HydrophobicContact CG1-CE2 4.44Å; V61-F417 HydrophobicContact CG1-CZ 4.02Å; V61-F417 WeakPolarHBondContact O-CZ 3.3Å; L62-F417 HydrophobicContact CD2-CE2 3.62Å; L62-F417 HydrophobicContact CD2-CZ 4.1Å; V208-F417 WeakPolarHBondContact CG1-O 3.42Å; D210-F417 CarbonylContact O-C 3.56Å; D210-F417 WeakPolarHBondContact O-CA 3.37Å; D210-F417 PolarHBondContact O-N 3.49Å; G213-F417 VanDerWaalsContact CA-CE1 3.43Å; K411-F417 HydrophobicContact CD-CB 4.12Å; K411-F417 HydrophobicContact CG-CB 4.14Å; K411-F417 HydrophobicContact CG-CD2 4.47Å; F417-P419 WeakPolarHBondContact O-CD 3.44Å; F417-T603 HydrophobicContact CD2-CG2 4.24Å; F417-T603 HydrophobicContact CE1-CG2 4.38Å; F417-T603 HydrophobicContact CE2-CG2 3.63Å; F417-T603 HydrophobicContact CZ-CG2 3.71Å; F417-A929 HydrophobicContact CB-CB 4.16Å; F417-A929 WeakPolarHBondContact CB-O 3.48Å; F417-A929 HydrophobicContact CD1-CB 3.44Å; F417-A929 VanDerWaalsContact CD1-CB 3.44Å; F417-A929 HydrophobicContact CD2-CB 4.49Å; F417-A929 HydrophobicContact CE1-CB 3.92Å; F417-A929 HydrophobicContact CG-CB 3.78Å
418	M	98.3	Very high	98.2	Very high	37 Å²	37	9.7 Å²	9.7	18%	0.182	5%	0.052	C	C	.	.	P	Polyproline II helix	trans	-73.2	129	173.7	-172	64.9	-173.7	0	0	109.9	T211 K411 M421 A929 P931	T211-M418 WeakPolarHBondContact O-CB 3.49Å; T211-M418 PolarHBondContact O-N 2.96Å; K411-M418 WeakPolarHBondContact CD-O 3.2Å; K411-M418 WeakPolarHBondContact CE-O 3.32Å; K411-M418 PolarHBondContact NZ-O 3.3Å; M418-M421 HydrophobicContact CE-CG 4.06Å; M418-M421 HydrophobicContact CE-SD 3.28Å; M418-M421 WeakPolarHBondContact CE-SD 3.31Å; M418-A929 PolarHBondContact N-O 2.93Å; M418-P931 WeakPolarHBondContact O-CD 3.43Å
419	P	98.4	Very high	98.1	Very high	3 Å²	3	10.4 Å²	10.4	2%	0.019	6%	0.055	C	C	.	.	P	Polyproline II helix	trans	-71.2	164.3	173.2	-25.4	38	0	0	0	114.6	F202 M206 I301 F303 E408 F417 M421	F202-P419 HydrophobicContact CD2-CB 3.9Å; F202-P419 HydrophobicContact CD2-CG 3.82Å; F202-P419 HydrophobicContact CE2-CB 3.67Å; F202-P419 HydrophobicContact CE2-CG 3.88Å; M206-P419 HydrophobicContact CE-CG 3.94Å; M206-P419 HydrophobicContact SD-CG 3.92Å; I301-P419 HydrophobicContact CD1-CG 3.91Å; F303-P419 HydrophobicContact CE1-CB 4.46Å; F303-P419 HydrophobicContact CZ-CB 3.82Å; F303-P419 HydrophobicContact CZ-CG 4.1Å; E408-P419 WeakPolarHBondContact OE2-CA 3.46Å; F417-P419 WeakPolarHBondContact O-CD 3.44Å; P419-M421 PolarHBondContact O-N 2.92Å
420	V	98.3	Very high	98.1	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.064	C	C	.	.	P	Polyproline II helix	trans	-64	126.2	160.2	172.3	0	0	0	0	109.4	L198 M316 E408 L424 P931	L198-V420 HydrophobicContact CD2-CG2 4.42Å; M316-V420 HydrophobicContact CB-CG1 4.1Å; M316-V420 HydrophobicContact CG-CG1 4.46Å; E408-V420 HydrophobicContact CG-CG2 4.24Å; E408-V420 PolarHBondContact OE2-N 3.3Å; V420-L424 HydrophobicContact CG1-CB 3.96Å; V420-L424 HydrophobicContact CG2-CD1 4.14Å; V420-P931 HydrophobicContact CB-CG 4.46Å; V420-P931 HydrophobicContact CG2-CB 4.01Å; V420-P931 HydrophobicContact CG2-CG 3.75Å
421	M	96.7	Very high	98	Very high	58 Å²	58	12.1 Å²	12.1	29%	0.286	6%	0.064	S	C	.	.			trans	-126.3	98	178.8	-64.6	-166.1	75.5	0	0	110.1	I301 S302 F303 M418 P419	I301-M421 HydrophobicContact CB-CE 4.34Å; I301-M421 HydrophobicContact CB-SD 4.4Å; I301-M421 HydrophobicContact CD1-SD 4.02Å; S302-M421 WeakPolarHBondContact O-CE 3.3Å; F303-M421 HydrophobicContact CE1-CE 4.27Å; F303-M421 HydrophobicContact CE1-CG 3.79Å; F303-M421 HydrophobicContact CE2-CE 4.31Å; F303-M421 HydrophobicContact CZ-CE 4.14Å; F303-M421 HydrophobicContact CZ-CG 3.83Å; F303-M421 HydrophobicContact CZ-SD 4.31Å; M418-M421 HydrophobicContact CE-CG 4.06Å; M418-M421 HydrophobicContact CE-SD 3.28Å; M418-M421 WeakPolarHBondContact CE-SD 3.31Å; P419-M421 PolarHBondContact O-N 2.92Å
422	Q	96.8	Very high	97.9	Very high	3 Å²	3	13.3 Å²	13.3	1%	0.014	7%	0.07	C	C	.	.	S	Bend	cis	-125.7	-29.7	-7.4	-63.1	176.6	4.3	0	0	112.4	F199 C200 F303 S309 D314	F199-Q422 WeakPolarHBondContact CA-O 3.45Å; F199-Q422 HydrophobicContact CD2-CB 4.13Å; F199-Q422 HydrophobicContact CE2-CB 3.84Å; C200-Q422 PolarHBondContact N-O 3.29Å; C200-Q422 VanDerWaalsContact N-O 3.13Å; F303-Q422 HydrophobicContact CD1-CG 3.84Å; F303-Q422 HydrophobicContact CE1-CG 4.3Å; S309-Q422 VanDerWaalsContact CB-OE1 3.22Å; S309-Q422 PolarHBondContact OG-OE1 2.9Å; D314-Q422 PolarHBondContact O-N 2.84Å
423	W	98.8	Very high	97.4	Very high	4 Å²	4	14.7 Å²	14.7	2%	0.015	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	131	178.3	-68.8	91.8	0	0	0	111.2	L198 F199 S309 M310 D314 F315 M316 Y425	L198-W423 WeakPolarHBondContact O-CA 3.43Å; F199-W423 HydrophobicContact CB-CD2 4.13Å; F199-W423 HydrophobicContact CB-CE3 3.78Å; F199-W423 HydrophobicContact CB-CH2 3.92Å; F199-W423 HydrophobicContact CB-CZ2 4.24Å; F199-W423 HydrophobicContact CB-CZ3 3.69Å; F199-W423 AromaticContact CD2-CD1 3.97Å; F199-W423 AromaticContact CD2-CD2 3.63Å; F199-W423 HydrophobicContact CD2-CD2 3.63Å; F199-W423 AromaticContact CD2-CE2 3.28Å; F199-W423 HydrophobicContact CD2-CE3 4.17Å; F199-W423 HydrophobicContact CD2-CG 4.05Å; F199-W423 HydrophobicContact CD2-CH2 4.09Å; F199-W423 AromaticContact CD2-CZ2 3.53Å; F199-W423 HydrophobicContact CD2-CZ2 3.53Å; F199-W423 HydrophobicContact CD2-CZ3 4.39Å; F199-W423 AromaticContact CD2-NE1 3.52Å; F199-W423 AromaticContact CE2-CE2 3.79Å; F199-W423 AromaticContact CE2-CZ2 3.99Å; F199-W423 HydrophobicContact CE2-CZ2 3.99Å; F199-W423 AromaticContact CE2-NE1 3.66Å; F199-W423 HydrophobicContact CG-CD2 4.24Å; F199-W423 HydrophobicContact CG-CE3 4.33Å; F199-W423 AromaticContact CG-CH2 3.97Å; F199-W423 HydrophobicContact CG-CH2 3.97Å; F199-W423 AromaticContact CG-CZ2 3.86Å; F199-W423 HydrophobicContact CG-CZ2 3.86Å; F199-W423 HydrophobicContact CG-CZ3 4.22Å; S309-W423 PolarHBondContact O-NE1 2.86Å; S309-W423 PolarHBondContact OG-NE1 2.77Å; M310-W423 HydrophobicContact CG-CH2 4.1Å; M310-W423 HydrophobicContact CG-CZ2 3.58Å; D314-W423 PolarHBondContact O-N 2.88Å; F315-W423 CarbonylContact C-O 3.36Å; F315-W423 WeakPolarHBondContact CA-O 3.42Å; F315-W423 HydrophobicContact CD1-CB 3.88Å; F315-W423 HydrophobicContact CE1-CB 4.26Å; M316-W423 PolarHBondContact N-O 3.48Å; W423-Y425 HydrophobicContact CB-CD2 4.35Å; W423-Y425 HydrophobicContact CB-CE2 3.83Å; W423-Y425 HydrophobicContact CD2-CE2 4.34Å; W423-Y425 AromaticContact CE3-CE2 4Å; W423-Y425 HydrophobicContact CE3-CE2 4Å; W423-Y425 AromaticContact CE3-CZ 3.75Å; W423-Y425 HydrophobicContact CG-CE2 4.31Å; W423-Y425 WeakPolarHBondContact CZ3-OH 3.24Å
424	L	98.7	Very high	96.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.1	171.8	178.3	161.2	0	0	0	107.9	Q197 L198 M316 T318 I401 V404 V420 F426 F933	Q197-L424 CarbonylContact C-O 3.51Å; Q197-L424 VanDerWaalsContact CA-O 3.31Å; Q197-L424 WeakPolarHBondContact CA-O 3.24Å; L198-L424 HydrophobicContact CB-CB 4.22Å; L198-L424 HydrophobicContact CB-CD2 4.42Å; L198-L424 PolarHBondContact N-O 3.46Å; L198-L424 PolarHBondContact O-N 3.45Å; M316-L424 HydrophobicContact CB-CB 4.37Å; M316-L424 HydrophobicContact SD-CD1 3.74Å; M316-L424 HydrophobicContact SD-CG 4.11Å; T318-L424 HydrophobicContact CG2-CD1 4.03Å; T318-L424 HydrophobicContact CG2-CD2 3.53Å; T318-L424 HydrophobicContact CG2-CG 3.47Å; T318-L424 VanDerWaalsContact CG2-CG 3.47Å; I401-L424 HydrophobicContact CD1-CD2 4.44Å; V404-L424 HydrophobicContact CG1-CD1 4.4Å; V420-L424 HydrophobicContact CG1-CB 3.96Å; V420-L424 HydrophobicContact CG2-CD1 4.14Å; L424-F426 HydrophobicContact CD2-CB 4.49Å; L424-F933 HydrophobicContact CD1-CD2 4.19Å; L424-F933 HydrophobicContact CD1-CE2 3.51Å; L424-F933 HydrophobicContact CD1-CZ 4.2Å
425	Y	98.8	Very high	95.3	Very high	4 Å²	4	18.6 Å²	18.6	2%	0.016	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	139.7	174.1	-71.3	-81.4	0	0	0	109.9	Q197 F315 T318 P326 L329 H330 F333 W423	Q197-Y425 HydrophobicContact CB-CD1 3.71Å; Q197-Y425 HydrophobicContact CB-CE1 3.51Å; F315-Y425 HydrophobicContact CD1-CD2 4.01Å; F315-Y425 HydrophobicContact CD1-CE2 4.02Å; F315-Y425 HydrophobicContact CE1-CD2 4.07Å; F315-Y425 AromaticContact CE1-CE2 3.72Å; F315-Y425 HydrophobicContact CE1-CE2 3.72Å; T318-Y425 WeakPolarHBondContact CG2-O 3.2Å; T318-Y425 PolarHBondContact OG1-O 3.44Å; P326-Y425 HydrophobicContact CB-CD2 4.28Å; L329-Y425 HydrophobicContact CB-CD1 3.6Å; L329-Y425 HydrophobicContact CB-CE1 4.25Å; L329-Y425 HydrophobicContact CB-CG 3.9Å; L329-Y425 HydrophobicContact CD1-CG 4.49Å; H330-Y425 VanDerWaalsContact CA-CZ 3.49Å; H330-Y425 WeakPolarHBondContact CA-OH 3.36Å; H330-Y425 HydrophobicContact CB-CE2 3.82Å; H330-Y425 AromaticContact ND1-CE2 3.93Å; H330-Y425 AromaticContact ND1-CZ 3.73Å; H330-Y425 PolarHBondContact ND1-OH 2.94Å; F333-Y425 AromaticContact CD2-CD1 3.96Å; F333-Y425 HydrophobicContact CD2-CD1 3.96Å; F333-Y425 AromaticContact CD2-CE1 3.66Å; F333-Y425 HydrophobicContact CD2-CE1 3.66Å; F333-Y425 HydrophobicContact CE2-CD1 4.01Å; F333-Y425 HydrophobicContact CE2-CE1 4.13Å; F333-Y425 HydrophobicContact CG-CE1 4.32Å; W423-Y425 HydrophobicContact CB-CD2 4.35Å; W423-Y425 HydrophobicContact CB-CE2 3.83Å; W423-Y425 HydrophobicContact CD2-CE2 4.34Å; W423-Y425 AromaticContact CE3-CE2 4Å; W423-Y425 HydrophobicContact CE3-CE2 4Å; W423-Y425 AromaticContact CE3-CZ 3.75Å; W423-Y425 HydrophobicContact CG-CE2 4.31Å; W423-Y425 WeakPolarHBondContact CZ3-OH 3.24Å
426	F	98.8	Very high	93.3	Very high	10 Å²	10	27.4 Å²	27.4	4%	0.044	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	142.6	179.8	177.5	-101.5	0	0	0	110.2	F195 G196 T318 I397 F400 I401 L424 A428 L903 L906 F935	F195-F426 CarbonylContact C-O 3.48Å; F195-F426 WeakPolarHBondContact CA-O 3.41Å; G196-F426 PolarHBondContact N-O 3.22Å; G196-F426 PolarHBondContact O-N 3.46Å; T318-F426 HydrophobicContact CG2-CB 4.42Å; I397-F426 HydrophobicContact CD1-CD1 4.12Å; I397-F426 HydrophobicContact CD1-CE1 3.65Å; F400-F426 AromaticContact CD1-CD1 3.81Å; F400-F426 HydrophobicContact CD1-CD1 3.81Å; F400-F426 HydrophobicContact CD1-CD2 4.39Å; F400-F426 AromaticContact CD1-CE1 3.96Å; F400-F426 HydrophobicContact CD1-CE1 3.96Å; F400-F426 HydrophobicContact CD1-CG 4.03Å; F400-F426 HydrophobicContact CD1-CZ 4.31Å; F400-F426 HydrophobicContact CE1-CB 4.07Å; F400-F426 AromaticContact CE1-CD1 3.86Å; F400-F426 HydrophobicContact CE1-CD1 3.86Å; F400-F426 AromaticContact CE1-CD2 3.67Å; F400-F426 HydrophobicContact CE1-CD2 3.67Å; F400-F426 HydrophobicContact CE1-CE1 4.2Å; F400-F426 HydrophobicContact CE1-CE2 4.03Å; F400-F426 AromaticContact CE1-CG 3.58Å; F400-F426 HydrophobicContact CE1-CG 3.58Å; F400-F426 HydrophobicContact CE1-CZ 4.27Å; F400-F426 HydrophobicContact CZ-CD2 4.33Å; I401-F426 HydrophobicContact CD1-CB 4.21Å; L424-F426 HydrophobicContact CD2-CB 4.49Å; F426-A428 HydrophobicContact CE1-CB 3.91Å; F426-A428 HydrophobicContact CZ-CB 4.03Å; F426-L903 HydrophobicContact CE2-CD2 4.28Å; F426-L903 HydrophobicContact CZ-CD2 3.87Å; F426-L906 HydrophobicContact CE1-CD1 3.95Å; F426-L906 HydrophobicContact CZ-CD1 3.96Å; F426-F935 HydrophobicContact CE2-CE2 4.04Å; F426-F935 AromaticContact CE2-CZ 3.84Å; F426-F935 HydrophobicContact CE2-CZ 3.84Å
427	D	98.7	Very high	91	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.032	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	147.8	166.3	82.6	78.2	0	0	0	111.1	L194 F195 K322 R325 L429	L194-D427 VanDerWaalsContact O-CA 3.29Å; L194-D427 WeakPolarHBondContact O-CA 3.35Å; F195-D427 HydrophobicContact CD1-CB 3.47Å; F195-D427 VanDerWaalsContact CD1-CB 3.47Å; F195-D427 HydrophobicContact CE1-CB 3.68Å; F195-D427 HydrophobicContact CG-CB 4.46Å; K322-D427 PolarHBondContact NZ-O 3.31Å; K322-D427 IonicContact NZ-OD1 3.43Å; K322-D427 PolarHBondContact NZ-OD1 3.31Å; K322-D427 IonicContact NZ-OD2 2.63Å; R325-D427 WeakPolarHBondContact CD-OD2 3.29Å; R325-D427 IonicContact CZ-OD2 3.41Å; R325-D427 IonicContact NE-OD2 2.87Å; R325-D427 IonicContact NH1-OD1 3.97Å; R325-D427 PolarHBondContact NH1-OD1 3.27Å; R325-D427 IonicContact NH1-OD2 3.63Å; R325-D427 PolarHBondContact NH1-OD2 3.34Å; D427-L429 HydrophobicContact CB-CG 4.35Å; D427-L429 WeakPolarHBondContact OD1-CG 3.48Å; D427-L429 PolarHBondContact OD1-N 2.83Å
428	A	98.4	Very high	89.3	Confident	5 Å²	5	39.1 Å²	39.1	4%	0.041	21%	0.208	C	C	.	.			trans	-122.3	45	174.3	0	0	0	0	0	111.2	L194 I397 F426 E430 C431 L906	L194-A428 HydrophobicContact CD2-CB 4.23Å; L194-A428 PolarHBondContact O-N 2.91Å; I397-A428 HydrophobicContact CD1-CB 4.22Å; F426-A428 HydrophobicContact CE1-CB 3.91Å; F426-A428 HydrophobicContact CZ-CB 4.03Å; A428-E430 PolarHBondContact O-N 3.39Å; A428-C431 WeakPolarHBondContact O-CB 3.41Å; A428-C431 PolarHBondContact O-N 2.9Å; A428-C431 PolarHBondContact O-SG 3.39Å; A428-L906 HydrophobicContact CB-CD1 3.75Å; A428-L906 HydrophobicContact CB-CD2 4.06Å; A428-L906 HydrophobicContact CB-CG 4.38Å
429	L	97.8	Very high	88	Confident	14 Å²	14	43.2 Å²	43.2	7%	0.073	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-58.6	-20.1	-176.9	-74.9	180	0	0	0	114.1	L194 F195 L382 K385 L389 D427 C431 L432	L194-L429 HydrophobicContact CB-CD2 4.45Å; L194-L429 HydrophobicContact CD1-CD2 4.46Å; F195-L429 HydrophobicContact CE1-CD1 3.97Å; F195-L429 HydrophobicContact CE1-CD2 4.19Å; F195-L429 HydrophobicContact CE1-CG 4.06Å; F195-L429 HydrophobicContact CE2-CD2 3.97Å; F195-L429 HydrophobicContact CZ-CD1 3.83Å; F195-L429 HydrophobicContact CZ-CD2 3.55Å; F195-L429 HydrophobicContact CZ-CG 3.89Å; L382-L429 HydrophobicContact CD1-CD1 3.57Å; K385-L429 HydrophobicContact CD-CD1 4.04Å; K385-L429 HydrophobicContact CD-CD2 4.26Å; L389-L429 HydrophobicContact CD1-CD2 3.91Å; D427-L429 HydrophobicContact CB-CG 4.35Å; D427-L429 WeakPolarHBondContact OD1-CG 3.48Å; D427-L429 PolarHBondContact OD1-N 2.83Å; L429-C431 PolarHBondContact O-N 3.28Å; L429-C431 VanDerWaalsContact O-N 3.15Å; L429-L432 HydrophobicContact CD2-CD1 4.11Å; L429-L432 WeakPolarHBondContact O-CB 3.41Å; L429-L432 PolarHBondContact O-N 2.85Å; L429-L432 VanDerWaalsContact O-N 3.11Å
430	E	97.2	Very high	87.5	Confident	38 Å²	38	44.3 Å²	44.3	18%	0.178	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-65.4	-9	173.2	-57.6	72.9	-157.9	0	0	112.9	K322 A428 L432 K910 H915 S920	K322-E430 WeakPolarHBondContact CE-OE1 3.38Å; K322-E430 IonicContact NZ-OE1 2.69Å; K322-E430 PolarHBondContact NZ-OE1 3.16Å; K322-E430 IonicContact NZ-OE2 3.99Å; K322-E430 PolarHBondContact NZ-OE2 3.29Å; A428-E430 PolarHBondContact O-N 3.39Å; E430-L432 VanDerWaalsContact C-N 3.3Å; E430-K910 WeakPolarHBondContact O-CE 3.48Å; E430-H915 PolarHBondContact O-CE1 2.73Å; E430-H915 VanDerWaalsContact O-CE1 3.3Å; E430-S920 WeakPolarHBondContact CB-O 3.45Å
431	C	97.8	Very high	87.1	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-77.3	-14	171.7	-58.8	0	0	0	0	113.2	L194 A428 L429 F459 L906 F909 Q913	L194-C431 HydrophobicContact CD1-CB 4.08Å; L194-C431 HydrophobicContact CD2-CB 3.79Å; A428-C431 WeakPolarHBondContact O-CB 3.41Å; A428-C431 PolarHBondContact O-N 2.9Å; A428-C431 PolarHBondContact O-SG 3.39Å; L429-C431 PolarHBondContact O-N 3.28Å; L429-C431 VanDerWaalsContact O-N 3.15Å; C431-F459 HydrophobicContact CB-CE1 4.08Å; C431-F459 HydrophobicContact CB-CZ 4.12Å; C431-F459 WeakPolarHBondContact O-CE1 3.4Å; C431-L906 PolarHBondContact SG-O 3.11Å; C431-F909 HydrophobicContact CB-CB 4.49Å; C431-Q913 PolarHBondContact O-NE2 3.07Å
432	L	95.5	Very high	87	Confident	24 Å²	24	49.3 Å²	49.3	13%	0.126	26%	0.261	C	S	.	.	S	Bend	trans	-72.9	152.6	173.3	-60.6	176.4	0	0	0	110.1	L194 W350 L389 L429 E430 V458 F459 H915	L194-L432 HydrophobicContact CD1-CD2 3.71Å; L194-L432 HydrophobicContact CD1-CG 3.76Å; W350-L432 HydrophobicContact CZ2-CD2 4.22Å; L389-L432 HydrophobicContact CD1-CD1 4.46Å; L429-L432 HydrophobicContact CD2-CD1 4.11Å; L429-L432 WeakPolarHBondContact O-CB 3.41Å; L429-L432 PolarHBondContact O-N 2.85Å; L429-L432 VanDerWaalsContact O-N 3.11Å; E430-L432 VanDerWaalsContact C-N 3.3Å; L432-V458 HydrophobicContact CD2-CG1 4.31Å; L432-F459 HydrophobicContact CD2-CD1 4.41Å; L432-F459 HydrophobicContact CD2-CE1 4.32Å; L432-H915 PolarHBondContact O-CE1 3.44Å; L432-H915 PolarHBondContact O-NE2 3Å
433	S	88.9	Confident	86.8	Confident	43 Å²	43	56.3 Å²	56.3	30%	0.301	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-53.6	141.2	-176.6	55.6	0	0	0	0	113.7	G435	S433-G435 PolarHBondContact O-N 3.46Å
434	E	85.3	Confident	86.6	Confident	55 Å²	55	57.3 Å²	57.3	26%	0.257	30%	0.299	S	S	.	.	S	Bend	trans	-64.8	127.8	173.8	-70.7	179.6	170.7	0	0	112.1	H915 K916 K917 S920	E434-H915 VanDerWaalsContact CD-CA 3.5Å; E434-H915 HydrophobicContact CG-CB 4.24Å; E434-H915 VanDerWaalsContact OE1-CA 3.32Å; E434-H915 WeakPolarHBondContact OE1-CA 3.27Å; E434-H915 WeakPolarHBondContact OE1-CB 3.43Å; E434-H915 IonicContact OE1-CG 3.9Å; E434-H915 IonicContact OE1-ND1 3.52Å; E434-K916 VanDerWaalsContact CD-N 3.31Å; E434-K916 PolarHBondContact OE1-N 3.23Å; E434-K916 PolarHBondContact OE2-N 2.92Å; E434-K917 WeakPolarHBondContact OE1-CB 3.47Å; E434-K917 PolarHBondContact OE1-N 3.41Å; E434-S920 PolarHBondContact OE1-OG 3.44Å
435	G	66.3	Low	86.6	Confident	41 Å²	41	57.4 Å²	57.4	42%	0.423	30%	0.299	S	S	.	.	S	Bend	trans	113.5	123.4	173.7	0	0	0	0	0	113.2	S433 E437 V438	S433-G435 PolarHBondContact O-N 3.46Å; G435-E437 PolarHBondContact O-N 2.93Å; G435-E437 VanDerWaalsContact O-N 3.13Å; G435-V438 PolarHBondContact O-N 3.43Å
436	E	54.5	Low	86.4	Confident	191 Å²	191	59 Å²	59	89%	0.893	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.1	-176.9	-65.6	-177.5	166.3	0	0	113.8
437	E	48.8	Very low	86.3	Confident	193 Å²	193	62.5 Å²	62.5	90%	0.902	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-15.3	-177.6	-63.7	-176.5	175.4	0	0	114.1	G435 M439	G435-E437 PolarHBondContact O-N 2.93Å; G435-E437 VanDerWaalsContact O-N 3.13Å; E437-M439 PolarHBondContact O-N 3.04Å
438	V	62.3	Low	86.2	Confident	93 Å²	93	67.9 Å²	67.9	56%	0.564	36%	0.355	S	S	*	.			trans	-92.5	73.1	178.4	-170.7	0	0	0	0	109.2	G435	G435-V438 PolarHBondContact O-N 3.43Å
439	M	70.8	Confident	86.1	Confident	122 Å²	122	73.3 Å²	73.3	60%	0.601	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-78.3	123.3	171.3	-76.2	-76.9	-161	0	0	109.9	W350 E437	W350-M439 HydrophobicContact CZ3-SD 4.08Å; E437-M439 PolarHBondContact O-N 3.04Å
440	L	89.1	Confident	86	Confident	26 Å²	26	74.2 Å²	74.2	14%	0.136	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-63.8	146.7	168	-75	168.1	0	0	0	110	W350 E444 V458	W350-L440 HydrophobicContact CD2-CB 3.66Å; W350-L440 HydrophobicContact CE3-CB 3.9Å; W350-L440 HydrophobicContact CG-CB 4.18Å; W350-L440 HydrophobicContact CH2-CB 4.08Å; W350-L440 HydrophobicContact CH2-CD1 4.19Å; W350-L440 HydrophobicContact CH2-CG 4.48Å; W350-L440 HydrophobicContact CZ2-CB 3.86Å; W350-L440 HydrophobicContact CZ2-CD1 3.52Å; W350-L440 HydrophobicContact CZ2-CG 4.18Å; W350-L440 HydrophobicContact CZ3-CB 4.1Å; L440-E444 HydrophobicContact CD2-CG 4.29Å; L440-V458 VanDerWaalsContact CD1-O 3.25Å; L440-V458 WeakPolarHBondContact CD1-O 3.38Å
441	T	89.9	Confident	86.1	Confident	70 Å²	70	72.8 Å²	72.8	43%	0.429	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-102.8	155.1	-177.6	68.7	0	0	0	0	111.5	E443 E444 C445	T441-E443 PolarHBondContact O-N 3.45Å; T441-E444 PolarHBondContact O-N 3.39Å; T441-E444 VanDerWaalsContact O-N 3.14Å; T441-E444 WeakPolarHBondContact OG1-CB 3.44Å; T441-E444 PolarHBondContact OG1-N 3.08Å; T441-C445 PolarHBondContact O-N 3.4Å; T441-C445 VanDerWaalsContact O-N 3.13Å
442	E	93.9	Very high	86.1	Confident	94 Å²	94	74 Å²	74	44%	0.439	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-37.6	173.1	-65	-172.9	-160.9	0	0	112	S351 S446	S351-E442 WeakPolarHBondContact CA-OE1 3.42Å; S351-E442 VanDerWaalsContact CB-OE1 3.24Å; S351-E442 WeakPolarHBondContact CB-OE1 3.44Å; S351-E442 PolarHBondContact OG-OE1 3.08Å; E442-S446 WeakPolarHBondContact O-CB 3.49Å; E442-S446 PolarHBondContact O-N 3.39Å
443	E	94	Very high	86.3	Confident	149 Å²	149	73.4 Å²	73.4	70%	0.696	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-43.4	178.7	-175.3	-178.4	-179.9	0	0	112.1	T441 C445 S446 R448	T441-E443 PolarHBondContact O-N 3.45Å; E443-C445 VanDerWaalsContact C-N 3.3Å; E443-C445 PolarHBondContact O-N 2.95Å; E443-S446 WeakPolarHBondContact O-CB 3.23Å; E443-S446 PolarHBondContact O-N 2.96Å; E443-S446 PolarHBondContact O-OG 2.9Å; E443-R448 PolarHBondContact O-NH2 2.97Å; E443-R448 VanDerWaalsContact O-NH2 3.14Å
444	E	94.4	Very high	86.7	Confident	26 Å²	26	71.4 Å²	71.4	12%	0.121	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-32.5	-178.8	-173.6	167	171.6	0	0	112.3	L440 T441 S461 K462	L440-E444 HydrophobicContact CD2-CG 4.29Å; T441-E444 PolarHBondContact O-N 3.39Å; T441-E444 VanDerWaalsContact O-N 3.14Å; T441-E444 WeakPolarHBondContact OG1-CB 3.44Å; T441-E444 PolarHBondContact OG1-N 3.08Å; E444-S461 PolarHBondContact O-N 3.34Å; E444-S461 VanDerWaalsContact O-N 3.1Å; E444-K462 VanDerWaalsContact OE1-CB 3.27Å; E444-K462 WeakPolarHBondContact OE1-CB 3.49Å; E444-K462 WeakPolarHBondContact OE1-CD 3.29Å; E444-K462 WeakPolarHBondContact OE1-CG 3.48Å; E444-K462 IonicContact OE1-NZ 2.63Å; E444-K462 WeakPolarHBondContact OE2-CE 3.4Å; E444-K462 IonicContact OE2-NZ 3.04Å; E444-K462 PolarHBondContact OE2-NZ 3.3Å
445	C	96.9	Very high	87.3	Confident	1 Å²	1	68.9 Å²	68.9	1%	0.007	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	4.9	179.3	-66.3	0	0	0	0	113.9	P349 W350 T441 E443 I456	P349-C445 HydrophobicContact CB-CB 3.84Å; W350-C445 HydrophobicContact CG-CB 4.42Å; W350-C445 PolarHBondContact NE1-SG 3.4Å; T441-C445 PolarHBondContact O-N 3.4Å; T441-C445 VanDerWaalsContact O-N 3.13Å; E443-C445 VanDerWaalsContact C-N 3.3Å; E443-C445 PolarHBondContact O-N 2.95Å; C445-I456 PolarHBondContact SG-O 3.1Å
446	S	96.1	Very high	88.9	Confident	37 Å²	37	67.1 Å²	67.1	26%	0.259	34%	0.34	S	S	.	.	S	Bend	trans	-67.6	143.1	177	64.6	0	0	0	0	111.7	E442 E443	E442-S446 WeakPolarHBondContact O-CB 3.49Å; E442-S446 PolarHBondContact O-N 3.39Å; E443-S446 WeakPolarHBondContact O-CB 3.23Å; E443-S446 PolarHBondContact O-N 2.96Å; E443-S446 PolarHBondContact O-OG 2.9Å
447	P	95.8	Very high	91	Very high	85 Å²	85	58.3 Å²	58.3	55%	0.552	30%	0.3	S	S	*	.			trans	-57	141.4	176.7	-24.6	33.9	0	0	0	112.5
448	R	96.6	Very high	93.3	Very high	119 Å²	119	49.1 Å²	49.1	45%	0.449	26%	0.257	S	S	.	.			trans	-110.3	5.3	179.7	-56.6	-60.2	-176.7	173	-2.7	112.7	E443 C450 D453 I456	E443-R448 PolarHBondContact O-NH2 2.97Å; E443-R448 VanDerWaalsContact O-NH2 3.14Å; R448-C450 VanDerWaalsContact C-N 3.32Å; R448-D453 PolarHBondContact N-OD1 3.25Å; R448-I456 HydrophobicContact CG-CD1 4.17Å
449	N	95.8	Very high	95	Very high	118 Å²	118	45.1 Å²	45.1	63%	0.631	23%	0.231	S	C	*	.	S	Bend	trans	56.7	47.7	-171.5	-59.2	-52.9	0	0	0	111.2	D453	N449-D453 WeakPolarHBondContact CA-OD2 3.46Å; N449-D453 PolarHBondContact N-OD1 3.2Å; N449-D453 PolarHBondContact N-OD2 3Å
450	C	97.3	Very high	96.3	Very high	33 Å²	33	39.3 Å²	39.3	22%	0.223	20%	0.203	C	C	.	.	S	Bend	trans	-132.3	164.5	177.6	79.4	0	0	0	0	110.5	W109 R448 Y452 D453	W109-C450 VanDerWaalsContact CE3-C 3.5Å; R448-C450 VanDerWaalsContact C-N 3.32Å; C450-Y452 PolarHBondContact O-N 2.88Å; C450-D453 PolarHBondContact N-OD1 2.79Å; C450-D453 PolarHBondContact N-OD2 3.31Å; C450-D453 VanDerWaalsContact N-OD2 3.1Å; C450-D453 WeakPolarHBondContact O-CB 3.41Å; C450-D453 PolarHBondContact O-N 3.48Å; C450-D453 VanDerWaalsContact O-N 3.09Å
451	R	98.1	Very high	96.6	Very high	9 Å²	9	39.9 Å²	39.9	3%	0.034	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-13.6	-178.9	66.2	177.9	-57.8	145.3	7.1	114.8	L112 S113 M539 N540	L112-R451 CarbonylContact C-O 3.58Å; L112-R451 VanDerWaalsContact C-O 3.32Å; L112-R451 HydrophobicContact CB-CB 3.68Å; L112-R451 HydrophobicContact CD2-CB 4.1Å; S113-R451 WeakPolarHBondContact CA-O 3.36Å; S113-R451 WeakPolarHBondContact CB-O 3.44Å; S113-R451 PolarHBondContact N-O 3.38Å; S113-R451 PolarHBondContact OG-O 3.27Å; R451-M539 PolarHBondContact NH1-O 3.04Å; R451-M539 PolarHBondContact NH2-O 3.5Å; R451-N540 VanDerWaalsContact CZ-CG 3.43Å; R451-N540 VanDerWaalsContact NH1-CA 3.31Å; R451-N540 VanDerWaalsContact NH1-CG 3.32Å; R451-N540 PolarHBondContact NH1-OD1 3.14Å
452	Y	98.6	Very high	96.9	Very high	25 Å²	25	42.9 Å²	42.9	10%	0.098	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	6.1	-178.8	-48.4	-61.1	0	0	0	113.2	C450 G454 Q455 I456 Q464 G492 S495 N540	C450-Y452 PolarHBondContact O-N 2.88Å; Y452-G454 PolarHBondContact O-N 3.17Å; Y452-Q455 WeakPolarHBondContact O-CA 3.37Å; Y452-Q455 PolarHBondContact O-N 3.4Å; Y452-I456 WeakPolarHBondContact O-CG1 3.28Å; Y452-I456 PolarHBondContact O-N 2.97Å; Y452-Q464 HydrophobicContact CD2-CG 4.09Å; Y452-Q464 HydrophobicContact CG-CG 4.12Å; Y452-G492 VanDerWaalsContact CE1-CA 3.47Å; Y452-S495 WeakPolarHBondContact OH-CB 3.43Å; Y452-S495 PolarHBondContact OH-OG 3.37Å; Y452-N540 PolarHBondContact OH-ND2 3.05Å
453	D	98.6	Very high	97	Very high	12 Å²	12	39 Å²	39	6%	0.064	20%	0.198	C	C	.	.	H	α-helix	trans	-56.2	-35	-176.4	-77.7	-17.1	0	0	0	113.5	R110 R448 N449 C450 Q455 A457	R110-D453 HydrophobicContact CB-CB 4.44Å; R448-D453 PolarHBondContact N-OD1 3.25Å; N449-D453 WeakPolarHBondContact CA-OD2 3.46Å; N449-D453 PolarHBondContact N-OD1 3.2Å; N449-D453 PolarHBondContact N-OD2 3Å; C450-D453 PolarHBondContact N-OD1 2.79Å; C450-D453 PolarHBondContact N-OD2 3.31Å; C450-D453 VanDerWaalsContact N-OD2 3.1Å; C450-D453 WeakPolarHBondContact O-CB 3.41Å; C450-D453 PolarHBondContact O-N 3.48Å; C450-D453 VanDerWaalsContact O-N 3.09Å; D453-Q455 VanDerWaalsContact C-N 3.31Å; D453-Q455 PolarHBondContact O-N 3.24Å; D453-A457 WeakPolarHBondContact O-CB 3.32Å; D453-A457 PolarHBondContact O-N 3.07Å
454	G	98.3	Very high	97.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.7	-31.7	174.8	0	0	0	0	0	113.4	S113 G392 D393 Y452	S113-G454 WeakPolarHBondContact OG-CA 3.47Å; S113-G454 PolarHBondContact OG-N 3.05Å; G392-G454 CarbonylContact C-O 3.27Å; G392-G454 VanDerWaalsContact CA-O 3.28Å; G392-G454 WeakPolarHBondContact CA-O 3.45Å; D393-G454 PolarHBondContact N-O 3.31Å; D393-G454 CarbonylContact O-C 3.55Å; Y452-G454 PolarHBondContact O-N 3.17Å
455	Q	98.6	Very high	97.3	Very high	2 Å²	2	35 Å²	35	1%	0.009	18%	0.179	C	C	.	.	H	α-helix	trans	-85.7	-38.9	177.3	-171.6	167.3	-81.9	0	0	112.1	L394 Y452 D453 A457 V458 F459 I491	L394-Q455 HydrophobicContact CD2-CB 4.03Å; L394-Q455 HydrophobicContact CD2-CG 3.81Å; Y452-Q455 WeakPolarHBondContact O-CA 3.37Å; Y452-Q455 PolarHBondContact O-N 3.4Å; D453-Q455 VanDerWaalsContact C-N 3.31Å; D453-Q455 PolarHBondContact O-N 3.24Å; Q455-A457 PolarHBondContact O-N 2.94Å; Q455-V458 PolarHBondContact O-N 3.29Å; Q455-F459 HydrophobicContact CG-CD2 3.85Å; Q455-F459 HydrophobicContact CG-CE2 4.36Å; Q455-F459 PolarHBondContact O-N 3.45Å; Q455-I491 PolarHBondContact NE2-O 2.76Å
456	I	98.6	Very high	97.4	Very high	5 Å²	5	38.8 Å²	38.8	3%	0.026	20%	0.198	C	C	.	.	H	α-helix	trans	-60.1	-36.7	175	-69.9	169.7	0	0	0	110.8	C445 R448 Y452 V458 G460 Q464	C445-I456 PolarHBondContact SG-O 3.1Å; R448-I456 HydrophobicContact CG-CD1 4.17Å; Y452-I456 WeakPolarHBondContact O-CG1 3.28Å; Y452-I456 PolarHBondContact O-N 2.97Å; I456-V458 PolarHBondContact O-N 2.78Å; I456-V458 VanDerWaalsContact O-N 3.12Å; I456-G460 VanDerWaalsContact O-CA 3.26Å; I456-G460 WeakPolarHBondContact O-CA 3.31Å; I456-G460 PolarHBondContact O-N 2.79Å; I456-Q464 HydrophobicContact CD1-CG 4.33Å; I456-Q464 HydrophobicContact CG1-CB 4.02Å; I456-Q464 HydrophobicContact CG1-CG 4.15Å
457	A	98.3	Very high	97.5	Very high	6 Å²	6	37 Å²	37	5%	0.05	19%	0.186	C	C	.	.	H	α-helix	trans	-57.6	-24.9	174.6	0	0	0	0	0	113.6	P349 W350 D453 Q455	P349-A457 HydrophobicContact CB-CB 4.21Å; P349-A457 HydrophobicContact CG-CB 3.8Å; W350-A457 PolarHBondContact NE1-O 3.23Å; D453-A457 WeakPolarHBondContact O-CB 3.32Å; D453-A457 PolarHBondContact O-N 3.07Å; Q455-A457 PolarHBondContact O-N 2.94Å
458	V	98.2	Very high	97.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-94.5	-53.1	178.3	179.1	0	0	0	0	111.2	L194 W350 L389 L394 L432 L440 Q455 I456	L194-V458 HydrophobicContact CD1-CG1 4.07Å; L194-V458 HydrophobicContact CG-CG1 4.02Å; W350-V458 PolarHBondContact NE1-O 3.07Å; L389-V458 HydrophobicContact CD1-CG1 4.49Å; L389-V458 HydrophobicContact CD2-CB 4.34Å; L389-V458 HydrophobicContact CD2-CG1 3.93Å; L389-V458 HydrophobicContact CD2-CG2 4.47Å; L394-V458 HydrophobicContact CD1-CG1 4.28Å; L394-V458 HydrophobicContact CD1-CG2 4.2Å; L394-V458 HydrophobicContact CD2-CB 4.32Å; L394-V458 HydrophobicContact CD2-CG2 4.03Å; L394-V458 HydrophobicContact CG-CG2 4.14Å; L432-V458 HydrophobicContact CD2-CG1 4.31Å; L440-V458 VanDerWaalsContact CD1-O 3.25Å; L440-V458 WeakPolarHBondContact CD1-O 3.38Å; Q455-V458 PolarHBondContact O-N 3.29Å; I456-V458 PolarHBondContact O-N 2.78Å; I456-V458 VanDerWaalsContact O-N 3.12Å
459	F	97.3	Very high	97.7	Very high	8 Å²	8	30.1 Å²	30.1	4%	0.035	15%	0.153	C	C	.	.	H	α-helix	trans	-108	-7.8	-166.1	-60.3	-64.8	0	0	0	115	L194 L394 C431 L432 Q455 L463 F909	L194-F459 HydrophobicContact CD1-CE1 4.33Å; L194-F459 HydrophobicContact CD1-CZ 4.48Å; L194-F459 HydrophobicContact CD2-CZ 4.03Å; L394-F459 HydrophobicContact CD1-CE2 4Å; L394-F459 HydrophobicContact CD1-CZ 4.25Å; L394-F459 HydrophobicContact CD2-CD2 4.33Å; L394-F459 HydrophobicContact CD2-CE2 3.87Å; C431-F459 HydrophobicContact CB-CE1 4.08Å; C431-F459 HydrophobicContact CB-CZ 4.12Å; C431-F459 WeakPolarHBondContact O-CE1 3.4Å; L432-F459 HydrophobicContact CD2-CD1 4.41Å; L432-F459 HydrophobicContact CD2-CE1 4.32Å; Q455-F459 HydrophobicContact CG-CD2 3.85Å; Q455-F459 HydrophobicContact CG-CE2 4.36Å; Q455-F459 PolarHBondContact O-N 3.45Å; F459-L463 HydrophobicContact CB-CB 4.12Å; F459-L463 HydrophobicContact CB-CD2 3.58Å; F459-L463 HydrophobicContact CB-CG 4.35Å; F459-L463 HydrophobicContact CD1-CD2 3.95Å; F459-L463 HydrophobicContact CD2-CD2 4.41Å; F459-L463 HydrophobicContact CG-CD2 3.75Å; F459-F909 HydrophobicContact CD2-CE1 4.42Å; F459-F909 HydrophobicContact CE2-CD1 4.13Å; F459-F909 AromaticContact CE2-CD2 3.92Å; F459-F909 HydrophobicContact CE2-CD2 3.92Å; F459-F909 AromaticContact CE2-CE1 3.98Å; F459-F909 HydrophobicContact CE2-CE1 3.98Å; F459-F909 AromaticContact CE2-CE2 3.75Å; F459-F909 HydrophobicContact CE2-CE2 3.75Å; F459-F909 HydrophobicContact CE2-CG 4.11Å; F459-F909 AromaticContact CE2-CZ 3.8Å; F459-F909 HydrophobicContact CE2-CZ 3.8Å; F459-F909 HydrophobicContact CZ-CB 4.43Å; F459-F909 HydrophobicContact CZ-CD1 4.42Å; F459-F909 AromaticContact CZ-CD2 3.76Å; F459-F909 HydrophobicContact CZ-CD2 3.76Å; F459-F909 HydrophobicContact CZ-CE2 4.03Å; F459-F909 AromaticContact CZ-CG 3.98Å; F459-F909 HydrophobicContact CZ-CG 3.98Å; F459-F909 HydrophobicContact CZ-CZ 4.48Å
460	G	97.1	Very high	97.9	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.01	13%	0.128	C	C	.	.	H	α-helix	trans	81.2	162.5	-177.8	0	0	0	0	0	114.3	I456 K462 Q464	I456-G460 VanDerWaalsContact O-CA 3.26Å; I456-G460 WeakPolarHBondContact O-CA 3.31Å; I456-G460 PolarHBondContact O-N 2.79Å; G460-K462 VanDerWaalsContact C-N 3.28Å; G460-K462 PolarHBondContact O-N 2.89Å; G460-Q464 PolarHBondContact O-N 3.22Å
461	S	96.7	Very high	97.9	Very high	37 Å²	37	27.3 Å²	27.3	26%	0.259	13%	0.13	S	C	.	.	H	α-helix	trans	-68.1	-23.8	-177.7	54.1	0	0	0	0	114	E444 Q464 K465	E444-S461 PolarHBondContact O-N 3.34Å; E444-S461 VanDerWaalsContact O-N 3.1Å; S461-Q464 PolarHBondContact O-N 3.11Å; S461-K465 PolarHBondContact O-N 3.06Å; S461-K465 VanDerWaalsContact O-N 3.16Å
462	K	95.6	Very high	98	Very high	134 Å²	134	27 Å²	27	58%	0.583	13%	0.129	S	C	*	.	H	α-helix	trans	-69.4	-46.7	179.9	-66.2	178.3	-167.2	137.3	0	111.6	E444 G460 Q464 K465 I466	E444-K462 VanDerWaalsContact OE1-CB 3.27Å; E444-K462 WeakPolarHBondContact OE1-CB 3.49Å; E444-K462 WeakPolarHBondContact OE1-CD 3.29Å; E444-K462 WeakPolarHBondContact OE1-CG 3.48Å; E444-K462 IonicContact OE1-NZ 2.63Å; E444-K462 WeakPolarHBondContact OE2-CE 3.4Å; E444-K462 IonicContact OE2-NZ 3.04Å; E444-K462 PolarHBondContact OE2-NZ 3.3Å; G460-K462 VanDerWaalsContact C-N 3.28Å; G460-K462 PolarHBondContact O-N 2.89Å; K462-Q464 VanDerWaalsContact C-N 3.27Å; K462-Q464 PolarHBondContact O-N 3.15Å; K462-K465 PolarHBondContact O-N 2.99Å; K462-I466 WeakPolarHBondContact O-CG1 3.46Å; K462-I466 PolarHBondContact O-N 2.81Å; K462-I466 VanDerWaalsContact O-N 3.12Å
463	L	96.5	Very high	98	Very high	11 Å²	11	25.8 Å²	25.8	6%	0.058	12%	0.124	C	C	.	.	H	α-helix	trans	-63.1	-38.7	176.1	-175.8	59.5	0	0	0	110.9	F459 K465 I466 L467 I912 Q913	F459-L463 HydrophobicContact CB-CB 4.12Å; F459-L463 HydrophobicContact CB-CD2 3.58Å; F459-L463 HydrophobicContact CB-CG 4.35Å; F459-L463 HydrophobicContact CD1-CD2 3.95Å; F459-L463 HydrophobicContact CD2-CD2 4.41Å; F459-L463 HydrophobicContact CG-CD2 3.75Å; L463-K465 PolarHBondContact O-N 3.24Å; L463-I466 HydrophobicContact CD1-CB 4.39Å; L463-I466 PolarHBondContact O-N 3.39Å; L463-I466 VanDerWaalsContact O-N 3.1Å; L463-L467 HydrophobicContact CG-CD1 4.05Å; L463-L467 HydrophobicContact CG-CG 4.38Å; L463-L467 WeakPolarHBondContact O-CG 3.14Å; L463-L467 PolarHBondContact O-N 3.49Å; L463-I912 HydrophobicContact CD1-CG2 4.1Å; L463-Q913 HydrophobicContact CD1-CG 3.55Å; L463-Q913 HydrophobicContact CD2-CG 3.73Å; L463-Q913 HydrophobicContact CG-CG 4.29Å
464	Q	98.1	Very high	98	Very high	14 Å²	14	25.2 Å²	25.2	7%	0.065	12%	0.121	C	C	.	.	H	α-helix	trans	-55.8	-40.6	175.3	-171.3	60.3	46.8	0	0	112.4	Y452 I456 G460 S461 K462 L467 A468 I491	Y452-Q464 HydrophobicContact CD2-CG 4.09Å; Y452-Q464 HydrophobicContact CG-CG 4.12Å; I456-Q464 HydrophobicContact CD1-CG 4.33Å; I456-Q464 HydrophobicContact CG1-CB 4.02Å; I456-Q464 HydrophobicContact CG1-CG 4.15Å; G460-Q464 PolarHBondContact O-N 3.22Å; S461-Q464 PolarHBondContact O-N 3.11Å; K462-Q464 VanDerWaalsContact C-N 3.27Å; K462-Q464 PolarHBondContact O-N 3.15Å; Q464-L467 WeakPolarHBondContact O-CB 3.45Å; Q464-L467 PolarHBondContact O-N 2.94Å; Q464-A468 PolarHBondContact O-N 3.3Å; Q464-A468 VanDerWaalsContact O-N 3.12Å; Q464-I491 PolarHBondContact NE2-O 3.06Å
465	K	97.5	Very high	98	Very high	79 Å²	79	25.4 Å²	25.4	34%	0.343	12%	0.122	S	C	.	.	H	α-helix	trans	-68	-41.8	176.1	179.7	55.5	-179.2	144.2	0	112.1	S461 K462 L463 L467 A468 D469 E496	S461-K465 PolarHBondContact O-N 3.06Å; S461-K465 VanDerWaalsContact O-N 3.16Å; K462-K465 PolarHBondContact O-N 2.99Å; L463-K465 PolarHBondContact O-N 3.24Å; K465-L467 VanDerWaalsContact C-N 3.3Å; K465-L467 PolarHBondContact O-N 3.04Å; K465-A468 WeakPolarHBondContact O-CB 3.34Å; K465-A468 PolarHBondContact O-N 3.36Å; K465-A468 VanDerWaalsContact O-N 3.16Å; K465-D469 VanDerWaalsContact CE-OD2 3.31Å; K465-D469 WeakPolarHBondContact CE-OD2 3.47Å; K465-D469 VanDerWaalsContact NZ-CG 3.3Å; K465-D469 IonicContact NZ-OD1 3.57Å; K465-D469 PolarHBondContact NZ-OD1 3.03Å; K465-D469 IonicContact NZ-OD2 2.82Å; K465-D469 PolarHBondContact NZ-OD2 3.14Å; K465-D469 PolarHBondContact O-N 3.44Å; K465-E496 WeakPolarHBondContact CE-OE2 3.46Å; K465-E496 IonicContact NZ-OE2 2.78Å; K465-E496 PolarHBondContact NZ-OE2 3.3Å
466	I	98.1	Very high	98	Very high	79 Å²	79	25.6 Å²	25.6	41%	0.405	13%	0.125	S	C	.	.	H	α-helix	trans	-60.9	-41.6	176	-63.1	169.2	0	0	0	110.8	K462 L463 A468 D469 Q470 I912	K462-I466 WeakPolarHBondContact O-CG1 3.46Å; K462-I466 PolarHBondContact O-N 2.81Å; K462-I466 VanDerWaalsContact O-N 3.12Å; L463-I466 HydrophobicContact CD1-CB 4.39Å; L463-I466 PolarHBondContact O-N 3.39Å; L463-I466 VanDerWaalsContact O-N 3.1Å; I466-A468 VanDerWaalsContact C-N 3.32Å; I466-A468 PolarHBondContact O-N 3.46Å; I466-D469 PolarHBondContact O-N 2.75Å; I466-Q470 WeakPolarHBondContact O-CG 3.33Å; I466-Q470 PolarHBondContact O-N 3.45Å; I466-Q470 PolarHBondContact O-NE2 3.1Å; I466-I912 HydrophobicContact CG2-CG2 3.62Å
467	L	98.5	Very high	98	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-58.6	-43.8	174.7	-73.6	160.2	0	0	0	111.4	L463 Q464 K465 D469 Q470 I491 L493 A494 F909 I912	L463-L467 HydrophobicContact CG-CD1 4.05Å; L463-L467 HydrophobicContact CG-CG 4.38Å; L463-L467 WeakPolarHBondContact O-CG 3.14Å; L463-L467 PolarHBondContact O-N 3.49Å; Q464-L467 WeakPolarHBondContact O-CB 3.45Å; Q464-L467 PolarHBondContact O-N 2.94Å; K465-L467 VanDerWaalsContact C-N 3.3Å; K465-L467 PolarHBondContact O-N 3.04Å; L467-D469 PolarHBondContact O-N 3.05Å; L467-Q470 WeakPolarHBondContact O-CB 3.32Å; L467-Q470 WeakPolarHBondContact O-CG 3.33Å; L467-Q470 PolarHBondContact O-N 2.96Å; L467-I491 HydrophobicContact CD1-CG2 4.11Å; L467-I491 HydrophobicContact CD2-CG2 3.76Å; L467-I491 HydrophobicContact CG-CG2 4.41Å; L467-L493 HydrophobicContact CD2-CD1 4.31Å; L467-L493 WeakPolarHBondContact O-CA 3.35Å; L467-A494 PolarHBondContact O-N 2.94Å; L467-F909 HydrophobicContact CD1-CD1 4.33Å; L467-F909 HydrophobicContact CD1-CE1 4.04Å; L467-F909 HydrophobicContact CD2-CD1 4.27Å; L467-F909 HydrophobicContact CD2-CE1 4.34Å; L467-I912 HydrophobicContact CD2-CD1 3.36Å; L467-I912 HydrophobicContact CD2-CG2 4.17Å; L467-I912 HydrophobicContact CG-CG2 4.43Å
468	A	98.4	Very high	98	Very high	2 Å²	2	25.7 Å²	25.7	2%	0.017	13%	0.127	C	C	.	.	H	α-helix	trans	-63	-25.3	-179.4	0	0	0	0	0	113.9	Q464 K465 I466 G492 A494 S495 E496 G498	Q464-A468 PolarHBondContact O-N 3.3Å; Q464-A468 VanDerWaalsContact O-N 3.12Å; K465-A468 WeakPolarHBondContact O-CB 3.34Å; K465-A468 PolarHBondContact O-N 3.36Å; K465-A468 VanDerWaalsContact O-N 3.16Å; I466-A468 VanDerWaalsContact C-N 3.32Å; I466-A468 PolarHBondContact O-N 3.46Å; A468-G492 WeakPolarHBondContact CA-O 3.38Å; A468-A494 CarbonylContact O-C 3.59Å; A468-A494 WeakPolarHBondContact O-CA 3.35Å; A468-S495 WeakPolarHBondContact CB-OG 3.03Å; A468-S495 PolarHBondContact O-N 2.94Å; A468-S495 VanDerWaalsContact O-N 3.12Å; A468-E496 HydrophobicContact CB-CB 3.84Å; A468-E496 HydrophobicContact CB-CG 3.93Å; A468-E496 PolarHBondContact O-N 3.1Å; A468-G498 PolarHBondContact O-N 3.16Å
469	D	98.4	Very high	98	Very high	56 Å²	56	26.3 Å²	26.3	30%	0.299	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	2.6	-177.8	-62.5	-21.3	0	0	0	113.3	K465 I466 L467 E497	K465-D469 VanDerWaalsContact CE-OD2 3.31Å; K465-D469 WeakPolarHBondContact CE-OD2 3.47Å; K465-D469 VanDerWaalsContact NZ-CG 3.3Å; K465-D469 IonicContact NZ-OD1 3.57Å; K465-D469 PolarHBondContact NZ-OD1 3.03Å; K465-D469 IonicContact NZ-OD2 2.82Å; K465-D469 PolarHBondContact NZ-OD2 3.14Å; K465-D469 PolarHBondContact O-N 3.44Å; I466-D469 PolarHBondContact O-N 2.75Å; L467-D469 PolarHBondContact O-N 3.05Å; D469-E497 PolarHBondContact OD1-N 2.99Å; D469-E497 VanDerWaalsContact OD1-N 3.11Å
470	Q	98.6	Very high	98	Very high	21 Å²	21	26.4 Å²	26.4	10%	0.098	13%	0.133	C	C	.	.			trans	-72.7	144.5	-178.7	-64.6	-57.1	-63.4	0	0	113.7	I466 L467 Y472 L493 A494 G498 E499 N569 I912	I466-Q470 WeakPolarHBondContact O-CG 3.33Å; I466-Q470 PolarHBondContact O-N 3.45Å; I466-Q470 PolarHBondContact O-NE2 3.1Å; L467-Q470 WeakPolarHBondContact O-CB 3.32Å; L467-Q470 WeakPolarHBondContact O-CG 3.33Å; L467-Q470 PolarHBondContact O-N 2.96Å; Q470-Y472 HydrophobicContact CB-CD2 3.89Å; Q470-Y472 HydrophobicContact CB-CE2 3.97Å; Q470-Y472 HydrophobicContact CG-CE2 4.23Å; Q470-L493 HydrophobicContact CB-CD1 3.46Å; Q470-L493 VanDerWaalsContact CB-CD1 3.46Å; Q470-L493 HydrophobicContact CB-CG 4.19Å; Q470-L493 HydrophobicContact CG-CD1 3.64Å; Q470-A494 WeakPolarHBondContact O-CB 3.08Å; Q470-G498 CarbonylContact O-C 3.55Å; Q470-G498 WeakPolarHBondContact O-CA 3.41Å; Q470-E499 PolarHBondContact O-N 2.85Å; Q470-E499 VanDerWaalsContact O-N 3.1Å; Q470-N569 VanDerWaalsContact OE1-CB 3.27Å; Q470-I912 HydrophobicContact CG-CD1 3.8Å; Q470-I912 HydrophobicContact CG-CG1 4.13Å; Q470-I912 HydrophobicContact CG-CG2 4.24Å
471	R	98.7	Very high	98.1	Very high	72 Å²	72	26.3 Å²	26.3	27%	0.272	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	112.4	171.3	-163.5	174.6	-166.1	-159.9	1.4	111.6	E499 I501 S567 L568 N569	R471-E499 CarbonylContact C-O 3.59Å; R471-E499 WeakPolarHBondContact CA-O 3.36Å; R471-E499 HydrophobicContact CG-CB 4.25Å; R471-E499 WeakPolarHBondContact CG-O 3.37Å; R471-E499 IonicContact CZ-OE2 3.9Å; R471-E499 IonicContact NE-OE2 3.68Å; R471-E499 PolarHBondContact NE-OE2 3.07Å; R471-E499 IonicContact NH2-OE2 2.64Å; R471-E499 PolarHBondContact NH2-OE2 3.43Å; R471-I501 HydrophobicContact CG-CD1 4.13Å; R471-S567 PolarHBondContact NH1-OG 3.17Å; R471-L568 HydrophobicContact CG-CD2 4.06Å; R471-N569 PolarHBondContact N-OD1 3.43Å; R471-N569 PolarHBondContact O-N 2.66Å
472	Y	98.8	Very high	98.2	Very high	1 Å²	1	24.6 Å²	24.6	0%	0.004	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	143.6	-175.6	-91.8	-107.3	0	0	0	112.2	Q470 L493 E499 V500 I501 N569 G570 L908 I912	Q470-Y472 HydrophobicContact CB-CD2 3.89Å; Q470-Y472 HydrophobicContact CB-CE2 3.97Å; Q470-Y472 HydrophobicContact CG-CE2 4.23Å; Y472-L493 HydrophobicContact CD2-CD1 4.23Å; Y472-L493 HydrophobicContact CD2-CD2 4.15Å; Y472-L493 HydrophobicContact CE2-CD1 4.34Å; Y472-L493 HydrophobicContact CG-CD2 4.12Å; Y472-E499 PolarHBondContact N-O 2.85Å; Y472-V500 WeakPolarHBondContact O-CA 3.45Å; Y472-I501 PolarHBondContact O-N 3.49Å; Y472-N569 HydrophobicContact CD2-CB 4.48Å; Y472-N569 HydrophobicContact CE2-CB 4.09Å; Y472-G570 WeakPolarHBondContact CA-O 3.39Å; Y472-L908 HydrophobicContact CD1-CD1 4.31Å; Y472-L908 HydrophobicContact CE1-CD1 3.44Å; Y472-L908 VanDerWaalsContact CE1-CD1 3.44Å; Y472-L908 HydrophobicContact CE2-CD1 4.18Å; Y472-L908 VanDerWaalsContact OH-CD1 3.28Å; Y472-L908 WeakPolarHBondContact OH-CD1 3.27Å; Y472-I912 HydrophobicContact CE2-CD1 4.32Å; Y472-I912 HydrophobicContact CE2-CG1 4.38Å
473	F	98.9	Very high	98.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	118.1	171.2	-176.9	-143.6	0	0	0	110.5	V475 I501 T503 V552 Y560 F564 L568 G570 V571 A572 M584	F473-V475 HydrophobicContact CD1-CG2 3.71Å; F473-V475 HydrophobicContact CE1-CG2 3.5Å; F473-V475 VanDerWaalsContact CE1-CG2 3.5Å; F473-V475 HydrophobicContact CE2-CG2 4.35Å; F473-V475 HydrophobicContact CG-CG2 4.25Å; F473-V475 HydrophobicContact CZ-CG2 3.85Å; F473-I501 HydrophobicContact CD2-CB 4.05Å; F473-I501 HydrophobicContact CD2-CG2 4.05Å; F473-I501 WeakPolarHBondContact CD2-O 3.39Å; F473-I501 HydrophobicContact CE2-CG2 4.18Å; F473-T503 HydrophobicContact CE2-CG2 3.57Å; F473-T503 HydrophobicContact CZ-CG2 3.57Å; F473-V552 HydrophobicContact CE1-CG2 4.36Å; F473-V552 HydrophobicContact CZ-CG2 3.86Å; F473-Y560 HydrophobicContact CE1-CD1 4.45Å; F473-Y560 HydrophobicContact CE2-CD1 4.42Å; F473-Y560 AromaticContact CE2-CE1 3.86Å; F473-Y560 HydrophobicContact CE2-CE1 3.86Å; F473-Y560 AromaticContact CZ-CD1 3.95Å; F473-Y560 HydrophobicContact CZ-CD1 3.95Å; F473-Y560 AromaticContact CZ-CE1 3.66Å; F473-Y560 HydrophobicContact CZ-CE1 3.66Å; F473-Y560 HydrophobicContact CZ-CE2 4.38Å; F473-Y560 HydrophobicContact CZ-CG 4.4Å; F473-Y560 AromaticContact CZ-CZ 3.9Å; F473-F564 HydrophobicContact CB-CE1 4.34Å; F473-F564 HydrophobicContact CB-CZ 4.18Å; F473-F564 AromaticContact CD1-CE1 3.74Å; F473-F564 HydrophobicContact CD1-CE1 3.74Å; F473-F564 HydrophobicContact CD1-CZ 4.08Å; F473-F564 HydrophobicContact CD2-CE1 4.19Å; F473-F564 AromaticContact CD2-CZ 3.67Å; F473-F564 HydrophobicContact CD2-CZ 3.67Å; F473-F564 AromaticContact CE1-CE1 3.95Å; F473-F564 HydrophobicContact CE1-CE1 3.95Å; F473-F564 HydrophobicContact CE1-CZ 4.34Å; F473-F564 HydrophobicContact CE2-CE1 4.39Å; F473-F564 AromaticContact CE2-CZ 3.97Å; F473-F564 HydrophobicContact CE2-CZ 3.97Å; F473-F564 AromaticContact CG-CE1 3.86Å; F473-F564 HydrophobicContact CG-CE1 3.86Å; F473-F564 AromaticContact CG-CZ 3.73Å; F473-F564 HydrophobicContact CG-CZ 3.73Å; F473-F564 HydrophobicContact CZ-CE1 4.27Å; F473-F564 HydrophobicContact CZ-CZ 4.27Å; F473-L568 HydrophobicContact CB-CD1 3.59Å; F473-L568 HydrophobicContact CB-CD2 4.09Å; F473-L568 HydrophobicContact CB-CG 4.49Å; F473-L568 HydrophobicContact CD1-CD1 4.45Å; F473-L568 HydrophobicContact CG-CD1 4.38Å; F473-G570 PolarHBondContact N-O 3.48Å; F473-G570 VanDerWaalsContact N-O 3.14Å; F473-V571 HydrophobicContact CB-CG2 4.39Å; F473-V571 HydrophobicContact CD1-CG1 4.49Å; F473-V571 WeakPolarHBondContact O-CA 3.38Å; F473-A572 PolarHBondContact O-N 2.79Å; F473-M584 HydrophobicContact CD1-CE 3.98Å; F473-M584 HydrophobicContact CE1-CE 3.97Å; F473-M584 HydrophobicContact CE1-SD 4.47Å
474	L	98.9	Very high	98.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	118.5	175.6	176.6	63.7	0	0	0	109.9	L484 L485 V500 I501 V502 T503 A572 A574	L474-L484 HydrophobicContact CD1-CB 4.2Å; L474-L484 HydrophobicContact CD1-CD1 3.53Å; L474-L484 HydrophobicContact CD2-CB 4.47Å; L474-L485 HydrophobicContact CD2-CD1 4.08Å; L474-L485 HydrophobicContact CD2-CD2 3.48Å; L474-L485 VanDerWaalsContact CD2-CD2 3.48Å; L474-L485 HydrophobicContact CD2-CG 3.44Å; L474-L485 VanDerWaalsContact CD2-CG 3.44Å; L474-V500 HydrophobicContact CB-CG1 4.5Å; L474-I501 PolarHBondContact N-O 2.85Å; L474-V502 HydrophobicContact CB-CB 4.38Å; L474-V502 HydrophobicContact CB-CG2 4.39Å; L474-V502 HydrophobicContact CD2-CB 4.35Å; L474-V502 HydrophobicContact CD2-CG2 3.89Å; L474-V502 HydrophobicContact CG-CG2 4.15Å; L474-V502 WeakPolarHBondContact O-CA 3.35Å; L474-T503 PolarHBondContact O-N 2.96Å; L474-T503 VanDerWaalsContact O-N 3.07Å; L474-A572 WeakPolarHBondContact CA-O 3.41Å; L474-A572 HydrophobicContact CD1-CB 4.14Å; L474-A574 HydrophobicContact CD1-CB 4.05Å
475	V	98.8	Very high	98.5	Very high	5 Å²	5	17 Å²	17	3%	0.03	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	101.5	-178.5	-167.7	0	0	0	0	110.4	F473 T503 V552 V571 A572 A574 L575 M584	F473-V475 HydrophobicContact CD1-CG2 3.71Å; F473-V475 HydrophobicContact CE1-CG2 3.5Å; F473-V475 VanDerWaalsContact CE1-CG2 3.5Å; F473-V475 HydrophobicContact CE2-CG2 4.35Å; F473-V475 HydrophobicContact CG-CG2 4.25Å; F473-V475 HydrophobicContact CZ-CG2 3.85Å; V475-T503 HydrophobicContact CG1-CG2 4.35Å; V475-V552 HydrophobicContact CG1-CB 3.94Å; V475-V552 HydrophobicContact CG1-CG1 4.45Å; V475-V552 HydrophobicContact CG1-CG2 3.68Å; V475-V571 HydrophobicContact CG2-CG1 4.29Å; V475-A572 PolarHBondContact N-O 3.33Å; V475-A574 CarbonylContact O-C 3.56Å; V475-A574 WeakPolarHBondContact O-CA 3.39Å; V475-A574 PolarHBondContact O-N 2.99Å; V475-L575 HydrophobicContact CB-CD2 4.47Å; V475-L575 HydrophobicContact CG1-CD2 3.74Å; V475-L575 HydrophobicContact CG1-CG 4.37Å; V475-M584 HydrophobicContact CG1-CG 4.41Å; V475-M584 HydrophobicContact CG2-CE 3.81Å; V475-M584 HydrophobicContact CG2-CG 4.2Å; V475-M584 HydrophobicContact CG2-SD 4.1Å
476	G	98.3	Very high	98.6	Very high	6 Å²	6	13.2 Å²	13.2	6%	0.062	7%	0.07	C	C	.	.			trans	109	136.4	-174.9	0	0	0	0	0	112.6	T503 A574	G476-T503 WeakPolarHBondContact CA-O 3.5Å; G476-T503 PolarHBondContact N-O 2.94Å; G476-A574 WeakPolarHBondContact O-CB 3.15Å
477	A	98.3	Very high	98.6	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.051	C	C	.	.			trans	-120.8	25.2	177.5	0	0	0	0	0	111.4	V502 D504 K528	A477-V502 HydrophobicContact CB-CG2 4.05Å; A477-D504 WeakPolarHBondContact CA-OD2 3.49Å; A477-D504 HydrophobicContact CB-CB 3.63Å; A477-D504 PolarHBondContact N-OD2 3.46Å; A477-K528 HydrophobicContact CB-CB 3.84Å
478	G	97.6	Very high	98.7	Very high	12 Å²	12	9.4 Å²	9.4	12%	0.124	5%	0.051	C	C	.	.	S	Bend	trans	-75.2	-148.6	172.9	0	0	0	0	0	113.4	G481 C482	G478-G481 PolarHBondContact O-N 3.49Å; G478-C482 PolarHBondContact O-N 3.35Å; G478-C482 PolarHBondContact O-SG 2.87Å
479	A	98.2	Very high	98.7	Very high	13 Å²	13	9.3 Å²	9.3	11%	0.107	5%	0.05	C	C	.	.	H	α-helix	trans	-59.4	-55.1	-176.1	0	0	0	0	0	112	G481 C482 E483 R515 Q516 T897	A479-G481 VanDerWaalsContact C-N 3.3Å; A479-G481 PolarHBondContact O-N 3.13Å; A479-C482 PolarHBondContact O-N 3.28Å; A479-E483 PolarHBondContact O-N 2.62Å; A479-R515 HydrophobicContact CB-CB 4.42Å; A479-R515 HydrophobicContact CB-CG 3.81Å; A479-Q516 HydrophobicContact CB-CG 4.27Å; A479-T897 VanDerWaalsContact C-CG2 3.4Å; A479-T897 HydrophobicContact CB-CG2 3.83Å; A479-T897 WeakPolarHBondContact O-CG2 3.44Å
480	I	98.8	Very high	98.7	Very high	10 Å²	10	6.7 Å²	6.7	5%	0.051	4%	0.036	C	C	.	.	H	α-helix	trans	-61.2	-41.1	176.5	-65.4	174.6	0	0	0	110.4	C482 E483 L484 A574 T600 T897 V901	I480-C482 PolarHBondContact O-N 2.99Å; I480-E483 PolarHBondContact O-N 3.07Å; I480-L484 HydrophobicContact CG2-CD1 3.71Å; I480-L484 HydrophobicContact CG2-CG 4.22Å; I480-L484 WeakPolarHBondContact O-CB 3.41Å; I480-L484 WeakPolarHBondContact O-CG 3.2Å; I480-L484 PolarHBondContact O-N 3.37Å; I480-A574 HydrophobicContact CB-CB 3.95Å; I480-A574 HydrophobicContact CG2-CB 3.76Å; I480-T600 HydrophobicContact CD1-CG2 4.36Å; I480-T897 HydrophobicContact CG1-CG2 4Å; I480-V901 HydrophobicContact CB-CG2 4.36Å; I480-V901 HydrophobicContact CG2-CG2 3.79Å
481	G	98.8	Very high	98.7	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-62.5	-42.5	-179.2	0	0	0	0	0	112.9	G478 A479 L484 L485	G478-G481 PolarHBondContact O-N 3.49Å; A479-G481 VanDerWaalsContact C-N 3.3Å; A479-G481 PolarHBondContact O-N 3.13Å; G481-L484 PolarHBondContact O-N 3.19Å; G481-L485 WeakPolarHBondContact O-CB 3.14Å; G481-L485 VanDerWaalsContact O-CG 3.3Å; G481-L485 WeakPolarHBondContact O-CG 3.2Å; G481-L485 PolarHBondContact O-N 2.7Å
482	C	98.9	Very high	98.7	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-61.6	-45.7	175.2	-72.8	0	0	0	0	112.3	G478 A479 I480 L485 K486 L518	G478-C482 PolarHBondContact O-N 3.35Å; G478-C482 PolarHBondContact O-SG 2.87Å; A479-C482 PolarHBondContact O-N 3.28Å; I480-C482 PolarHBondContact O-N 2.99Å; C482-L485 PolarHBondContact O-N 3.12Å; C482-K486 PolarHBondContact O-N 2.8Å; C482-L518 HydrophobicContact CB-CB 4.47Å; C482-L518 HydrophobicContact CB-CD1 3.86Å; C482-L518 HydrophobicContact CB-CG 3.9Å
483	E	98.9	Very high	98.7	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-65.9	-39.7	177.3	-75.7	-61.4	149.1	0	0	112.1	K89 A479 I480 K486 N487 F517 T897 V901	K89-E483 WeakPolarHBondContact CE-OE1 3.32Å; K89-E483 IonicContact NZ-OE1 2.68Å; K89-E483 PolarHBondContact NZ-OE1 2.77Å; A479-E483 PolarHBondContact O-N 2.62Å; I480-E483 PolarHBondContact O-N 3.07Å; E483-K486 PolarHBondContact O-N 2.91Å; E483-K486 WeakPolarHBondContact OE2-CE 3.34Å; E483-K486 IonicContact OE2-NZ 2.63Å; E483-K486 PolarHBondContact OE2-NZ 2.78Å; E483-N487 PolarHBondContact O-N 3.4Å; E483-N487 PolarHBondContact O-ND2 2.82Å; E483-F517 WeakPolarHBondContact OE1-CE1 3.46Å; E483-T897 HydrophobicContact CB-CG2 4.42Å; E483-T897 HydrophobicContact CG-CG2 3.87Å; E483-V901 HydrophobicContact CB-CB 3.8Å; E483-V901 HydrophobicContact CB-CG1 3.82Å; E483-V901 HydrophobicContact CB-CG2 3.71Å
484	L	98.9	Very high	98.6	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-63.9	-45.9	176.6	-81.3	169.5	0	0	0	110.7	L474 I480 G481 K486 N487 F488 A572 A574 V901 V904	L474-L484 HydrophobicContact CD1-CB 4.2Å; L474-L484 HydrophobicContact CD1-CD1 3.53Å; L474-L484 HydrophobicContact CD2-CB 4.47Å; I480-L484 HydrophobicContact CG2-CD1 3.71Å; I480-L484 HydrophobicContact CG2-CG 4.22Å; I480-L484 WeakPolarHBondContact O-CB 3.41Å; I480-L484 WeakPolarHBondContact O-CG 3.2Å; I480-L484 PolarHBondContact O-N 3.37Å; G481-L484 PolarHBondContact O-N 3.19Å; L484-K486 PolarHBondContact O-N 3.34Å; L484-N487 PolarHBondContact O-N 3.46Å; L484-F488 HydrophobicContact CB-CE2 4.43Å; L484-F488 HydrophobicContact CB-CZ 4.31Å; L484-F488 HydrophobicContact CD2-CE1 3.96Å; L484-F488 HydrophobicContact CD2-CZ 3.98Å; L484-F488 WeakPolarHBondContact O-CB 3.39Å; L484-F488 WeakPolarHBondContact O-CD1 3.46Å; L484-F488 WeakPolarHBondContact O-CG 3.33Å; L484-F488 PolarHBondContact O-N 3.13Å; L484-A572 HydrophobicContact CD1-CB 4.23Å; L484-A574 HydrophobicContact CD1-CB 4.3Å; L484-V901 HydrophobicContact CB-CG1 4.46Å; L484-V901 HydrophobicContact CD2-CG1 3.78Å; L484-V901 HydrophobicContact CG-CG1 3.89Å; L484-V901 HydrophobicContact CG-CG2 4.15Å; L484-V904 HydrophobicContact CD2-CB 4.49Å; L484-V904 HydrophobicContact CD2-CG1 3.91Å
485	L	98.9	Very high	98.5	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-62.9	-39.8	177.7	-72.4	177.4	0	0	0	112.5	L474 G481 C482 F488 A489 V500 V502 L518 A532 V536 F543 I545	L474-L485 HydrophobicContact CD2-CD1 4.08Å; L474-L485 HydrophobicContact CD2-CD2 3.48Å; L474-L485 VanDerWaalsContact CD2-CD2 3.48Å; L474-L485 HydrophobicContact CD2-CG 3.44Å; L474-L485 VanDerWaalsContact CD2-CG 3.44Å; G481-L485 WeakPolarHBondContact O-CB 3.14Å; G481-L485 VanDerWaalsContact O-CG 3.3Å; G481-L485 WeakPolarHBondContact O-CG 3.2Å; G481-L485 PolarHBondContact O-N 2.7Å; C482-L485 PolarHBondContact O-N 3.12Å; L485-F488 HydrophobicContact CD2-CD2 4.5Å; L485-A489 WeakPolarHBondContact O-CB 3.02Å; L485-A489 PolarHBondContact O-N 2.77Å; L485-V500 HydrophobicContact CD2-CG1 4.12Å; L485-V502 HydrophobicContact CD1-CG2 4.32Å; L485-L518 HydrophobicContact CB-CD1 4.31Å; L485-A532 HydrophobicContact CD1-CB 3.68Å; L485-V536 HydrophobicContact CB-CG1 3.77Å; L485-F543 HydrophobicContact CD2-CE1 4.31Å; L485-F543 HydrophobicContact CD2-CZ 4.34Å; L485-I545 HydrophobicContact CD1-CD1 4.21Å; L485-I545 HydrophobicContact CD2-CD1 3.43Å; L485-I545 VanDerWaalsContact CD2-CD1 3.43Å; L485-I545 HydrophobicContact CG-CD1 4.45Å
486	K	98.9	Very high	98.3	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-60.2	-48.8	172	170.8	-96.2	-56.1	-165	0	111.1	E86 F116 C482 E483 L484 A489 M490 F517 M539	E86-K486 IonicContact OE1-NZ 2.65Å; E86-K486 IonicContact OE2-NZ 3.69Å; E86-K486 PolarHBondContact OE2-NZ 2.86Å; F116-K486 HydrophobicContact CB-CD 4.5Å; F116-K486 HydrophobicContact CB-CG 3.88Å; F116-K486 HydrophobicContact CD1-CD 3.74Å; F116-K486 HydrophobicContact CD1-CG 3.9Å; F116-K486 HydrophobicContact CE1-CD 4.31Å; F116-K486 HydrophobicContact CG-CD 4.29Å; F116-K486 HydrophobicContact CG-CG 3.91Å; C482-K486 PolarHBondContact O-N 2.8Å; E483-K486 PolarHBondContact O-N 2.91Å; E483-K486 WeakPolarHBondContact OE2-CE 3.34Å; E483-K486 IonicContact OE2-NZ 2.63Å; E483-K486 PolarHBondContact OE2-NZ 2.78Å; L484-K486 PolarHBondContact O-N 3.34Å; K486-A489 PolarHBondContact O-N 2.85Å; K486-M490 HydrophobicContact CD-CG 4.49Å; K486-M490 WeakPolarHBondContact O-CG 3.46Å; K486-M490 PolarHBondContact O-N 2.62Å; K486-F517 HydrophobicContact CB-CE1 4.18Å; K486-F517 HydrophobicContact CB-CZ 3.79Å; K486-F517 HydrophobicContact CG-CZ 3.9Å; K486-M539 HydrophobicContact CB-SD 4.42Å; K486-M539 HydrophobicContact CG-SD 4.33Å
487	N	98.9	Very high	98.1	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-65.1	-42.2	-179.9	-80.1	-77.3	0	0	0	111.8	S395 E483 L484 A489 M490 I491 C905	S395-N487 PolarHBondContact O-OD1 3.29Å; S395-N487 PolarHBondContact OG-OD1 3.04Å; E483-N487 PolarHBondContact O-N 3.4Å; E483-N487 PolarHBondContact O-ND2 2.82Å; L484-N487 PolarHBondContact O-N 3.46Å; N487-A489 VanDerWaalsContact C-N 3.32Å; N487-A489 PolarHBondContact O-N 3.2Å; N487-M490 PolarHBondContact O-N 3.41Å; N487-I491 HydrophobicContact CB-CD1 4.43Å; N487-I491 VanDerWaalsContact O-CB 3.28Å; N487-I491 WeakPolarHBondContact O-CB 3.44Å; N487-I491 WeakPolarHBondContact O-CD1 3.28Å; N487-I491 WeakPolarHBondContact O-CG1 3.12Å; N487-I491 PolarHBondContact O-N 3.47Å; N487-C905 HydrophobicContact CB-CB 4.47Å; N487-C905 VanDerWaalsContact CB-SG 3.53Å
488	F	98.9	Very high	98	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59.1	-43.5	175.7	-67.9	-7.2	0	0	0	111.8	L484 L485 G492 L493 V500 F543 A572 L908	L484-F488 HydrophobicContact CB-CE2 4.43Å; L484-F488 HydrophobicContact CB-CZ 4.31Å; L484-F488 HydrophobicContact CD2-CE1 3.96Å; L484-F488 HydrophobicContact CD2-CZ 3.98Å; L484-F488 WeakPolarHBondContact O-CB 3.39Å; L484-F488 WeakPolarHBondContact O-CD1 3.46Å; L484-F488 WeakPolarHBondContact O-CG 3.33Å; L484-F488 PolarHBondContact O-N 3.13Å; L485-F488 HydrophobicContact CD2-CD2 4.5Å; F488-G492 PolarHBondContact O-N 3.5Å; F488-L493 HydrophobicContact CB-CB 4.12Å; F488-L493 HydrophobicContact CB-CD2 4.07Å; F488-L493 HydrophobicContact CD1-CD2 3.73Å; F488-L493 HydrophobicContact CD2-CD2 3.81Å; F488-L493 HydrophobicContact CE1-CD2 4.08Å; F488-L493 HydrophobicContact CE2-CD2 4.13Å; F488-L493 HydrophobicContact CG-CB 4.5Å; F488-L493 HydrophobicContact CG-CD2 3.59Å; F488-L493 HydrophobicContact CZ-CD2 4.26Å; F488-L493 PolarHBondContact O-N 2.9Å; F488-V500 HydrophobicContact CD2-CG1 4.3Å; F488-V500 HydrophobicContact CD2-CG2 4.18Å; F488-F543 HydrophobicContact CB-CE2 3.87Å; F488-F543 HydrophobicContact CB-CZ 3.81Å; F488-A572 HydrophobicContact CZ-CB 4.11Å; F488-L908 HydrophobicContact CD1-CD2 4.06Å; F488-L908 HydrophobicContact CE1-CD2 3.75Å
489	A	98.8	Very high	98	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.8	-41.2	175.7	0	0	0	0	0	112.2	L485 K486 N487 G492 V536 N540 F543	L485-A489 WeakPolarHBondContact O-CB 3.02Å; L485-A489 PolarHBondContact O-N 2.77Å; K486-A489 PolarHBondContact O-N 2.85Å; N487-A489 VanDerWaalsContact C-N 3.32Å; N487-A489 PolarHBondContact O-N 3.2Å; A489-G492 PolarHBondContact O-N 2.87Å; A489-V536 HydrophobicContact CB-CB 4.29Å; A489-N540 HydrophobicContact CB-CB 4.08Å; A489-N540 PolarHBondContact O-ND2 2.92Å; A489-F543 HydrophobicContact CB-CD1 4.16Å; A489-F543 HydrophobicContact CB-CG 4.2Å
490	M	98.8	Very high	98.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-73.4	-38.9	179	-65.6	-53.4	91.4	0	0	112.8	F116 K486 N487 G492 M539 N540	F116-M490 HydrophobicContact CB-CE 4.33Å; F116-M490 HydrophobicContact CB-CG 4.24Å; F116-M490 HydrophobicContact CB-SD 3.88Å; K486-M490 HydrophobicContact CD-CG 4.49Å; K486-M490 WeakPolarHBondContact O-CG 3.46Å; K486-M490 PolarHBondContact O-N 2.62Å; N487-M490 PolarHBondContact O-N 3.41Å; M490-G492 PolarHBondContact O-N 2.89Å; M490-M539 HydrophobicContact CE-CB 3.77Å; M490-N540 HydrophobicContact CE-CB 4.38Å
491	I	98.8	Very high	98.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.7	-27.3	173.5	-70.5	168.4	0	0	0	111.1	P396 Q455 Q464 L467 N487 L493 C905 L908 F909	P396-I491 HydrophobicContact CG-CD1 3.91Å; P396-I491 HydrophobicContact CG-CG1 4.32Å; Q455-I491 PolarHBondContact NE2-O 2.76Å; Q464-I491 PolarHBondContact NE2-O 3.06Å; L467-I491 HydrophobicContact CD1-CG2 4.11Å; L467-I491 HydrophobicContact CD2-CG2 3.76Å; L467-I491 HydrophobicContact CG-CG2 4.41Å; N487-I491 HydrophobicContact CB-CD1 4.43Å; N487-I491 VanDerWaalsContact O-CB 3.28Å; N487-I491 WeakPolarHBondContact O-CB 3.44Å; N487-I491 WeakPolarHBondContact O-CD1 3.28Å; N487-I491 WeakPolarHBondContact O-CG1 3.12Å; N487-I491 PolarHBondContact O-N 3.47Å; I491-L493 HydrophobicContact CG2-CB 4.47Å; I491-C905 HydrophobicContact CD1-CB 4.02Å; I491-L908 HydrophobicContact CD1-CD2 4.25Å; I491-F909 HydrophobicContact CD1-CE1 4.49Å; I491-F909 HydrophobicContact CD1-CZ 4.18Å; I491-F909 HydrophobicContact CG1-CE1 4.4Å; I491-F909 HydrophobicContact CG1-CZ 4.06Å; I491-F909 HydrophobicContact CG2-CE1 3.97Å; I491-F909 HydrophobicContact CG2-CZ 4.45Å
492	G	98.4	Very high	98.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	25.1	-172.9	0	0	0	0	0	112.7	Y452 A468 F488 A489 M490 A494 S495	Y452-G492 VanDerWaalsContact CE1-CA 3.47Å; A468-G492 WeakPolarHBondContact CA-O 3.38Å; F488-G492 PolarHBondContact O-N 3.5Å; A489-G492 PolarHBondContact O-N 2.87Å; M490-G492 PolarHBondContact O-N 2.89Å; G492-A494 PolarHBondContact O-N 3.03Å; G492-S495 WeakPolarHBondContact O-CB 3.27Å; G492-S495 PolarHBondContact O-N 3.19Å; G492-S495 PolarHBondContact O-OG 3.05Å
493	L	98.3	Very high	98.1	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	132.3	171.9	-170.6	75.8	0	0	0	108.6	L467 Q470 Y472 F488 I491 S495 V500 F543 L908 I912	L467-L493 HydrophobicContact CD2-CD1 4.31Å; L467-L493 WeakPolarHBondContact O-CA 3.35Å; Q470-L493 HydrophobicContact CB-CD1 3.46Å; Q470-L493 VanDerWaalsContact CB-CD1 3.46Å; Q470-L493 HydrophobicContact CB-CG 4.19Å; Q470-L493 HydrophobicContact CG-CD1 3.64Å; Y472-L493 HydrophobicContact CD2-CD1 4.23Å; Y472-L493 HydrophobicContact CD2-CD2 4.15Å; Y472-L493 HydrophobicContact CE2-CD1 4.34Å; Y472-L493 HydrophobicContact CG-CD2 4.12Å; F488-L493 HydrophobicContact CB-CB 4.12Å; F488-L493 HydrophobicContact CB-CD2 4.07Å; F488-L493 HydrophobicContact CD1-CD2 3.73Å; F488-L493 HydrophobicContact CD2-CD2 3.81Å; F488-L493 HydrophobicContact CE1-CD2 4.08Å; F488-L493 HydrophobicContact CE2-CD2 4.13Å; F488-L493 HydrophobicContact CG-CB 4.5Å; F488-L493 HydrophobicContact CG-CD2 3.59Å; F488-L493 HydrophobicContact CZ-CD2 4.26Å; F488-L493 PolarHBondContact O-N 2.9Å; I491-L493 HydrophobicContact CG2-CB 4.47Å; L493-S495 VanDerWaalsContact C-N 3.28Å; L493-S495 PolarHBondContact O-N 2.82Å; L493-V500 HydrophobicContact CD2-CG2 3.99Å; L493-V500 HydrophobicContact CG-CG2 4.47Å; L493-F543 WeakPolarHBondContact O-CD2 3.21Å; L493-F543 WeakPolarHBondContact O-CE2 3.24Å; L493-L908 HydrophobicContact CD1-CD2 4.5Å; L493-L908 HydrophobicContact CD2-CD2 4.44Å; L493-I912 HydrophobicContact CD1-CD1 3.72Å
494	A	98	Very high	98	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	36.6	-179.7	0	0	0	0	0	114.5	L467 A468 Q470 G492 V500 F543 K544	L467-A494 PolarHBondContact O-N 2.94Å; A468-A494 CarbonylContact O-C 3.59Å; A468-A494 WeakPolarHBondContact O-CA 3.35Å; Q470-A494 WeakPolarHBondContact O-CB 3.08Å; G492-A494 PolarHBondContact O-N 3.03Å; A494-V500 HydrophobicContact CB-CG2 3.92Å; A494-F543 HydrophobicContact CB-CE2 4.49Å; A494-K544 WeakPolarHBondContact O-CB 3.47Å; A494-K544 PolarHBondContact O-N 3.47Å
495	S	96.4	Very high	97.8	Very high	12 Å²	12	20.1 Å²	20.1	8%	0.084	10%	0.099	C	C	.	.	S	Bend	trans	-91	-8.4	177.7	59.4	0	0	0	0	114.6	Y452 A468 G492 L493 S542	Y452-S495 WeakPolarHBondContact OH-CB 3.43Å; Y452-S495 PolarHBondContact OH-OG 3.37Å; A468-S495 WeakPolarHBondContact CB-OG 3.03Å; A468-S495 PolarHBondContact O-N 2.94Å; A468-S495 VanDerWaalsContact O-N 3.12Å; G492-S495 WeakPolarHBondContact O-CB 3.27Å; G492-S495 PolarHBondContact O-N 3.19Å; G492-S495 PolarHBondContact O-OG 3.05Å; L493-S495 VanDerWaalsContact C-N 3.28Å; L493-S495 PolarHBondContact O-N 2.82Å; S495-S542 CarbonylContact C-O 3.58Å; S495-S542 VanDerWaalsContact CA-O 3.31Å; S495-S542 WeakPolarHBondContact CA-O 3.46Å
496	E	94.7	Very high	97.6	Very high	91 Å²	91	22.5 Å²	22.5	43%	0.425	11%	0.112	S	C	.	.	S	Bend	trans	-127.2	-109.9	174.9	-69.9	-173.5	-144.4	0	0	110.5	K465 A468 G498 K544	K465-E496 WeakPolarHBondContact CE-OE2 3.46Å; K465-E496 IonicContact NZ-OE2 2.78Å; K465-E496 PolarHBondContact NZ-OE2 3.3Å; A468-E496 HydrophobicContact CB-CB 3.84Å; A468-E496 HydrophobicContact CB-CG 3.93Å; A468-E496 PolarHBondContact O-N 3.1Å; E496-G498 PolarHBondContact O-N 2.88Å; E496-K544 WeakPolarHBondContact O-CD 3.45Å; E496-K544 WeakPolarHBondContact O-CE 3.43Å; E496-K544 PolarHBondContact O-NZ 3.17Å
497	E	93.8	Very high	97.4	Very high	154 Å²	154	25.5 Å²	25.5	72%	0.72	13%	0.13	S	C	*	.	S	Bend	trans	-78	-4.4	-172.7	-62.8	-56.6	134.2	0	0	114	D469	D469-E497 PolarHBondContact OD1-N 2.99Å; D469-E497 VanDerWaalsContact OD1-N 3.11Å
498	G	96.2	Very high	97.3	Very high	6 Å²	6	25.6 Å²	25.6	6%	0.062	13%	0.13	C	C	.	.			trans	-80.7	179.7	-179.7	0	0	0	0	0	115.3	A468 Q470 E496 K544	A468-G498 PolarHBondContact O-N 3.16Å; Q470-G498 CarbonylContact O-C 3.55Å; Q470-G498 WeakPolarHBondContact O-CA 3.41Å; E496-G498 PolarHBondContact O-N 2.88Å; G498-K544 WeakPolarHBondContact O-CD 3.43Å
499	E	98.4	Very high	97	Very high	47 Å²	47	27.8 Å²	27.8	22%	0.22	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	132.7	174.7	-179.1	-177.8	-144.1	0	0	111.4	Q470 R471 Y472 I501 T546	Q470-E499 PolarHBondContact O-N 2.85Å; Q470-E499 VanDerWaalsContact O-N 3.1Å; R471-E499 CarbonylContact C-O 3.59Å; R471-E499 WeakPolarHBondContact CA-O 3.36Å; R471-E499 HydrophobicContact CG-CB 4.25Å; R471-E499 WeakPolarHBondContact CG-O 3.37Å; R471-E499 IonicContact CZ-OE2 3.9Å; R471-E499 IonicContact NE-OE2 3.68Å; R471-E499 PolarHBondContact NE-OE2 3.07Å; R471-E499 IonicContact NH2-OE2 2.64Å; R471-E499 PolarHBondContact NH2-OE2 3.43Å; Y472-E499 PolarHBondContact N-O 2.85Å; E499-I501 HydrophobicContact CB-CD1 4.45Å; E499-I501 HydrophobicContact CG-CD1 3.94Å; E499-I501 HydrophobicContact CG-CG1 4.15Å; E499-T546 VanDerWaalsContact OE1-CB 3.32Å; E499-T546 WeakPolarHBondContact OE1-CB 3.37Å; E499-T546 PolarHBondContact OE1-OG1 2.87Å
500	V	98.9	Very high	96.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	125.6	163.3	174.2	0	0	0	0	109.5	Y472 L474 L485 F488 L493 A494 F543 K544 I545 T546	Y472-V500 WeakPolarHBondContact O-CA 3.45Å; L474-V500 HydrophobicContact CB-CG1 4.5Å; L485-V500 HydrophobicContact CD2-CG1 4.12Å; F488-V500 HydrophobicContact CD2-CG1 4.3Å; F488-V500 HydrophobicContact CD2-CG2 4.18Å; L493-V500 HydrophobicContact CD2-CG2 3.99Å; L493-V500 HydrophobicContact CG-CG2 4.47Å; A494-V500 HydrophobicContact CB-CG2 3.92Å; V500-F543 HydrophobicContact CB-CE2 4.2Å; V500-F543 HydrophobicContact CB-CZ 3.83Å; V500-F543 HydrophobicContact CG1-CZ 4.23Å; V500-F543 HydrophobicContact CG2-CE2 3.66Å; V500-F543 HydrophobicContact CG2-CZ 3.68Å; V500-K544 PolarHBondContact N-O 3.37Å; V500-I545 HydrophobicContact CB-CG1 4.45Å; V500-I545 HydrophobicContact CG1-CD1 4.29Å; V500-I545 HydrophobicContact CG1-CG1 4.39Å; V500-I545 CarbonylContact O-C 3.6Å; V500-I545 WeakPolarHBondContact O-CA 3.32Å; V500-I545 WeakPolarHBondContact O-CG1 3.46Å; V500-T546 PolarHBondContact O-N 3.24Å
501	I	98.9	Very high	96.5	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.015	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	120.9	170.6	-56.8	90.5	0	0	0	107.2	R471 Y472 F473 L474 E499 T546 F564 L568	R471-I501 HydrophobicContact CG-CD1 4.13Å; Y472-I501 PolarHBondContact O-N 3.49Å; F473-I501 HydrophobicContact CD2-CB 4.05Å; F473-I501 HydrophobicContact CD2-CG2 4.05Å; F473-I501 WeakPolarHBondContact CD2-O 3.39Å; F473-I501 HydrophobicContact CE2-CG2 4.18Å; L474-I501 PolarHBondContact N-O 2.85Å; E499-I501 HydrophobicContact CB-CD1 4.45Å; E499-I501 HydrophobicContact CG-CD1 3.94Å; E499-I501 HydrophobicContact CG-CG1 4.15Å; I501-T546 WeakPolarHBondContact CA-O 3.46Å; I501-F564 HydrophobicContact CB-CE2 4.37Å; I501-F564 HydrophobicContact CB-CZ 4.38Å; I501-F564 HydrophobicContact CD1-CE2 4.32Å; I501-F564 HydrophobicContact CG1-CE2 4.16Å; I501-F564 HydrophobicContact CG2-CE2 4.2Å; I501-F564 HydrophobicContact CG2-CZ 4.29Å; I501-L568 HydrophobicContact CD1-CD2 4.25Å
502	V	98.9	Very high	96.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	137.6	173.7	61.3	0	0	0	0	109.7	L474 A477 L485 I545 T546 A547 H548	L474-V502 HydrophobicContact CB-CB 4.38Å; L474-V502 HydrophobicContact CB-CG2 4.39Å; L474-V502 HydrophobicContact CD2-CB 4.35Å; L474-V502 HydrophobicContact CD2-CG2 3.89Å; L474-V502 HydrophobicContact CG-CG2 4.15Å; L474-V502 WeakPolarHBondContact O-CA 3.35Å; A477-V502 HydrophobicContact CB-CG2 4.05Å; L485-V502 HydrophobicContact CD1-CG2 4.32Å; V502-I545 HydrophobicContact CB-CD1 4.25Å; V502-I545 HydrophobicContact CG1-CD1 3.69Å; V502-I545 HydrophobicContact CG1-CG1 4Å; V502-T546 PolarHBondContact N-O 3.35Å; V502-A547 HydrophobicContact CG1-CB 4Å; V502-A547 CarbonylContact O-C 3.59Å; V502-A547 WeakPolarHBondContact O-CA 3.19Å; V502-H548 PolarHBondContact O-N 2.85Å
503	T	98.8	Very high	96.4	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.012	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	137	171.3	-165.7	0	0	0	0	112.5	F473 L474 V475 G476 H548 N550 V552 Y560	F473-T503 HydrophobicContact CE2-CG2 3.57Å; F473-T503 HydrophobicContact CZ-CG2 3.57Å; L474-T503 PolarHBondContact O-N 2.96Å; L474-T503 VanDerWaalsContact O-N 3.07Å; V475-T503 HydrophobicContact CG1-CG2 4.35Å; G476-T503 WeakPolarHBondContact CA-O 3.5Å; G476-T503 PolarHBondContact N-O 2.94Å; T503-H548 WeakPolarHBondContact CA-O 3.03Å; T503-H548 WeakPolarHBondContact OG1-CB 3.47Å; T503-N550 PolarHBondContact OG1-N 2.61Å; T503-N550 VanDerWaalsContact OG1-N 3.1Å; T503-N550 PolarHBondContact OG1-O 3.36Å; T503-V552 HydrophobicContact CG2-CG2 3.34Å; T503-Y560 VanDerWaalsContact CB-OH 3.23Å; T503-Y560 WeakPolarHBondContact CB-OH 3.4Å; T503-Y560 PolarHBondContact OG1-OH 2.65Å
504	D	98	Very high	96.3	Very high	17 Å²	17	33.6 Å²	33.6	9%	0.091	17%	0.167	C	C	.	.			trans	-156	135.1	172.4	-162.2	-44.9	0	0	0	108.6	A477 D506 K528 H548 Q549	A477-D504 WeakPolarHBondContact CA-OD2 3.49Å; A477-D504 HydrophobicContact CB-CB 3.63Å; A477-D504 PolarHBondContact N-OD2 3.46Å; D504-D506 VanDerWaalsContact OD1-CB 3.31Å; D504-D506 WeakPolarHBondContact OD1-CB 3.15Å; D504-D506 PolarHBondContact OD1-N 3.22Å; D504-K528 HydrophobicContact CB-CB 4.35Å; D504-H548 PolarHBondContact N-O 3.05Å; D504-Q549 VanDerWaalsContact O-CA 3.29Å; D504-Q549 WeakPolarHBondContact O-CA 3.41Å
505	M	94.2	Very high	96.3	Very high	90 Å²	90	34.7 Å²	34.7	44%	0.443	17%	0.172	S	C	.	.			trans	-89.9	-10	-178.7	73	-144.5	-175.6	0	0	113	M527 R551	M505-M527 VanDerWaalsContact O-CE 3.32Å; M505-M527 WeakPolarHBondContact O-CE 3.5Å; M505-R551 HydrophobicContact CB-CB 4.36Å; M505-R551 HydrophobicContact CE-CG 4.44Å; M505-R551 HydrophobicContact SD-CB 3.36Å; M505-R551 WeakPolarHBondContact SD-CB 3.43Å; M505-R551 VanDerWaalsContact SD-CD 3.59Å; M505-R551 HydrophobicContact SD-CG 3.36Å; M505-R551 WeakPolarHBondContact SD-CG 3.45Å
506	D	94.3	Very high	96.4	Very high	51 Å²	51	34.4 Å²	34.4	27%	0.273	17%	0.169	S	C	.	.	P	Polyproline II helix	trans	-88.1	151.1	-172.1	-65.4	-9.6	0	0	0	112	D504 K528	D504-D506 VanDerWaalsContact OD1-CB 3.31Å; D504-D506 WeakPolarHBondContact OD1-CB 3.15Å; D504-D506 PolarHBondContact OD1-N 3.22Å; D506-K528 HydrophobicContact CB-CD 3.88Å; D506-K528 PolarHBondContact O-N 2.83Å; D506-K528 VanDerWaalsContact O-N 3.08Å; D506-K528 IonicContact OD2-NZ 3.71Å; D506-K528 PolarHBondContact OD2-NZ 2.76Å
507	T	95.1	Very high	96.6	Very high	62 Å²	62	30.1 Å²	30.1	38%	0.38	15%	0.149	S	C	.	.	B	Isolated β-bridge	trans	-88	159.5	165.4	53.9	0	0	0	0	111.5	T525 K526 M527 K528	T507-T525 WeakPolarHBondContact CG2-O 3.44Å; T507-K526 CarbonylContact C-O 3.55Å; T507-K526 VanDerWaalsContact CA-O 3.22Å; T507-K526 WeakPolarHBondContact CA-O 3.4Å; T507-M527 HydrophobicContact CG2-SD 3.71Å; T507-K528 WeakPolarHBondContact O-CE 3.44Å
508	I	96.7	Very high	96.8	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.01	12%	0.116	C	C	.	.	P	Polyproline II helix	trans	-75.5	129.8	177.3	-62.1	161.8	0	0	0	110	L513 F519 D523 V524 T525 K526 K528 T531	I508-L513 HydrophobicContact CG2-CD2 4.11Å; I508-F519 HydrophobicContact CD1-CB 4.15Å; I508-F519 HydrophobicContact CD1-CD1 3.52Å; I508-F519 HydrophobicContact CD1-CD2 4.04Å; I508-F519 HydrophobicContact CD1-CE1 3.88Å; I508-F519 HydrophobicContact CD1-CE2 4.36Å; I508-F519 HydrophobicContact CD1-CG 3.62Å; I508-F519 HydrophobicContact CD1-CZ 4.31Å; I508-F519 HydrophobicContact CG1-CD1 4.19Å; I508-F519 HydrophobicContact CG1-CD2 3.83Å; I508-F519 HydrophobicContact CG1-CE1 4.34Å; I508-F519 HydrophobicContact CG1-CE2 3.99Å; I508-F519 HydrophobicContact CG1-CG 3.95Å; I508-F519 HydrophobicContact CG1-CZ 4.26Å; I508-F519 HydrophobicContact CG2-CB 4.12Å; I508-F519 HydrophobicContact CG2-CD2 4.09Å; I508-F519 HydrophobicContact CG2-CG 4.22Å; I508-D523 HydrophobicContact CD1-CB 3.75Å; I508-V524 WeakPolarHBondContact O-CA 3.4Å; I508-T525 PolarHBondContact O-N 2.93Å; I508-K526 HydrophobicContact CD1-CB 4.41Å; I508-K526 WeakPolarHBondContact CG1-O 3.26Å; I508-K526 PolarHBondContact N-O 2.83Å; I508-K528 HydrophobicContact CG1-CB 4.45Å; I508-K528 HydrophobicContact CG1-CG 3.76Å; I508-T531 HydrophobicContact CD1-CG2 3.83Å
509	E	92.4	Very high	96.9	Very high	47 Å²	47	23.1 Å²	23.1	22%	0.22	11%	0.114	C	C	.	.			trans	-109.3	161.6	173.2	-62.9	166.2	-164.1	0	0	111.9	S511 N512	E509-S511 VanDerWaalsContact C-N 3.29Å; E509-S511 PolarHBondContact O-N 2.91Å; E509-S511 PolarHBondContact OE2-OG 2.91Å; E509-N512 PolarHBondContact N-OD1 2.64Å; E509-N512 VanDerWaalsContact O-CB 3.22Å; E509-N512 WeakPolarHBondContact O-CB 3.43Å; E509-N512 PolarHBondContact O-N 2.98Å
510	K	94.3	Very high	96.9	Very high	97 Å²	97	22.9 Å²	22.9	42%	0.422	11%	0.112	S	C	.	.	G	3₁₀ helix	trans	-56.6	-42.3	176.3	-170.2	-175.5	-178.4	-165.4	0	112.5	D51 N512 L513	D51-K510 IonicContact OD1-NZ 3.39Å; D51-K510 PolarHBondContact OD1-NZ 2.66Å; D51-K510 WeakPolarHBondContact OD2-CE 3.28Å; D51-K510 IonicContact OD2-NZ 3.65Å; D51-K510 PolarHBondContact OD2-NZ 2.72Å; K510-N512 PolarHBondContact O-N 2.86Å; K510-N512 VanDerWaalsContact O-N 3.12Å; K510-L513 WeakPolarHBondContact O-CG 3.36Å; K510-L513 PolarHBondContact O-N 2.77Å
511	S	93.3	Very high	96.8	Very high	4 Å²	4	26.4 Å²	26.4	3%	0.028	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-64.1	-16.3	-179.7	78.8	0	0	0	0	113.7	G53 E509 R515	G53-S511 WeakPolarHBondContact O-CA 3.33Å; G53-S511 PolarHBondContact O-N 3.25Å; E509-S511 VanDerWaalsContact C-N 3.29Å; E509-S511 PolarHBondContact O-N 2.91Å; E509-S511 PolarHBondContact OE2-OG 2.91Å; S511-R515 PolarHBondContact O-NH1 3.44Å
512	N	96.4	Very high	96.8	Very high	6 Å²	6	30.6 Å²	30.6	3%	0.032	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-78.3	-33.7	-178.8	-64.1	174.6	0	0	0	111.5	E509 K510 N514 R515 Q516 K528	E509-N512 PolarHBondContact N-OD1 2.64Å; E509-N512 VanDerWaalsContact O-CB 3.22Å; E509-N512 WeakPolarHBondContact O-CB 3.43Å; E509-N512 PolarHBondContact O-N 2.98Å; K510-N512 PolarHBondContact O-N 2.86Å; K510-N512 VanDerWaalsContact O-N 3.12Å; N512-N514 PolarHBondContact O-N 3.22Å; N512-N514 VanDerWaalsContact O-N 3.11Å; N512-R515 PolarHBondContact O-N 3.34Å; N512-Q516 HydrophobicContact CB-CB 4.47Å; N512-Q516 HydrophobicContact CB-CG 4.43Å; N512-Q516 WeakPolarHBondContact O-CB 3.27Å; N512-Q516 PolarHBondContact O-N 3.21Å; N512-K528 VanDerWaalsContact OD1-CE 3.26Å; N512-K528 WeakPolarHBondContact OD1-CE 3.43Å
513	L	98	Very high	96.7	Very high	13 Å²	13	31.5 Å²	31.5	7%	0.068	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-28	-171	-56.5	178.4	0	0	0	113.4	L54 L93 I508 K510 R515 F519 P521 V524	L54-L513 HydrophobicContact CD1-CB 3.84Å; L93-L513 WeakPolarHBondContact CD2-O 3.36Å; I508-L513 HydrophobicContact CG2-CD2 4.11Å; K510-L513 WeakPolarHBondContact O-CG 3.36Å; K510-L513 PolarHBondContact O-N 2.77Å; L513-R515 PolarHBondContact O-N 3.41Å; L513-F519 HydrophobicContact CD2-CB 3.66Å; L513-P521 HydrophobicContact CD1-CB 4.28Å; L513-P521 HydrophobicContact CD1-CG 4.02Å; L513-V524 HydrophobicContact CD1-CG2 4.41Å
514	N	97.6	Very high	96.5	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.011	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-19.3	177.6	166	-102.6	0	0	0	114.1	L54 Y55 Q58 L93 N512	L54-N514 HydrophobicContact CD1-CB 4.25Å; L54-N514 WeakPolarHBondContact O-CB 3.4Å; Y55-N514 WeakPolarHBondContact CD1-ND2 3.19Å; Q58-N514 PolarHBondContact OE1-ND2 2.77Å; L93-N514 WeakPolarHBondContact CB-O 3.49Å; L93-N514 PolarHBondContact O-ND2 3.31Å; N512-N514 PolarHBondContact O-N 3.22Å; N512-N514 VanDerWaalsContact O-N 3.11Å
515	R	97.6	Very high	96.3	Very high	23 Å²	23	38.3 Å²	38.3	9%	0.087	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.4	-8.6	-180	67.2	-170.5	174.9	-66.8	-6.7	115.1	R57 A479 S511 N512 L513 A894	R57-R515 VanDerWaalsContact CG-NH1 3.3Å; A479-R515 HydrophobicContact CB-CB 4.42Å; A479-R515 HydrophobicContact CB-CG 3.81Å; S511-R515 PolarHBondContact O-NH1 3.44Å; N512-R515 PolarHBondContact O-N 3.34Å; L513-R515 PolarHBondContact O-N 3.41Å; R515-A894 HydrophobicContact CB-CB 4.17Å
516	Q	98.3	Very high	96.5	Very high	6 Å²	6	38.7 Å²	38.7	3%	0.028	21%	0.21	C	C	.	.			trans	-106.9	69.9	178.6	-65.4	172	25.1	0	0	108.7	A479 N512 L518 F519	A479-Q516 HydrophobicContact CB-CG 4.27Å; N512-Q516 HydrophobicContact CB-CB 4.47Å; N512-Q516 HydrophobicContact CB-CG 4.43Å; N512-Q516 WeakPolarHBondContact O-CB 3.27Å; N512-Q516 PolarHBondContact O-N 3.21Å; Q516-L518 PolarHBondContact O-N 3.4Å; Q516-F519 HydrophobicContact CB-CD2 3.49Å; Q516-F519 VanDerWaalsContact CB-CD2 3.49Å; Q516-F519 HydrophobicContact CB-CE2 3.68Å; Q516-F519 HydrophobicContact CG-CD2 4.49Å; Q516-F519 HydrophobicContact CG-CE2 4.31Å; Q516-F519 PolarHBondContact O-N 3.32Å
517	F	98.6	Very high	96.6	Very high	1 Å²	1	38 Å²	38	0%	0.004	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-10.3	-164.9	85.3	-83.7	0	0	0	115	K89 L93 F116 L138 E483 K486 F519 R520 M539	K89-F517 HydrophobicContact CD-CB 4.26Å; K89-F517 HydrophobicContact CD-CD1 3.88Å; K89-F517 HydrophobicContact CD-CD2 3.82Å; K89-F517 HydrophobicContact CD-CE1 4.15Å; K89-F517 HydrophobicContact CD-CE2 4.08Å; K89-F517 HydrophobicContact CD-CG 3.71Å; K89-F517 HydrophobicContact CD-CZ 4.25Å; K89-F517 HydrophobicContact CG-CB 4.35Å; K89-F517 HydrophobicContact CG-CD2 4.28Å; K89-F517 HydrophobicContact CG-CG 4.25Å; L93-F517 HydrophobicContact CD1-CB 3.76Å; F116-F517 HydrophobicContact CD2-CE2 4.07Å; F116-F517 AromaticContact CE2-CE2 3.99Å; F116-F517 HydrophobicContact CE2-CE2 3.99Å; L138-F517 HydrophobicContact CD2-CB 3.86Å; L138-F517 HydrophobicContact CD2-CD2 4.22Å; E483-F517 WeakPolarHBondContact OE1-CE1 3.46Å; K486-F517 HydrophobicContact CB-CE1 4.18Å; K486-F517 HydrophobicContact CB-CZ 3.79Å; K486-F517 HydrophobicContact CG-CZ 3.9Å; F517-F519 PolarHBondContact O-N 2.95Å; F517-R520 PolarHBondContact O-NH1 2.92Å; F517-M539 HydrophobicContact CE2-CE 3.7Å; F517-M539 HydrophobicContact CZ-CE 4.04Å
518	L	98.8	Very high	96.8	Very high	7 Å²	7	35.6 Å²	35.6	4%	0.037	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-14.3	173	-63.4	-175.8	0	0	0	112.7	C482 L485 Q516 A532 A535 V536 M539	C482-L518 HydrophobicContact CB-CB 4.47Å; C482-L518 HydrophobicContact CB-CD1 3.86Å; C482-L518 HydrophobicContact CB-CG 3.9Å; L485-L518 HydrophobicContact CB-CD1 4.31Å; Q516-L518 PolarHBondContact O-N 3.4Å; L518-A532 HydrophobicContact CD1-CB 3.91Å; L518-A535 HydrophobicContact CB-CB 4.04Å; L518-A535 HydrophobicContact CD2-CB 4.16Å; L518-V536 HydrophobicContact CD1-CG1 3.69Å; L518-V536 HydrophobicContact CD2-CG1 3.99Å; L518-M539 HydrophobicContact CD2-CE 3.32Å; L518-M539 HydrophobicContact CD2-SD 4.19Å
519	F	98.6	Very high	96.9	Very high	5 Å²	5	35.5 Å²	35.5	2%	0.022	19%	0.19	C	C	.	.			trans	-101.5	155.5	-177.4	-51.8	-35.1	0	0	0	111.7	I508 L513 Q516 F517 K528 T531 A532	I508-F519 HydrophobicContact CD1-CB 4.15Å; I508-F519 HydrophobicContact CD1-CD1 3.52Å; I508-F519 HydrophobicContact CD1-CD2 4.04Å; I508-F519 HydrophobicContact CD1-CE1 3.88Å; I508-F519 HydrophobicContact CD1-CE2 4.36Å; I508-F519 HydrophobicContact CD1-CG 3.62Å; I508-F519 HydrophobicContact CD1-CZ 4.31Å; I508-F519 HydrophobicContact CG1-CD1 4.19Å; I508-F519 HydrophobicContact CG1-CD2 3.83Å; I508-F519 HydrophobicContact CG1-CE1 4.34Å; I508-F519 HydrophobicContact CG1-CE2 3.99Å; I508-F519 HydrophobicContact CG1-CG 3.95Å; I508-F519 HydrophobicContact CG1-CZ 4.26Å; I508-F519 HydrophobicContact CG2-CB 4.12Å; I508-F519 HydrophobicContact CG2-CD2 4.09Å; I508-F519 HydrophobicContact CG2-CG 4.22Å; L513-F519 HydrophobicContact CD2-CB 3.66Å; Q516-F519 HydrophobicContact CB-CD2 3.49Å; Q516-F519 VanDerWaalsContact CB-CD2 3.49Å; Q516-F519 HydrophobicContact CB-CE2 3.68Å; Q516-F519 HydrophobicContact CG-CD2 4.49Å; Q516-F519 HydrophobicContact CG-CE2 4.31Å; Q516-F519 PolarHBondContact O-N 3.32Å; F517-F519 PolarHBondContact O-N 2.95Å; F519-K528 WeakPolarHBondContact CE1-O 3.48Å; F519-K528 HydrophobicContact CE2-CB 4.25Å; F519-K528 HydrophobicContact CE2-CG 4Å; F519-K528 HydrophobicContact CZ-CB 3.83Å; F519-K528 HydrophobicContact CZ-CG 4.09Å; F519-T531 HydrophobicContact CD1-CG2 3.7Å; F519-T531 HydrophobicContact CE1-CG2 4.13Å; F519-A532 HydrophobicContact CE1-CB 3.81Å; F519-A532 HydrophobicContact CZ-CB 4.12Å
520	R	98.2	Very high	97.2	Very high	43 Å²	43	36.3 Å²	36.3	16%	0.162	20%	0.195	C	C	.	.			trans	-121.3	163	174.3	-62.3	-67	177.7	-91.8	5.8	110.7	E137 F517 S522 D523	E137-R520 IonicContact OE2-CZ 2.61Å; E137-R520 IonicContact OE2-NE 3.59Å; E137-R520 PolarHBondContact OE2-NE 3.06Å; E137-R520 IonicContact OE2-NH2 3.74Å; E137-R520 PolarHBondContact OE2-NH2 3.06Å; F517-R520 PolarHBondContact O-NH1 2.92Å; R520-S522 PolarHBondContact O-N 2.73Å; R520-S522 VanDerWaalsContact O-N 3.1Å; R520-D523 WeakPolarHBondContact CB-OD2 3.33Å; R520-D523 PolarHBondContact N-OD2 2.99Å; R520-D523 WeakPolarHBondContact O-CB 2.95Å; R520-D523 PolarHBondContact O-N 3.19Å
521	P	96.6	Very high	97.4	Very high	73 Å²	73	32.5 Å²	32.5	47%	0.474	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-52.2	-31.7	172.6	-27.8	35.2	0	0	0	114.1	L513 D523 V524	L513-P521 HydrophobicContact CD1-CB 4.28Å; L513-P521 HydrophobicContact CD1-CG 4.02Å; P521-D523 PolarHBondContact O-N 2.97Å; P521-V524 WeakPolarHBondContact O-CG2 3.01Å
522	S	97.4	Very high	97.7	Very high	91 Å²	91	32.3 Å²	32.3	64%	0.636	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-71.3	-8.2	175.8	54	0	0	0	0	114.9	R520 K526	R520-S522 PolarHBondContact O-N 2.73Å; R520-S522 VanDerWaalsContact O-N 3.1Å; S522-K526 WeakPolarHBondContact O-CE 3.36Å; S522-K526 PolarHBondContact O-NZ 2.83Å
523	D	97.8	Very high	97.8	Very high	19 Å²	19	32.4 Å²	32.4	10%	0.102	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-100.7	-4.5	-178.2	-56.6	-40.8	0	0	0	113.4	I508 R520 P521 T525 K526 T531	I508-D523 HydrophobicContact CD1-CB 3.75Å; R520-D523 WeakPolarHBondContact CB-OD2 3.33Å; R520-D523 PolarHBondContact N-OD2 2.99Å; R520-D523 WeakPolarHBondContact O-CB 2.95Å; R520-D523 PolarHBondContact O-N 3.19Å; P521-D523 PolarHBondContact O-N 2.97Å; D523-T525 PolarHBondContact O-N 2.82Å; D523-K526 HydrophobicContact CB-CD 4.17Å; D523-K526 VanDerWaalsContact O-CB 3.22Å; D523-K526 WeakPolarHBondContact O-CB 3.4Å; D523-K526 WeakPolarHBondContact O-CG 3.21Å; D523-K526 PolarHBondContact O-N 3.33Å; D523-K526 IonicContact OD1-NZ 3.65Å; D523-K526 PolarHBondContact OD1-NZ 2.87Å; D523-T531 HydrophobicContact CB-CG2 3.92Å
524	V	95	Very high	97.8	Very high	50 Å²	50	34.4 Å²	34.4	30%	0.303	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	137.6	174.8	176.6	0	0	0	0	109.5	I508 L513 P521 K526	I508-V524 WeakPolarHBondContact O-CA 3.4Å; L513-V524 HydrophobicContact CD1-CG2 4.41Å; P521-V524 WeakPolarHBondContact O-CG2 3.01Å; V524-K526 VanDerWaalsContact C-N 3.29Å; V524-K526 PolarHBondContact O-N 2.89Å
525	T	93.1	Very high	97.9	Very high	112 Å²	112	35.1 Å²	35.1	69%	0.687	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.7	-9.7	-170.6	76	0	0	0	0	117	T507 I508 D523	T507-T525 WeakPolarHBondContact CG2-O 3.44Å; I508-T525 PolarHBondContact O-N 2.93Å; D523-T525 PolarHBondContact O-N 2.82Å
526	K	97.6	Very high	97.9	Very high	99 Å²	99	34 Å²	34	43%	0.43	20%	0.201	S	C	.	.	S	Bend	trans	-78.6	161	171.1	-57.1	-179.8	-168.7	164.1	0	110.7	T507 I508 S522 D523 V524	T507-K526 CarbonylContact C-O 3.55Å; T507-K526 VanDerWaalsContact CA-O 3.22Å; T507-K526 WeakPolarHBondContact CA-O 3.4Å; I508-K526 HydrophobicContact CD1-CB 4.41Å; I508-K526 WeakPolarHBondContact CG1-O 3.26Å; I508-K526 PolarHBondContact N-O 2.83Å; S522-K526 WeakPolarHBondContact O-CE 3.36Å; S522-K526 PolarHBondContact O-NZ 2.83Å; D523-K526 HydrophobicContact CB-CD 4.17Å; D523-K526 VanDerWaalsContact O-CB 3.22Å; D523-K526 WeakPolarHBondContact O-CB 3.4Å; D523-K526 WeakPolarHBondContact O-CG 3.21Å; D523-K526 PolarHBondContact O-N 3.33Å; D523-K526 IonicContact OD1-NZ 3.65Å; D523-K526 PolarHBondContact OD1-NZ 2.87Å; V524-K526 VanDerWaalsContact C-N 3.29Å; V524-K526 PolarHBondContact O-N 2.89Å
527	M	98	Very high	97.9	Very high	36 Å²	36	38.4 Å²	38.4	18%	0.177	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-70.1	136.1	176.9	-61.5	-60.6	-62.3	0	0	111.1	M505 T507 D530 T531 Q549	M505-M527 VanDerWaalsContact O-CE 3.32Å; M505-M527 WeakPolarHBondContact O-CE 3.5Å; T507-M527 HydrophobicContact CG2-SD 3.71Å; M527-D530 HydrophobicContact CB-CB 4.43Å; M527-T531 WeakPolarHBondContact O-CB 3.18Å; M527-T531 PolarHBondContact O-N 3.28Å; M527-T531 PolarHBondContact O-OG1 2.9Å; M527-Q549 HydrophobicContact CB-CG 4.41Å; M527-Q549 HydrophobicContact CE-CB 3.83Å; M527-Q549 HydrophobicContact CE-CG 3.82Å; M527-Q549 HydrophobicContact CG-CG 4.15Å
528	K	98.6	Very high	97.9	Very high	12 Å²	12	44.6 Å²	44.6	5%	0.052	25%	0.249	C	C	.	.	H	α-helix	trans	-60.8	-48.8	-179	-70.1	179.9	-171.6	159.3	0	112	A477 D504 D506 T507 I508 N512 F519 T531 A532	A477-K528 HydrophobicContact CB-CB 3.84Å; D504-K528 HydrophobicContact CB-CB 4.35Å; D506-K528 HydrophobicContact CB-CD 3.88Å; D506-K528 PolarHBondContact O-N 2.83Å; D506-K528 VanDerWaalsContact O-N 3.08Å; D506-K528 IonicContact OD2-NZ 3.71Å; D506-K528 PolarHBondContact OD2-NZ 2.76Å; T507-K528 WeakPolarHBondContact O-CE 3.44Å; I508-K528 HydrophobicContact CG1-CB 4.45Å; I508-K528 HydrophobicContact CG1-CG 3.76Å; N512-K528 VanDerWaalsContact OD1-CE 3.26Å; N512-K528 WeakPolarHBondContact OD1-CE 3.43Å; F519-K528 WeakPolarHBondContact CE1-O 3.48Å; F519-K528 HydrophobicContact CE2-CB 4.25Å; F519-K528 HydrophobicContact CE2-CG 4Å; F519-K528 HydrophobicContact CZ-CB 3.83Å; F519-K528 HydrophobicContact CZ-CG 4.09Å; K528-T531 PolarHBondContact O-N 3.48Å; K528-A532 WeakPolarHBondContact O-CB 3.36Å; K528-A532 PolarHBondContact O-N 2.93Å
529	S	98.6	Very high	97.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.3	-48.2	-175.7	52.7	0	0	0	0	113	A532 A533 H548	S529-A532 PolarHBondContact O-N 3.05Å; S529-A533 WeakPolarHBondContact O-CB 3.41Å; S529-A533 PolarHBondContact O-N 2.73Å; S529-H548 VanDerWaalsContact CB-O 3.24Å; S529-H548 WeakPolarHBondContact CB-O 3.46Å; S529-H548 PolarHBondContact OG-O 2.69Å
530	D	98.7	Very high	97.8	Very high	64 Å²	64	44.4 Å²	44.4	34%	0.342	25%	0.248	S	C	.	.	H	α-helix	trans	-63.4	-45.2	179.2	-66	-33.3	0	0	0	111.9	M527 A533 A534 A547 Q549	M527-D530 HydrophobicContact CB-CB 4.43Å; D530-A533 PolarHBondContact O-N 3.09Å; D530-A534 PolarHBondContact O-N 3.11Å; D530-A547 VanDerWaalsContact OD1-CB 3.22Å; D530-A547 WeakPolarHBondContact OD1-CB 3.42Å; D530-Q549 PolarHBondContact OD2-NE2 2.83Å
531	T	98.8	Very high	97.8	Very high	17 Å²	17	47 Å²	47	10%	0.104	27%	0.27	C	S	.	.	H	α-helix	trans	-67.1	-42.4	-178.7	-51.2	0	0	0	0	110.6	I508 F519 D523 M527 K528 A534 A535	I508-T531 HydrophobicContact CD1-CG2 3.83Å; F519-T531 HydrophobicContact CD1-CG2 3.7Å; F519-T531 HydrophobicContact CE1-CG2 4.13Å; D523-T531 HydrophobicContact CB-CG2 3.92Å; M527-T531 WeakPolarHBondContact O-CB 3.18Å; M527-T531 PolarHBondContact O-N 3.28Å; M527-T531 PolarHBondContact O-OG1 2.9Å; K528-T531 PolarHBondContact O-N 3.48Å; T531-A534 PolarHBondContact O-N 3.27Å; T531-A535 PolarHBondContact O-N 2.98Å
532	A	98.8	Very high	97.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.3	-44.4	178	0	0	0	0	0	110.9	L485 L518 F519 K528 S529 A534 A535 V536	L485-A532 HydrophobicContact CD1-CB 3.68Å; L518-A532 HydrophobicContact CD1-CB 3.91Å; F519-A532 HydrophobicContact CE1-CB 3.81Å; F519-A532 HydrophobicContact CZ-CB 4.12Å; K528-A532 WeakPolarHBondContact O-CB 3.36Å; K528-A532 PolarHBondContact O-N 2.93Å; S529-A532 PolarHBondContact O-N 3.05Å; A532-A534 VanDerWaalsContact C-N 3.33Å; A532-A534 PolarHBondContact O-N 3.1Å; A532-A535 PolarHBondContact O-N 2.67Å; A532-V536 WeakPolarHBondContact O-CG2 3.35Å; A532-V536 PolarHBondContact O-N 2.86Å
533	A	98.8	Very high	97.9	Very high	7 Å²	7	42.1 Å²	42.1	6%	0.058	24%	0.238	C	C	.	.	H	α-helix	trans	-60.6	-40.5	176.5	0	0	0	0	0	112.5	S529 D530 K537 I545 A547	S529-A533 WeakPolarHBondContact O-CB 3.41Å; S529-A533 PolarHBondContact O-N 2.73Å; D530-A533 PolarHBondContact O-N 3.09Å; A533-K537 WeakPolarHBondContact O-CG 3.2Å; A533-K537 PolarHBondContact O-N 3.02Å; A533-I545 HydrophobicContact CB-CD1 3.9Å; A533-I545 HydrophobicContact CB-CG1 4.04Å; A533-I545 HydrophobicContact CB-CG2 3.97Å; A533-A547 HydrophobicContact CB-CB 4.01Å
534	A	98.7	Very high	97.9	Very high	55 Å²	55	45.7 Å²	45.7	46%	0.455	25%	0.252	S	S	.	.	H	α-helix	trans	-65.1	-42.3	175.1	0	0	0	0	0	112.2	D530 T531 A532	D530-A534 PolarHBondContact O-N 3.11Å; T531-A534 PolarHBondContact O-N 3.27Å; A532-A534 VanDerWaalsContact C-N 3.33Å; A532-A534 PolarHBondContact O-N 3.1Å
535	A	98.6	Very high	98.1	Very high	17 Å²	17	43.8 Å²	43.8	14%	0.14	24%	0.24	C	C	.	.	H	α-helix	trans	-64.1	-46.2	-179.8	0	0	0	0	0	112.4	L518 T531 A532 K537 Q538 M539	L518-A535 HydrophobicContact CB-CB 4.04Å; L518-A535 HydrophobicContact CD2-CB 4.16Å; T531-A535 PolarHBondContact O-N 2.98Å; A532-A535 PolarHBondContact O-N 2.67Å; A535-K537 PolarHBondContact O-N 3.11Å; A535-Q538 WeakPolarHBondContact O-CB 3.45Å; A535-Q538 PolarHBondContact O-N 3.3Å; A535-Q538 VanDerWaalsContact O-N 3.13Å; A535-M539 PolarHBondContact O-N 3.02Å
536	V	98.4	Very high	98.4	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-72.3	-26.2	-178.2	-62.5	0	0	0	0	113.8	L485 A489 L518 A532 Q538 M539 N540 F543 I545	L485-V536 HydrophobicContact CB-CG1 3.77Å; A489-V536 HydrophobicContact CB-CB 4.29Å; L518-V536 HydrophobicContact CD1-CG1 3.69Å; L518-V536 HydrophobicContact CD2-CG1 3.99Å; A532-V536 WeakPolarHBondContact O-CG2 3.35Å; A532-V536 PolarHBondContact O-N 2.86Å; V536-Q538 PolarHBondContact O-N 3.14Å; V536-M539 HydrophobicContact CG1-SD 4.18Å; V536-M539 WeakPolarHBondContact O-CA 3.45Å; V536-M539 WeakPolarHBondContact O-CB 3.3Å; V536-M539 PolarHBondContact O-N 3.44Å; V536-N540 PolarHBondContact O-N 3.47Å; V536-F543 HydrophobicContact CB-CD1 4.32Å; V536-F543 HydrophobicContact CB-CE1 4.43Å; V536-F543 HydrophobicContact CG2-CD1 3.72Å; V536-F543 HydrophobicContact CG2-CE1 3.67Å; V536-I545 HydrophobicContact CG2-CD1 4.34Å; V536-I545 HydrophobicContact CG2-CG2 4.37Å
537	K	98.2	Very high	98.4	Very high	99 Å²	99	37.6 Å²	37.6	43%	0.43	21%	0.213	S	C	.	.	H	α-helix	trans	-63	-28	169.6	-79.2	-178.4	-179.8	174.2	0	112.8	A533 A535 M539 N540 P541 I545	A533-K537 WeakPolarHBondContact O-CG 3.2Å; A533-K537 PolarHBondContact O-N 3.02Å; A535-K537 PolarHBondContact O-N 3.11Å; K537-M539 VanDerWaalsContact C-N 3.35Å; K537-N540 CarbonylContact O-C 3.58Å; K537-N540 VanDerWaalsContact O-C 3.27Å; K537-P541 WeakPolarHBondContact O-CA 3.49Å; K537-I545 HydrophobicContact CD-CG2 4.29Å; K537-I545 VanDerWaalsContact CE-CG2 3.42Å; K537-I545 HydrophobicContact CG-CG2 4.03Å; K537-I545 PolarHBondContact NZ-O 2.96Å
538	Q	97.8	Very high	98.4	Very high	130 Å²	130	38.1 Å²	38.1	61%	0.607	22%	0.215	S	C	*	.	H	α-helix	trans	-72.5	-32.9	171.6	-58.4	177.8	17.8	0	0	111.2	R119 A535 V536	R119-Q538 WeakPolarHBondContact CD-O 3.21Å; R119-Q538 PolarHBondContact NE-O 3Å; A535-Q538 WeakPolarHBondContact O-CB 3.45Å; A535-Q538 PolarHBondContact O-N 3.3Å; A535-Q538 VanDerWaalsContact O-N 3.13Å; V536-Q538 PolarHBondContact O-N 3.14Å
539	M	98.3	Very high	98.4	Very high	9 Å²	9	42.1 Å²	42.1	4%	0.044	23%	0.234	C	C	.	.	H	α-helix	trans	-70.5	-43.5	177.2	-55.6	179.4	173.4	0	0	112	F116 Y117 R451 K486 M490 F517 L518 A535 V536 K537	F116-M539 HydrophobicContact CB-SD 3.95Å; F116-M539 HydrophobicContact CD2-CE 4.43Å; F116-M539 WeakPolarHBondContact O-CG 2.9Å; Y117-M539 HydrophobicContact CE1-CE 4.48Å; R451-M539 PolarHBondContact NH1-O 3.04Å; R451-M539 PolarHBondContact NH2-O 3.5Å; K486-M539 HydrophobicContact CB-SD 4.42Å; K486-M539 HydrophobicContact CG-SD 4.33Å; M490-M539 HydrophobicContact CE-CB 3.77Å; F517-M539 HydrophobicContact CE2-CE 3.7Å; F517-M539 HydrophobicContact CZ-CE 4.04Å; L518-M539 HydrophobicContact CD2-CE 3.32Å; L518-M539 HydrophobicContact CD2-SD 4.19Å; A535-M539 PolarHBondContact O-N 3.02Å; V536-M539 HydrophobicContact CG1-SD 4.18Å; V536-M539 WeakPolarHBondContact O-CA 3.45Å; V536-M539 WeakPolarHBondContact O-CB 3.3Å; V536-M539 PolarHBondContact O-N 3.44Å; K537-M539 VanDerWaalsContact C-N 3.35Å
540	N	98.4	Very high	98.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.248	C	C	.	.			trans	-137.2	103.3	173.6	-171.8	-9.2	0	0	0	111.2	R451 Y452 A489 M490 V536 K537 S542 F543	R451-N540 VanDerWaalsContact CZ-CG 3.43Å; R451-N540 VanDerWaalsContact NH1-CA 3.31Å; R451-N540 VanDerWaalsContact NH1-CG 3.32Å; R451-N540 PolarHBondContact NH1-OD1 3.14Å; Y452-N540 PolarHBondContact OH-ND2 3.05Å; A489-N540 HydrophobicContact CB-CB 4.08Å; A489-N540 PolarHBondContact O-ND2 2.92Å; M490-N540 HydrophobicContact CE-CB 4.38Å; V536-N540 PolarHBondContact O-N 3.47Å; K537-N540 CarbonylContact O-C 3.58Å; K537-N540 VanDerWaalsContact O-C 3.27Å; N540-S542 PolarHBondContact O-N 3.35Å; N540-S542 WeakPolarHBondContact OD1-CB 3.32Å; N540-S542 PolarHBondContact OD1-N 3.45Å; N540-F543 HydrophobicContact CB-CB 4.05Å; N540-F543 VanDerWaalsContact O-CB 3.27Å; N540-F543 WeakPolarHBondContact O-CB 3.24Å; N540-F543 PolarHBondContact O-N 3.28Å
541	P	97.8	Very high	98.2	Very high	98 Å²	98	48.4 Å²	48.4	64%	0.636	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-25.8	178.9	-26.8	36.2	0	0	0	114.4	K537 F543	K537-P541 WeakPolarHBondContact O-CA 3.49Å; P541-F543 VanDerWaalsContact C-N 3.32Å
542	S	97.7	Very high	98.1	Very high	58 Å²	58	48.5 Å²	48.5	41%	0.406	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-15.7	178.4	-54.6	0	0	0	0	112.9	S495 N540 K544	S495-S542 CarbonylContact C-O 3.58Å; S495-S542 VanDerWaalsContact CA-O 3.31Å; S495-S542 WeakPolarHBondContact CA-O 3.46Å; N540-S542 PolarHBondContact O-N 3.35Å; N540-S542 WeakPolarHBondContact OD1-CB 3.32Å; N540-S542 PolarHBondContact OD1-N 3.45Å; S542-K544 PolarHBondContact O-N 3.11Å
543	F	97.9	Very high	97.9	Very high	3 Å²	3	48.7 Å²	48.7	1%	0.013	26%	0.26	C	S	.	.			trans	-67.9	113.7	-176.9	-176.1	-123.4	0	0	0	111.8	L485 F488 A489 L493 A494 V500 V536 N540 P541 I545	L485-F543 HydrophobicContact CD2-CE1 4.31Å; L485-F543 HydrophobicContact CD2-CZ 4.34Å; F488-F543 HydrophobicContact CB-CE2 3.87Å; F488-F543 HydrophobicContact CB-CZ 3.81Å; A489-F543 HydrophobicContact CB-CD1 4.16Å; A489-F543 HydrophobicContact CB-CG 4.2Å; L493-F543 WeakPolarHBondContact O-CD2 3.21Å; L493-F543 WeakPolarHBondContact O-CE2 3.24Å; A494-F543 HydrophobicContact CB-CE2 4.49Å; V500-F543 HydrophobicContact CB-CE2 4.2Å; V500-F543 HydrophobicContact CB-CZ 3.83Å; V500-F543 HydrophobicContact CG1-CZ 4.23Å; V500-F543 HydrophobicContact CG2-CE2 3.66Å; V500-F543 HydrophobicContact CG2-CZ 3.68Å; V536-F543 HydrophobicContact CB-CD1 4.32Å; V536-F543 HydrophobicContact CB-CE1 4.43Å; V536-F543 HydrophobicContact CG2-CD1 3.72Å; V536-F543 HydrophobicContact CG2-CE1 3.67Å; N540-F543 HydrophobicContact CB-CB 4.05Å; N540-F543 VanDerWaalsContact O-CB 3.27Å; N540-F543 WeakPolarHBondContact O-CB 3.24Å; N540-F543 PolarHBondContact O-N 3.28Å; P541-F543 VanDerWaalsContact C-N 3.32Å; F543-I545 HydrophobicContact CD1-CB 4.17Å; F543-I545 HydrophobicContact CD1-CG2 3.99Å; F543-I545 HydrophobicContact CE1-CB 3.86Å; F543-I545 HydrophobicContact CE1-CD1 3.9Å; F543-I545 HydrophobicContact CE1-CG1 4.45Å; F543-I545 HydrophobicContact CE1-CG2 4.06Å; F543-I545 HydrophobicContact CZ-CB 4.45Å; F543-I545 HydrophobicContact CZ-CD1 4.49Å; F543-I545 PolarHBondContact O-N 2.84Å
544	K	98.6	Very high	97.6	Very high	93 Å²	93	52.6 Å²	52.6	40%	0.404	28%	0.284	S	S	.	.			trans	-87.4	111.6	179.3	-64.1	-174	-177.9	174.8	0	110.3	A494 E496 G498 V500 S542	A494-K544 WeakPolarHBondContact O-CB 3.47Å; A494-K544 PolarHBondContact O-N 3.47Å; E496-K544 WeakPolarHBondContact O-CD 3.45Å; E496-K544 WeakPolarHBondContact O-CE 3.43Å; E496-K544 PolarHBondContact O-NZ 3.17Å; G498-K544 WeakPolarHBondContact O-CD 3.43Å; V500-K544 PolarHBondContact N-O 3.37Å; S542-K544 PolarHBondContact O-N 3.11Å
545	I	98.7	Very high	97.2	Very high	10 Å²	10	55.5 Å²	55.5	5%	0.051	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	137.4	179.2	-177.3	167.5	0	0	0	112.5	L485 V500 V502 A533 V536 K537 F543	L485-I545 HydrophobicContact CD1-CD1 4.21Å; L485-I545 HydrophobicContact CD2-CD1 3.43Å; L485-I545 VanDerWaalsContact CD2-CD1 3.43Å; L485-I545 HydrophobicContact CG-CD1 4.45Å; V500-I545 HydrophobicContact CB-CG1 4.45Å; V500-I545 HydrophobicContact CG1-CD1 4.29Å; V500-I545 HydrophobicContact CG1-CG1 4.39Å; V500-I545 CarbonylContact O-C 3.6Å; V500-I545 WeakPolarHBondContact O-CA 3.32Å; V500-I545 WeakPolarHBondContact O-CG1 3.46Å; V502-I545 HydrophobicContact CB-CD1 4.25Å; V502-I545 HydrophobicContact CG1-CD1 3.69Å; V502-I545 HydrophobicContact CG1-CG1 4Å; A533-I545 HydrophobicContact CB-CD1 3.9Å; A533-I545 HydrophobicContact CB-CG1 4.04Å; A533-I545 HydrophobicContact CB-CG2 3.97Å; V536-I545 HydrophobicContact CG2-CD1 4.34Å; V536-I545 HydrophobicContact CG2-CG2 4.37Å; K537-I545 HydrophobicContact CD-CG2 4.29Å; K537-I545 VanDerWaalsContact CE-CG2 3.42Å; K537-I545 HydrophobicContact CG-CG2 4.03Å; K537-I545 PolarHBondContact NZ-O 2.96Å; F543-I545 HydrophobicContact CD1-CB 4.17Å; F543-I545 HydrophobicContact CD1-CG2 3.99Å; F543-I545 HydrophobicContact CE1-CB 3.86Å; F543-I545 HydrophobicContact CE1-CD1 3.9Å; F543-I545 HydrophobicContact CE1-CG1 4.45Å; F543-I545 HydrophobicContact CE1-CG2 4.06Å; F543-I545 HydrophobicContact CZ-CB 4.45Å; F543-I545 HydrophobicContact CZ-CD1 4.49Å; F543-I545 PolarHBondContact O-N 2.84Å
546	T	98.7	Very high	97	Very high	53 Å²	53	55.5 Å²	55.5	33%	0.325	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	126.2	174.4	-65.5	0	0	0	0	109.6	E499 V500 I501 V502	E499-T546 VanDerWaalsContact OE1-CB 3.32Å; E499-T546 WeakPolarHBondContact OE1-CB 3.37Å; E499-T546 PolarHBondContact OE1-OG1 2.87Å; V500-T546 PolarHBondContact O-N 3.24Å; I501-T546 WeakPolarHBondContact CA-O 3.46Å; V502-T546 PolarHBondContact N-O 3.35Å
547	A	98.7	Very high	96.8	Very high	28 Å²	28	58.5 Å²	58.5	23%	0.231	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	128.5	-178.3	0	0	0	0	0	111.4	V502 D530 A533	V502-A547 HydrophobicContact CG1-CB 4Å; V502-A547 CarbonylContact O-C 3.59Å; V502-A547 WeakPolarHBondContact O-CA 3.19Å; D530-A547 VanDerWaalsContact OD1-CB 3.22Å; D530-A547 WeakPolarHBondContact OD1-CB 3.42Å; A533-A547 HydrophobicContact CB-CB 4.01Å
548	H	98.6	Very high	96.4	Very high	47 Å²	47	62.5 Å²	62.5	22%	0.218	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	158.8	173.2	-74.6	-159.5	0	0	0	109.9	V502 T503 D504 S529 Y560	V502-H548 PolarHBondContact O-N 2.85Å; T503-H548 WeakPolarHBondContact CA-O 3.03Å; T503-H548 WeakPolarHBondContact OG1-CB 3.47Å; D504-H548 PolarHBondContact N-O 3.05Å; S529-H548 VanDerWaalsContact CB-O 3.24Å; S529-H548 WeakPolarHBondContact CB-O 3.46Å; S529-H548 PolarHBondContact OG-O 2.69Å; H548-Y560 WeakPolarHBondContact CB-OH 3.46Å; H548-Y560 AromaticContact ND1-CE1 3.52Å; H548-Y560 AromaticContact ND1-CZ 3.71Å; H548-Y560 PolarHBondContact ND1-OH 2.8Å
549	Q	98	Very high	96.3	Very high	96 Å²	96	59.4 Å²	59.4	45%	0.449	30%	0.303	S	S	.	.			trans	-118.2	25.5	-177.7	-61.7	176.8	0.1	0	0	111.7	D504 M527 D530	D504-Q549 VanDerWaalsContact O-CA 3.29Å; D504-Q549 WeakPolarHBondContact O-CA 3.41Å; M527-Q549 HydrophobicContact CB-CG 4.41Å; M527-Q549 HydrophobicContact CE-CB 3.83Å; M527-Q549 HydrophobicContact CE-CG 3.82Å; M527-Q549 HydrophobicContact CG-CG 4.15Å; D530-Q549 PolarHBondContact OD2-NE2 2.83Å
550	N	97.3	Very high	96.2	Very high	54 Å²	54	59 Å²	59	29%	0.289	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-101.7	130.2	-167.4	-53.5	122.6	0	0	0	110.1	T503 V552 T556 Y560	T503-N550 PolarHBondContact OG1-N 2.61Å; T503-N550 VanDerWaalsContact OG1-N 3.1Å; T503-N550 PolarHBondContact OG1-O 3.36Å; N550-V552 PolarHBondContact O-N 2.78Å; N550-T556 HydrophobicContact CB-CG2 4.11Å; N550-Y560 HydrophobicContact CB-CE2 3.86Å; N550-Y560 WeakPolarHBondContact CB-OH 3.28Å; N550-Y560 PolarHBondContact OD1-OH 3.16Å
551	R	96.2	Very high	95.9	Very high	143 Å²	143	61 Å²	61	54%	0.54	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-61.1	123.3	165.5	-176.5	169.2	-176.5	172.3	1	108.7	M505 G553 T556	M505-R551 HydrophobicContact CB-CB 4.36Å; M505-R551 HydrophobicContact CE-CG 4.44Å; M505-R551 HydrophobicContact SD-CB 3.36Å; M505-R551 WeakPolarHBondContact SD-CB 3.43Å; M505-R551 VanDerWaalsContact SD-CD 3.59Å; M505-R551 HydrophobicContact SD-CG 3.36Å; M505-R551 WeakPolarHBondContact SD-CG 3.45Å; R551-G553 PolarHBondContact O-N 3.29Å; R551-T556 WeakPolarHBondContact O-CB 3.41Å; R551-T556 WeakPolarHBondContact O-CG2 3.39Å; R551-T556 PolarHBondContact O-OG1 3.11Å
552	V	95.8	Very high	95.6	Very high	18 Å²	18	57 Å²	57	11%	0.109	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-78.3	125	175	-179.1	0	0	0	0	109.5	F473 V475 T503 N550 Y560 Y583 M584	F473-V552 HydrophobicContact CE1-CG2 4.36Å; F473-V552 HydrophobicContact CZ-CG2 3.86Å; V475-V552 HydrophobicContact CG1-CB 3.94Å; V475-V552 HydrophobicContact CG1-CG1 4.45Å; V475-V552 HydrophobicContact CG1-CG2 3.68Å; T503-V552 HydrophobicContact CG2-CG2 3.34Å; N550-V552 PolarHBondContact O-N 2.78Å; V552-Y560 HydrophobicContact CG2-CD2 4.47Å; V552-Y560 HydrophobicContact CG2-CE2 4Å; V552-Y583 HydrophobicContact CG1-CD1 3.77Å; V552-Y583 HydrophobicContact CG1-CE1 3.46Å; V552-Y583 VanDerWaalsContact CG1-CE1 3.46Å; V552-M584 HydrophobicContact CG1-CG 4.26Å; V552-M584 HydrophobicContact CG1-SD 3.33Å; V552-M584 WeakPolarHBondContact CG1-SD 3.25Å
553	G	95.4	Very high	95.4	Very high	5 Å²	5	58.3 Å²	58.3	5%	0.052	29%	0.287	C	S	.	.	S	Bend	trans	172.1	177.6	-175.4	0	0	0	0	0	111.3	R551 E555 T556 Y583	R551-G553 PolarHBondContact O-N 3.29Å; G553-E555 PolarHBondContact O-N 3.41Å; G553-T556 PolarHBondContact N-OG1 3.3Å; G553-T556 PolarHBondContact O-N 3.16Å; G553-T556 PolarHBondContact O-OG1 3.01Å; G553-T556 VanDerWaalsContact O-OG1 3.09Å; G553-Y583 PolarHBondContact O-OH 3.09Å
554	P	91.8	Very high	95.3	Very high	88 Å²	88	59.2 Å²	59.2	57%	0.571	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-54.3	-29.1	-178.3	-26.9	35.5	0	0	0	114.1	T556 Y583	P554-T556 VanDerWaalsContact C-N 3.29Å; P554-T556 PolarHBondContact O-N 3.35Å; P554-Y583 HydrophobicContact CG-CD2 4.15Å; P554-Y583 HydrophobicContact CG-CE2 3.89Å
555	E	90.9	Very high	95.2	Very high	117 Å²	117	54.8 Å²	54.8	55%	0.547	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-70.9	-19.3	179.5	65.6	-79	-175.1	0	0	114.3	G553	G553-E555 PolarHBondContact O-N 3.41Å
556	T	94.8	Very high	95.1	Very high	17 Å²	17	58.6 Å²	58.6	10%	0.104	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-109.5	9.5	-177.9	52.8	0	0	0	0	114.2	N550 R551 G553 P554 R558 V559 Y560	N550-T556 HydrophobicContact CB-CG2 4.11Å; R551-T556 WeakPolarHBondContact O-CB 3.41Å; R551-T556 WeakPolarHBondContact O-CG2 3.39Å; R551-T556 PolarHBondContact O-OG1 3.11Å; G553-T556 PolarHBondContact N-OG1 3.3Å; G553-T556 PolarHBondContact O-N 3.16Å; G553-T556 PolarHBondContact O-OG1 3.01Å; G553-T556 VanDerWaalsContact O-OG1 3.09Å; P554-T556 VanDerWaalsContact C-N 3.29Å; P554-T556 PolarHBondContact O-N 3.35Å; T556-R558 PolarHBondContact O-N 2.94Å; T556-V559 WeakPolarHBondContact O-CB 3.33Å; T556-V559 PolarHBondContact O-N 2.63Å; T556-Y560 PolarHBondContact O-N 2.82Å
557	E	92.8	Very high	95	Very high	63 Å²	63	58.3 Å²	58.3	29%	0.294	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-13.2	174.9	-68	-172.4	162.9	0	0	114.1	V559 Y560 D561 Y583 R587	E557-V559 VanDerWaalsContact C-N 3.34Å; E557-Y560 CarbonylContact O-C 3.58Å; E557-D561 VanDerWaalsContact O-CA 3.3Å; E557-D561 WeakPolarHBondContact O-CA 3.37Å; E557-D561 WeakPolarHBondContact O-CB 3.29Å; E557-D561 PolarHBondContact O-N 3.45Å; E557-Y583 WeakPolarHBondContact CG-OH 3.03Å; E557-Y583 PolarHBondContact OE1-OH 3.36Å; E557-R587 VanDerWaalsContact CD-NH1 3.27Å; E557-R587 IonicContact OE1-CZ 3.72Å; E557-R587 IonicContact OE1-NH1 3.62Å; E557-R587 PolarHBondContact OE1-NH1 3.13Å; E557-R587 IonicContact OE2-NH1 2.77Å
558	R	91.1	Very high	95	Very high	182 Å²	182	57 Å²	57	69%	0.687	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-21.6	170.4	-65.9	-175.9	-176.8	-172.1	2.7	113.9	T556 H1029	T556-R558 PolarHBondContact O-N 2.94Å; R558-H1029 PolarHBondContact NE-CE1 3.27Å
559	V	94.6	Very high	95	Very high	66 Å²	66	58.2 Å²	58.2	40%	0.4	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-45.3	177.4	-179.4	0	0	0	0	108.8	T556 E557 D561	T556-V559 WeakPolarHBondContact O-CB 3.33Å; T556-V559 PolarHBondContact O-N 2.63Å; E557-V559 VanDerWaalsContact C-N 3.34Å; V559-D561 PolarHBondContact O-N 2.68Å
560	Y	95.9	Very high	95	Very high	1 Å²	1	53.7 Å²	53.7	0%	0.004	27%	0.266	C	S	.	.	S	Bend	trans	-102	62.8	178	-50.4	-64.1	0	0	0	110.1	F473 T503 H548 N550 V552 T556 E557 F564 F565 R587	F473-Y560 HydrophobicContact CE1-CD1 4.45Å; F473-Y560 HydrophobicContact CE2-CD1 4.42Å; F473-Y560 AromaticContact CE2-CE1 3.86Å; F473-Y560 HydrophobicContact CE2-CE1 3.86Å; F473-Y560 AromaticContact CZ-CD1 3.95Å; F473-Y560 HydrophobicContact CZ-CD1 3.95Å; F473-Y560 AromaticContact CZ-CE1 3.66Å; F473-Y560 HydrophobicContact CZ-CE1 3.66Å; F473-Y560 HydrophobicContact CZ-CE2 4.38Å; F473-Y560 HydrophobicContact CZ-CG 4.4Å; F473-Y560 AromaticContact CZ-CZ 3.9Å; T503-Y560 VanDerWaalsContact CB-OH 3.23Å; T503-Y560 WeakPolarHBondContact CB-OH 3.4Å; T503-Y560 PolarHBondContact OG1-OH 2.65Å; H548-Y560 WeakPolarHBondContact CB-OH 3.46Å; H548-Y560 AromaticContact ND1-CE1 3.52Å; H548-Y560 AromaticContact ND1-CZ 3.71Å; H548-Y560 PolarHBondContact ND1-OH 2.8Å; N550-Y560 HydrophobicContact CB-CE2 3.86Å; N550-Y560 WeakPolarHBondContact CB-OH 3.28Å; N550-Y560 PolarHBondContact OD1-OH 3.16Å; V552-Y560 HydrophobicContact CG2-CD2 4.47Å; V552-Y560 HydrophobicContact CG2-CE2 4Å; T556-Y560 PolarHBondContact O-N 2.82Å; E557-Y560 CarbonylContact O-C 3.58Å; Y560-F564 AromaticContact CD1-CD1 3.78Å; Y560-F564 HydrophobicContact CD1-CD1 3.78Å; Y560-F564 HydrophobicContact CD1-CD2 4.2Å; Y560-F564 AromaticContact CD1-CE1 3.55Å; Y560-F564 HydrophobicContact CD1-CE1 3.55Å; Y560-F564 AromaticContact CD1-CE2 4Å; Y560-F564 HydrophobicContact CD1-CE2 4Å; Y560-F564 HydrophobicContact CD1-CG 4.1Å; Y560-F564 AromaticContact CD1-CZ 3.67Å; Y560-F564 HydrophobicContact CD1-CZ 3.67Å; Y560-F564 HydrophobicContact CE1-CE1 4.32Å; Y560-F564 HydrophobicContact CE1-CE2 4.32Å; Y560-F564 HydrophobicContact CE1-CZ 4.04Å; Y560-F564 HydrophobicContact CG-CD1 4.33Å; Y560-F564 HydrophobicContact CG-CE1 4.32Å; Y560-F565 WeakPolarHBondContact O-CE2 3.46Å; Y560-R587 PolarHBondContact O-NH2 3.11Å; Y560-R587 VanDerWaalsContact O-NH2 3.17Å
561	D	93.1	Very high	95.1	Very high	41 Å²	41	51.1 Å²	51.1	22%	0.219	25%	0.252	C	S	.	.			trans	-81	-169.3	-177.1	69.6	-1.8	0	0	0	112.3	E557 V559 D563 F564 F565	E557-D561 VanDerWaalsContact O-CA 3.3Å; E557-D561 WeakPolarHBondContact O-CA 3.37Å; E557-D561 WeakPolarHBondContact O-CB 3.29Å; E557-D561 PolarHBondContact O-N 3.45Å; V559-D561 PolarHBondContact O-N 2.68Å; D561-D563 PolarHBondContact O-N 2.81Å; D561-D563 PolarHBondContact OD1-N 3.27Å; D561-F564 WeakPolarHBondContact O-CB 2.97Å; D561-F564 PolarHBondContact O-N 3.2Å; D561-F564 PolarHBondContact OD1-N 2.68Å; D561-F565 PolarHBondContact O-N 2.97Å; D561-F565 VanDerWaalsContact O-N 3.11Å
562	D	90.3	Very high	95.2	Very high	15 Å²	15	44.3 Å²	44.3	8%	0.08	23%	0.227	C	C	.	.	H	α-helix	trans	-61.2	-42.4	-178.4	-62.3	-6.6	0	0	0	112	F564 F565 E566 Y591 K1031	D562-F564 VanDerWaalsContact C-N 3.32Å; D562-F564 PolarHBondContact O-N 2.82Å; D562-F565 PolarHBondContact O-N 3.26Å; D562-E566 VanDerWaalsContact O-CB 3.24Å; D562-E566 WeakPolarHBondContact O-CB 3.48Å; D562-E566 WeakPolarHBondContact O-CG 3.18Å; D562-E566 PolarHBondContact O-N 2.74Å; D562-Y591 HydrophobicContact CB-CE1 4.11Å; D562-Y591 PolarHBondContact OD1-OH 3.44Å; D562-K1031 HydrophobicContact CB-CD 4.11Å; D562-K1031 WeakPolarHBondContact OD2-CB 3.43Å
563	D	93.4	Very high	95.3	Very high	84 Å²	84	43.5 Å²	43.5	45%	0.449	22%	0.222	S	C	.	.	H	α-helix	trans	-65.5	-39.9	-179.6	-69.7	-27.6	0	0	0	111	D561 S567 K1031	D561-D563 PolarHBondContact O-N 2.81Å; D561-D563 PolarHBondContact OD1-N 3.27Å; D563-S567 WeakPolarHBondContact O-CB 3.25Å; D563-S567 PolarHBondContact O-N 3.49Å; D563-S567 PolarHBondContact O-OG 3.04Å; D563-K1031 IonicContact OD1-NZ 2.9Å; D563-K1031 PolarHBondContact OD1-NZ 2.99Å; D563-K1031 IonicContact OD2-NZ 3.67Å; D563-K1031 PolarHBondContact OD2-NZ 3.49Å
564	F	96.8	Very high	95.5	Very high	23 Å²	23	43.9 Å²	43.9	10%	0.101	22%	0.224	C	C	.	.	H	α-helix	trans	-57.2	-57.7	173.9	178	-94.6	0	0	0	110.8	F473 I501 Y560 D561 D562 S567 L568	F473-F564 HydrophobicContact CB-CE1 4.34Å; F473-F564 HydrophobicContact CB-CZ 4.18Å; F473-F564 AromaticContact CD1-CE1 3.74Å; F473-F564 HydrophobicContact CD1-CE1 3.74Å; F473-F564 HydrophobicContact CD1-CZ 4.08Å; F473-F564 HydrophobicContact CD2-CE1 4.19Å; F473-F564 AromaticContact CD2-CZ 3.67Å; F473-F564 HydrophobicContact CD2-CZ 3.67Å; F473-F564 AromaticContact CE1-CE1 3.95Å; F473-F564 HydrophobicContact CE1-CE1 3.95Å; F473-F564 HydrophobicContact CE1-CZ 4.34Å; F473-F564 HydrophobicContact CE2-CE1 4.39Å; F473-F564 AromaticContact CE2-CZ 3.97Å; F473-F564 HydrophobicContact CE2-CZ 3.97Å; F473-F564 AromaticContact CG-CE1 3.86Å; F473-F564 HydrophobicContact CG-CE1 3.86Å; F473-F564 AromaticContact CG-CZ 3.73Å; F473-F564 HydrophobicContact CG-CZ 3.73Å; F473-F564 HydrophobicContact CZ-CE1 4.27Å; F473-F564 HydrophobicContact CZ-CZ 4.27Å; I501-F564 HydrophobicContact CB-CE2 4.37Å; I501-F564 HydrophobicContact CB-CZ 4.38Å; I501-F564 HydrophobicContact CD1-CE2 4.32Å; I501-F564 HydrophobicContact CG1-CE2 4.16Å; I501-F564 HydrophobicContact CG2-CE2 4.2Å; I501-F564 HydrophobicContact CG2-CZ 4.29Å; Y560-F564 AromaticContact CD1-CD1 3.78Å; Y560-F564 HydrophobicContact CD1-CD1 3.78Å; Y560-F564 HydrophobicContact CD1-CD2 4.2Å; Y560-F564 AromaticContact CD1-CE1 3.55Å; Y560-F564 HydrophobicContact CD1-CE1 3.55Å; Y560-F564 AromaticContact CD1-CE2 4Å; Y560-F564 HydrophobicContact CD1-CE2 4Å; Y560-F564 HydrophobicContact CD1-CG 4.1Å; Y560-F564 AromaticContact CD1-CZ 3.67Å; Y560-F564 HydrophobicContact CD1-CZ 3.67Å; Y560-F564 HydrophobicContact CE1-CE1 4.32Å; Y560-F564 HydrophobicContact CE1-CE2 4.32Å; Y560-F564 HydrophobicContact CE1-CZ 4.04Å; Y560-F564 HydrophobicContact CG-CD1 4.33Å; Y560-F564 HydrophobicContact CG-CE1 4.32Å; D561-F564 WeakPolarHBondContact O-CB 2.97Å; D561-F564 PolarHBondContact O-N 3.2Å; D561-F564 PolarHBondContact OD1-N 2.68Å; D562-F564 VanDerWaalsContact C-N 3.32Å; D562-F564 PolarHBondContact O-N 2.82Å; F564-S567 PolarHBondContact O-N 3.37Å; F564-S567 PolarHBondContact O-OG 3.19Å; F564-L568 HydrophobicContact CD1-CD1 4.33Å; F564-L568 HydrophobicContact CE1-CD1 3.84Å; F564-L568 HydrophobicContact CZ-CD1 4.39Å; F564-L568 HydrophobicContact CZ-CD2 4.34Å; F564-L568 WeakPolarHBondContact O-CG 3.48Å
565	F	96.8	Very high	95.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-68.1	-40.2	-176.1	-85.4	-89	0	0	0	112.9	Y560 D561 D562 S567 L568 M584 R587 Y591 K593	Y560-F565 WeakPolarHBondContact O-CE2 3.46Å; D561-F565 PolarHBondContact O-N 2.97Å; D561-F565 VanDerWaalsContact O-N 3.11Å; D562-F565 PolarHBondContact O-N 3.26Å; F565-S567 PolarHBondContact O-N 2.64Å; F565-L568 HydrophobicContact CD1-CD1 4.14Å; F565-L568 WeakPolarHBondContact O-CB 3.25Å; F565-L568 PolarHBondContact O-N 3.42Å; F565-L568 VanDerWaalsContact O-N 3.1Å; F565-M584 HydrophobicContact CE1-CE 3.93Å; F565-M584 HydrophobicContact CZ-CE 4Å; F565-R587 HydrophobicContact CE1-CB 3.88Å; F565-R587 HydrophobicContact CZ-CB 3.84Å; F565-R587 HydrophobicContact CZ-CG 4.25Å; F565-Y591 HydrophobicContact CB-CD1 3.67Å; F565-Y591 HydrophobicContact CB-CD2 3.3Å; F565-Y591 HydrophobicContact CB-CE1 3.91Å; F565-Y591 HydrophobicContact CB-CE2 3.57Å; F565-Y591 HydrophobicContact CB-CG 3.37Å; F565-Y591 AromaticContact CD1-CD2 3.57Å; F565-Y591 HydrophobicContact CD1-CD2 3.57Å; F565-Y591 HydrophobicContact CD1-CE2 4.09Å; F565-Y591 HydrophobicContact CD1-CG 4.24Å; F565-Y591 AromaticContact CD2-CD2 3.94Å; F565-Y591 HydrophobicContact CD2-CD2 3.94Å; F565-Y591 AromaticContact CD2-CE2 3.58Å; F565-Y591 HydrophobicContact CD2-CE2 3.58Å; F565-Y591 HydrophobicContact CE1-CD2 4.34Å; F565-Y591 HydrophobicContact CE2-CE2 4.27Å; F565-Y591 AromaticContact CG-CD2 3.33Å; F565-Y591 HydrophobicContact CG-CD2 3.33Å; F565-Y591 AromaticContact CG-CE2 3.48Å; F565-Y591 HydrophobicContact CG-CE2 3.48Å; F565-Y591 VanDerWaalsContact CG-CE2 3.48Å; F565-Y591 AromaticContact CG-CG 3.94Å; F565-Y591 HydrophobicContact CG-CG 3.94Å; F565-K593 WeakPolarHBondContact O-CE 3.27Å
566	E	95.3	Very high	95.7	Very high	90 Å²	90	40.4 Å²	40.4	42%	0.421	21%	0.205	S	C	.	.	H	α-helix	trans	-60.2	-34	-178	-76.5	178.1	178.5	0	0	112.1	D562 L568 Y591 K593 R1053	D562-E566 VanDerWaalsContact O-CB 3.24Å; D562-E566 WeakPolarHBondContact O-CB 3.48Å; D562-E566 WeakPolarHBondContact O-CG 3.18Å; D562-E566 PolarHBondContact O-N 2.74Å; E566-L568 VanDerWaalsContact C-N 3.32Å; E566-L568 PolarHBondContact O-N 3.47Å; E566-Y591 HydrophobicContact CG-CD1 4.13Å; E566-Y591 HydrophobicContact CG-CE1 4.5Å; E566-K593 PolarHBondContact O-NZ 2.81Å; E566-R1053 IonicContact OE1-CZ 2.7Å; E566-R1053 IonicContact OE1-NH1 2.64Å; E566-R1053 IonicContact OE1-NH2 3.09Å; E566-R1053 PolarHBondContact OE1-NH2 2.87Å
567	S	97.1	Very high	95.5	Very high	46 Å²	46	42.2 Å²	42.2	32%	0.322	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-10.7	178.7	73.1	0	0	0	0	115.7	R471 D563 F564 F565	R471-S567 PolarHBondContact NH1-OG 3.17Å; D563-S567 WeakPolarHBondContact O-CB 3.25Å; D563-S567 PolarHBondContact O-N 3.49Å; D563-S567 PolarHBondContact O-OG 3.04Å; F564-S567 PolarHBondContact O-N 3.37Å; F564-S567 PolarHBondContact O-OG 3.19Å; F565-S567 PolarHBondContact O-N 2.64Å
568	L	98.6	Very high	95.4	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	22%	0.222	C	C	.	.			trans	-78.9	149.5	-179.7	-59.7	176.4	0	0	0	111.9	R471 F473 I501 F564 F565 E566 V571 K593	R471-L568 HydrophobicContact CG-CD2 4.06Å; F473-L568 HydrophobicContact CB-CD1 3.59Å; F473-L568 HydrophobicContact CB-CD2 4.09Å; F473-L568 HydrophobicContact CB-CG 4.49Å; F473-L568 HydrophobicContact CD1-CD1 4.45Å; F473-L568 HydrophobicContact CG-CD1 4.38Å; I501-L568 HydrophobicContact CD1-CD2 4.25Å; F564-L568 HydrophobicContact CD1-CD1 4.33Å; F564-L568 HydrophobicContact CE1-CD1 3.84Å; F564-L568 HydrophobicContact CZ-CD1 4.39Å; F564-L568 HydrophobicContact CZ-CD2 4.34Å; F564-L568 WeakPolarHBondContact O-CG 3.48Å; F565-L568 HydrophobicContact CD1-CD1 4.14Å; F565-L568 WeakPolarHBondContact O-CB 3.25Å; F565-L568 PolarHBondContact O-N 3.42Å; F565-L568 VanDerWaalsContact O-N 3.1Å; E566-L568 VanDerWaalsContact C-N 3.32Å; E566-L568 PolarHBondContact O-N 3.47Å; L568-V571 HydrophobicContact CD1-CG2 4.14Å; L568-K593 WeakPolarHBondContact O-CD 3.35Å; L568-K593 WeakPolarHBondContact O-CE 3.4Å; L568-K593 PolarHBondContact O-NZ 3.28Å
569	N	98.6	Very high	95.4	Very high	72 Å²	72	40.5 Å²	40.5	39%	0.385	22%	0.223	S	C	.	.	S	Bend	trans	-89.6	-29.3	166.5	-59.1	116	0	0	0	112.3	Q470 R471 Y472 P594	Q470-N569 VanDerWaalsContact OE1-CB 3.27Å; R471-N569 PolarHBondContact N-OD1 3.43Å; R471-N569 PolarHBondContact O-N 2.66Å; Y472-N569 HydrophobicContact CD2-CB 4.48Å; Y472-N569 HydrophobicContact CE2-CB 4.09Å; N569-P594 VanDerWaalsContact O-CD 3.24Å; N569-P594 WeakPolarHBondContact O-CD 3.33Å; N569-P594 WeakPolarHBondContact O-CG 3.2Å
570	G	98.7	Very high	95.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.6	173.3	177.7	0	0	0	0	0	113.8	Y472 F473	Y472-G570 WeakPolarHBondContact CA-O 3.39Å; F473-G570 PolarHBondContact N-O 3.48Å; F473-G570 VanDerWaalsContact N-O 3.14Å
571	V	98.9	Very high	95.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	141.2	179.5	-179.2	0	0	0	0	109.5	F473 V475 L568 M584 C588 P594 L595 L596	F473-V571 HydrophobicContact CB-CG2 4.39Å; F473-V571 HydrophobicContact CD1-CG1 4.49Å; F473-V571 WeakPolarHBondContact O-CA 3.38Å; V475-V571 HydrophobicContact CG2-CG1 4.29Å; L568-V571 HydrophobicContact CD1-CG2 4.14Å; V571-M584 HydrophobicContact CG1-CE 3.58Å; V571-M584 HydrophobicContact CG2-CE 4.44Å; V571-C588 VanDerWaalsContact CG2-SG 3.59Å; V571-P594 PolarHBondContact N-O 2.85Å; V571-L595 HydrophobicContact CB-CD1 3.94Å; V571-L595 HydrophobicContact CG1-CD1 3.73Å; V571-L595 WeakPolarHBondContact O-CA 3.34Å; V571-L596 PolarHBondContact O-N 3.03Å
572	A	98.9	Very high	95.6	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.008	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	125.9	170.8	0	0	0	0	0	110	F473 L474 V475 L484 F488 L596	F473-A572 PolarHBondContact O-N 2.79Å; L474-A572 WeakPolarHBondContact CA-O 3.41Å; L474-A572 HydrophobicContact CD1-CB 4.14Å; V475-A572 PolarHBondContact N-O 3.33Å; L484-A572 HydrophobicContact CD1-CB 4.23Å; F488-A572 HydrophobicContact CZ-CB 4.11Å; A572-L596 HydrophobicContact CB-CB 4.29Å
573	N	98.8	Very high	96	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	138.3	176.4	-80	-11.1	0	0	0	111	L575 L595 L596 E597	N573-L575 HydrophobicContact CB-CD1 4.11Å; N573-L575 HydrophobicContact CB-CG 4.32Å; N573-L595 HydrophobicContact CB-CD1 4.47Å; N573-L596 PolarHBondContact N-O 3.07Å; N573-E597 WeakPolarHBondContact CB-OE2 3.46Å; N573-E597 PolarHBondContact ND2-OE2 2.91Å
574	A	98.1	Very high	96.2	Very high	12 Å²	12	35.7 Å²	35.7	10%	0.099	19%	0.193	C	C	.	.			trans	-134.8	46.8	173	0	0	0	0	0	110	L474 V475 G476 I480 L484	L474-A574 HydrophobicContact CD1-CB 4.05Å; V475-A574 CarbonylContact O-C 3.56Å; V475-A574 WeakPolarHBondContact O-CA 3.39Å; V475-A574 PolarHBondContact O-N 2.99Å; G476-A574 WeakPolarHBondContact O-CB 3.15Å; I480-A574 HydrophobicContact CB-CB 3.95Å; I480-A574 HydrophobicContact CG2-CB 3.76Å; L484-A574 HydrophobicContact CD1-CB 4.3Å
575	L	96.1	Very high	96.3	Very high	24 Å²	24	34.7 Å²	34.7	13%	0.126	19%	0.189	C	C	.	.			trans	-94.5	162.8	-168.3	-65.8	169.4	0	0	0	112.4	V475 N573 A580 R581 M584	V475-L575 HydrophobicContact CB-CD2 4.47Å; V475-L575 HydrophobicContact CG1-CD2 3.74Å; V475-L575 HydrophobicContact CG1-CG 4.37Å; N573-L575 HydrophobicContact CB-CD1 4.11Å; N573-L575 HydrophobicContact CB-CG 4.32Å; L575-A580 HydrophobicContact CD1-CB 3.78Å; L575-A580 HydrophobicContact CD2-CB 3.82Å; L575-A580 HydrophobicContact CG-CB 4.32Å; L575-R581 HydrophobicContact CB-CG 4.09Å; L575-R581 HydrophobicContact CD1-CB 4.43Å; L575-R581 HydrophobicContact CD1-CG 3.87Å; L575-R581 PolarHBondContact O-NH1 3.3Å; L575-R581 PolarHBondContact O-NH2 3.22Å; L575-M584 HydrophobicContact CD1-CG 4.46Å
576	D	91.5	Very high	96.3	Very high	109 Å²	109	41.1 Å²	41.1	58%	0.583	21%	0.213	S	C	*	.	S	Bend	trans	-120.8	0.1	-179.8	64.7	-4.5	0	0	0	113.9
577	N	89.8	Confident	96.5	Very high	54 Å²	54	38.2 Å²	38.2	29%	0.289	20%	0.198	S	C	.	.	S	Bend	trans	-135.6	151	179.8	66.2	91.6	0	0	0	111.9	A580 R581	N577-A580 WeakPolarHBondContact OD1-CB 3.46Å; N577-A580 PolarHBondContact OD1-N 3.43Å; N577-R581 VanDerWaalsContact N-NH1 3.19Å; N577-R581 WeakPolarHBondContact O-CG 3.45Å; N577-R581 PolarHBondContact O-NH1 2.89Å; N577-R581 VanDerWaalsContact O-NH1 3.13Å
578	V	90.6	Very high	96.5	Very high	78 Å²	78	36 Å²	36	47%	0.473	18%	0.183	S	C	.	.	H	α-helix	trans	-71.5	-36.1	-176	176.8	0	0	0	0	111.7	A580 R581 M582	V578-A580 PolarHBondContact O-N 3.5Å; V578-R581 WeakPolarHBondContact O-CB 3.3Å; V578-R581 PolarHBondContact O-N 3.49Å; V578-R581 VanDerWaalsContact O-N 3.13Å; V578-M582 HydrophobicContact CG1-CG 3.92Å; V578-M582 VanDerWaalsContact O-CG 3.27Å; V578-M582 WeakPolarHBondContact O-CG 3.4Å; V578-M582 PolarHBondContact O-N 2.93Å
579	D	91.9	Very high	96.5	Very high	132 Å²	132	36.8 Å²	36.8	71%	0.706	19%	0.188	S	C	*	.	H	α-helix	trans	-60.5	-44	-177.6	-74.4	-23.6	0	0	0	112.8	Y583	D579-Y583 WeakPolarHBondContact O-CB 3.3Å; D579-Y583 PolarHBondContact O-N 3.27Å
580	A	94.9	Very high	96.4	Very high	16 Å²	16	34.5 Å²	34.5	13%	0.132	17%	0.174	C	C	.	.	H	α-helix	trans	-66.8	-37.1	176.4	0	0	0	0	0	112	L575 N577 V578 Y583 M584	L575-A580 HydrophobicContact CD1-CB 3.78Å; L575-A580 HydrophobicContact CD2-CB 3.82Å; L575-A580 HydrophobicContact CG-CB 4.32Å; N577-A580 WeakPolarHBondContact OD1-CB 3.46Å; N577-A580 PolarHBondContact OD1-N 3.43Å; V578-A580 PolarHBondContact O-N 3.5Å; A580-Y583 PolarHBondContact O-N 3.36Å; A580-M584 PolarHBondContact O-N 3.17Å
581	R	97.7	Very high	96.4	Very high	24 Å²	24	35.2 Å²	35.2	9%	0.091	18%	0.177	C	C	.	.	H	α-helix	trans	-61.6	-51.3	175.3	-70.6	176.2	168.8	86.6	-0.2	110.8	L575 N577 V578 Y583 M584 D585 E597 S598 Y618	L575-R581 HydrophobicContact CB-CG 4.09Å; L575-R581 HydrophobicContact CD1-CB 4.43Å; L575-R581 HydrophobicContact CD1-CG 3.87Å; L575-R581 PolarHBondContact O-NH1 3.3Å; L575-R581 PolarHBondContact O-NH2 3.22Å; N577-R581 VanDerWaalsContact N-NH1 3.19Å; N577-R581 WeakPolarHBondContact O-CG 3.45Å; N577-R581 PolarHBondContact O-NH1 2.89Å; N577-R581 VanDerWaalsContact O-NH1 3.13Å; V578-R581 WeakPolarHBondContact O-CB 3.3Å; V578-R581 PolarHBondContact O-N 3.49Å; V578-R581 VanDerWaalsContact O-N 3.13Å; R581-Y583 VanDerWaalsContact C-N 3.27Å; R581-Y583 PolarHBondContact O-N 3.01Å; R581-M584 PolarHBondContact O-N 3.06Å; R581-M584 VanDerWaalsContact O-N 3.14Å; R581-D585 WeakPolarHBondContact O-CB 3.43Å; R581-D585 PolarHBondContact O-N 3.08Å; R581-E597 WeakPolarHBondContact CD-OE1 3.21Å; R581-E597 IonicContact CZ-OE1 2.87Å; R581-E597 IonicContact NE-OE1 3.9Å; R581-E597 PolarHBondContact NE-OE1 3.24Å; R581-E597 IonicContact NH2-OE1 2.62Å; R581-S598 PolarHBondContact NH2-O 2.95Å; R581-S598 VanDerWaalsContact NH2-O 3.15Å; R581-Y618 HydrophobicContact CB-CD1 4.12Å; R581-Y618 HydrophobicContact CB-CE1 3.65Å
582	M	96.2	Very high	96.3	Very high	50 Å²	50	39 Å²	39	25%	0.246	19%	0.191	C	C	.	.	H	α-helix	trans	-60.4	-35.9	177.1	-65.5	-67.8	-73.6	0	0	112.1	V578 R586 Y618 S619	V578-M582 HydrophobicContact CG1-CG 3.92Å; V578-M582 VanDerWaalsContact O-CG 3.27Å; V578-M582 WeakPolarHBondContact O-CG 3.4Å; V578-M582 PolarHBondContact O-N 2.93Å; M582-R586 WeakPolarHBondContact O-CG 3.33Å; M582-R586 VanDerWaalsContact O-CZ 3.28Å; M582-R586 PolarHBondContact O-N 2.94Å; M582-R586 PolarHBondContact O-NH1 2.86Å; M582-Y618 HydrophobicContact CG-CD1 4.44Å; M582-Y618 HydrophobicContact CG-CE1 4.16Å; M582-Y618 HydrophobicContact SD-CD1 3.66Å; M582-Y618 HydrophobicContact SD-CE1 3.7Å; M582-S619 VanDerWaalsContact CE-CB 3.41Å; M582-S619 WeakPolarHBondContact CE-OG 2.88Å; M582-S619 PolarHBondContact SD-OG 3.21Å
583	Y	97.5	Very high	96.3	Very high	16 Å²	16	40.6 Å²	40.6	6%	0.063	20%	0.198	C	C	.	.	H	α-helix	trans	-64.5	-50.1	173.5	175.5	-92.8	0	0	0	111.5	V552 G553 P554 E557 D579 A580 R581 D585 R586 R587	V552-Y583 HydrophobicContact CG1-CD1 3.77Å; V552-Y583 HydrophobicContact CG1-CE1 3.46Å; V552-Y583 VanDerWaalsContact CG1-CE1 3.46Å; G553-Y583 PolarHBondContact O-OH 3.09Å; P554-Y583 HydrophobicContact CG-CD2 4.15Å; P554-Y583 HydrophobicContact CG-CE2 3.89Å; E557-Y583 WeakPolarHBondContact CG-OH 3.03Å; E557-Y583 PolarHBondContact OE1-OH 3.36Å; D579-Y583 WeakPolarHBondContact O-CB 3.3Å; D579-Y583 PolarHBondContact O-N 3.27Å; A580-Y583 PolarHBondContact O-N 3.36Å; R581-Y583 VanDerWaalsContact C-N 3.27Å; R581-Y583 PolarHBondContact O-N 3.01Å; Y583-D585 PolarHBondContact O-N 3.21Å; Y583-R586 PolarHBondContact O-N 2.83Å; Y583-R587 HydrophobicContact CD1-CG 4.23Å; Y583-R587 HydrophobicContact CE1-CG 3.78Å; Y583-R587 HydrophobicContact CE2-CG 4.27Å; Y583-R587 WeakPolarHBondContact O-CG 3.23Å; Y583-R587 PolarHBondContact O-N 3.18Å; Y583-R587 VanDerWaalsContact O-N 3.11Å
584	M	98.4	Very high	96.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.7	-39.2	-179.9	-75.4	-51.1	-60.6	0	0	112.9	F473 V475 V552 F565 V571 L575 A580 R581 R587 C588	F473-M584 HydrophobicContact CD1-CE 3.98Å; F473-M584 HydrophobicContact CE1-CE 3.97Å; F473-M584 HydrophobicContact CE1-SD 4.47Å; V475-M584 HydrophobicContact CG1-CG 4.41Å; V475-M584 HydrophobicContact CG2-CE 3.81Å; V475-M584 HydrophobicContact CG2-CG 4.2Å; V475-M584 HydrophobicContact CG2-SD 4.1Å; V552-M584 HydrophobicContact CG1-CG 4.26Å; V552-M584 HydrophobicContact CG1-SD 3.33Å; V552-M584 WeakPolarHBondContact CG1-SD 3.25Å; F565-M584 HydrophobicContact CE1-CE 3.93Å; F565-M584 HydrophobicContact CZ-CE 4Å; V571-M584 HydrophobicContact CG1-CE 3.58Å; V571-M584 HydrophobicContact CG2-CE 4.44Å; L575-M584 HydrophobicContact CD1-CG 4.46Å; A580-M584 PolarHBondContact O-N 3.17Å; R581-M584 PolarHBondContact O-N 3.06Å; R581-M584 VanDerWaalsContact O-N 3.14Å; M584-R587 PolarHBondContact O-N 3.41Å; M584-C588 WeakPolarHBondContact O-CB 3.43Å; M584-C588 PolarHBondContact O-N 2.91Å; M584-C588 PolarHBondContact O-SG 2.81Å; M584-C588 VanDerWaalsContact O-SG 3.34Å
585	D	98.4	Very high	96.4	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.011	20%	0.198	C	C	.	.	H	α-helix	trans	-56.4	-52	174	-178.7	59.9	0	0	0	111.7	R581 Y583 R587 C588 V589 L595 S617 Y618 S619	R581-D585 WeakPolarHBondContact O-CB 3.43Å; R581-D585 PolarHBondContact O-N 3.08Å; Y583-D585 PolarHBondContact O-N 3.21Å; D585-R587 VanDerWaalsContact C-N 3.29Å; D585-R587 PolarHBondContact O-N 3.03Å; D585-C588 PolarHBondContact O-N 2.75Å; D585-C588 VanDerWaalsContact O-N 3.09Å; D585-V589 WeakPolarHBondContact O-CG2 3.1Å; D585-V589 PolarHBondContact O-N 2.85Å; D585-L595 HydrophobicContact CB-CD2 4.22Å; D585-S617 WeakPolarHBondContact OD1-CB 3.29Å; D585-Y618 WeakPolarHBondContact OD1-CB 3.32Å; D585-Y618 PolarHBondContact OD1-N 3.39Å; D585-Y618 PolarHBondContact OD2-N 3.18Å; D585-S619 WeakPolarHBondContact OD2-CB 3.36Å; D585-S619 PolarHBondContact OD2-N 3.19Å; D585-S619 PolarHBondContact OD2-OG 3.3Å
586	R	97.5	Very high	96.5	Very high	134 Å²	134	39.9 Å²	39.9	51%	0.506	19%	0.193	S	C	.	.	H	α-helix	trans	-57.6	-40	175.9	-73.8	-172.9	-63.7	-91.7	-0.1	112.8	M582 Y583 Y590	M582-R586 WeakPolarHBondContact O-CG 3.33Å; M582-R586 VanDerWaalsContact O-CZ 3.28Å; M582-R586 PolarHBondContact O-N 2.94Å; M582-R586 PolarHBondContact O-NH1 2.86Å; Y583-R586 PolarHBondContact O-N 2.83Å; R586-Y590 VanDerWaalsContact O-CB 3.32Å; R586-Y590 WeakPolarHBondContact O-CB 3.28Å; R586-Y590 PolarHBondContact O-N 2.92Å
587	R	97.7	Very high	96.8	Very high	29 Å²	29	34.8 Å²	34.8	11%	0.109	17%	0.166	C	C	.	.	H	α-helix	trans	-66.8	-43.2	176.6	-61.2	-68.3	-71.7	179.6	6.9	110.6	E557 Y560 F565 Y583 M584 D585 Y590 Y591	E557-R587 VanDerWaalsContact CD-NH1 3.27Å; E557-R587 IonicContact OE1-CZ 3.72Å; E557-R587 IonicContact OE1-NH1 3.62Å; E557-R587 PolarHBondContact OE1-NH1 3.13Å; E557-R587 IonicContact OE2-NH1 2.77Å; Y560-R587 PolarHBondContact O-NH2 3.11Å; Y560-R587 VanDerWaalsContact O-NH2 3.17Å; F565-R587 HydrophobicContact CE1-CB 3.88Å; F565-R587 HydrophobicContact CZ-CB 3.84Å; F565-R587 HydrophobicContact CZ-CG 4.25Å; Y583-R587 HydrophobicContact CD1-CG 4.23Å; Y583-R587 HydrophobicContact CE1-CG 3.78Å; Y583-R587 HydrophobicContact CE2-CG 4.27Å; Y583-R587 WeakPolarHBondContact O-CG 3.23Å; Y583-R587 PolarHBondContact O-N 3.18Å; Y583-R587 VanDerWaalsContact O-N 3.11Å; M584-R587 PolarHBondContact O-N 3.41Å; D585-R587 VanDerWaalsContact C-N 3.29Å; D585-R587 PolarHBondContact O-N 3.03Å; R587-Y590 CarbonylContact O-C 3.17Å; R587-Y590 PolarHBondContact O-N 3.1Å; R587-Y591 PolarHBondContact NH2-OH 3.13Å; R587-Y591 WeakPolarHBondContact O-CD2 3.3Å; R587-Y591 PolarHBondContact O-N 2.9Å
588	C	98.6	Very high	97.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.8	-41.3	177.5	-72.6	0	0	0	0	112.6	V571 M584 D585 Y591 R592 K593 L595	V571-C588 VanDerWaalsContact CG2-SG 3.59Å; M584-C588 WeakPolarHBondContact O-CB 3.43Å; M584-C588 PolarHBondContact O-N 2.91Å; M584-C588 PolarHBondContact O-SG 2.81Å; M584-C588 VanDerWaalsContact O-SG 3.34Å; D585-C588 PolarHBondContact O-N 2.75Å; D585-C588 VanDerWaalsContact O-N 3.09Å; C588-Y591 PolarHBondContact O-N 2.88Å; C588-R592 CarbonylContact O-C 3.38Å; C588-R592 WeakPolarHBondContact O-CA 3.41Å; C588-R592 PolarHBondContact O-N 2.71Å; C588-K593 WeakPolarHBondContact CB-O 3.5Å; C588-K593 PolarHBondContact O-N 3.02Å; C588-L595 HydrophobicContact CB-CB 4.14Å
589	V	98.3	Very high	97.5	Very high	18 Å²	18	28.8 Å²	28.8	11%	0.109	13%	0.133	C	C	.	.	H	α-helix	trans	-59.4	-48.7	170.5	174.2	0	0	0	0	110.6	D585 Y591 R592 L953 W954 R956	D585-V589 WeakPolarHBondContact O-CG2 3.1Å; D585-V589 PolarHBondContact O-N 2.85Å; V589-Y591 PolarHBondContact O-N 2.84Å; V589-R592 PolarHBondContact O-N 3.15Å; V589-L953 HydrophobicContact CB-CD1 4.37Å; V589-L953 HydrophobicContact CG1-CD1 3.67Å; V589-L953 HydrophobicContact CG2-CD1 3.73Å; V589-W954 HydrophobicContact CB-CZ3 4.29Å; V589-W954 HydrophobicContact CG1-CE3 4.46Å; V589-W954 HydrophobicContact CG2-CH2 4.01Å; V589-W954 HydrophobicContact CG2-CZ2 4.49Å; V589-W954 HydrophobicContact CG2-CZ3 4.11Å; V589-R956 PolarHBondContact O-NH2 2.75Å
590	Y	96.7	Very high	97.8	Very high	25 Å²	25	24 Å²	24	10%	0.098	11%	0.109	C	C	.	.	H	α-helix	trans	-63.7	-34.7	178.8	-179.5	-96.4	0	0	0	113.5	R586 R587 R956 A1032 V1034 Y1051 R1053	R586-Y590 VanDerWaalsContact O-CB 3.32Å; R586-Y590 WeakPolarHBondContact O-CB 3.28Å; R586-Y590 PolarHBondContact O-N 2.92Å; R587-Y590 CarbonylContact O-C 3.17Å; R587-Y590 PolarHBondContact O-N 3.1Å; Y590-R956 PolarHBondContact O-NH1 2.9Å; Y590-R956 PolarHBondContact O-NH2 2.86Å; Y590-A1032 VanDerWaalsContact OH-CB 3.3Å; Y590-A1032 WeakPolarHBondContact OH-CB 3.28Å; Y590-V1034 HydrophobicContact CD2-CG2 3.77Å; Y590-V1034 HydrophobicContact CE2-CG2 3.45Å; Y590-V1034 VanDerWaalsContact CE2-CG2 3.45Å; Y590-Y1051 HydrophobicContact CD2-CE2 4.28Å; Y590-R1053 HydrophobicContact CE2-CG 4.42Å
591	Y	97.4	Very high	97.9	Very high	14 Å²	14	27.5 Å²	27.5	6%	0.055	12%	0.124	C	C	.	.	H	α-helix	trans	-98.3	5.6	177.3	-65.7	-75.7	0	0	0	114.1	D562 F565 E566 R587 C588 V589 K593	D562-Y591 HydrophobicContact CB-CE1 4.11Å; D562-Y591 PolarHBondContact OD1-OH 3.44Å; F565-Y591 HydrophobicContact CB-CD1 3.67Å; F565-Y591 HydrophobicContact CB-CD2 3.3Å; F565-Y591 HydrophobicContact CB-CE1 3.91Å; F565-Y591 HydrophobicContact CB-CE2 3.57Å; F565-Y591 HydrophobicContact CB-CG 3.37Å; F565-Y591 AromaticContact CD1-CD2 3.57Å; F565-Y591 HydrophobicContact CD1-CD2 3.57Å; F565-Y591 HydrophobicContact CD1-CE2 4.09Å; F565-Y591 HydrophobicContact CD1-CG 4.24Å; F565-Y591 AromaticContact CD2-CD2 3.94Å; F565-Y591 HydrophobicContact CD2-CD2 3.94Å; F565-Y591 AromaticContact CD2-CE2 3.58Å; F565-Y591 HydrophobicContact CD2-CE2 3.58Å; F565-Y591 HydrophobicContact CE1-CD2 4.34Å; F565-Y591 HydrophobicContact CE2-CE2 4.27Å; F565-Y591 AromaticContact CG-CD2 3.33Å; F565-Y591 HydrophobicContact CG-CD2 3.33Å; F565-Y591 AromaticContact CG-CE2 3.48Å; F565-Y591 HydrophobicContact CG-CE2 3.48Å; F565-Y591 VanDerWaalsContact CG-CE2 3.48Å; F565-Y591 AromaticContact CG-CG 3.94Å; F565-Y591 HydrophobicContact CG-CG 3.94Å; E566-Y591 HydrophobicContact CG-CD1 4.13Å; E566-Y591 HydrophobicContact CG-CE1 4.5Å; R587-Y591 PolarHBondContact NH2-OH 3.13Å; R587-Y591 WeakPolarHBondContact O-CD2 3.3Å; R587-Y591 PolarHBondContact O-N 2.9Å; C588-Y591 PolarHBondContact O-N 2.88Å; V589-Y591 PolarHBondContact O-N 2.84Å; Y591-K593 VanDerWaalsContact C-N 3.26Å; Y591-K593 PolarHBondContact O-N 3.02Å
592	R	98.2	Very high	97.9	Very high	80 Å²	80	26.7 Å²	26.7	30%	0.302	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	47	-175.5	-67.8	153.6	171.8	169.4	-2.5	111.5	C588 V589 P612 F613 W954 E958	C588-R592 CarbonylContact O-C 3.38Å; C588-R592 WeakPolarHBondContact O-CA 3.41Å; C588-R592 PolarHBondContact O-N 2.71Å; V589-R592 PolarHBondContact O-N 3.15Å; R592-P612 HydrophobicContact CB-CB 4.37Å; R592-P612 WeakPolarHBondContact O-CG 3.46Å; R592-F613 HydrophobicContact CB-CE2 4.27Å; R592-F613 HydrophobicContact CG-CE2 4Å; R592-F613 HydrophobicContact CG-CZ 3.86Å; R592-F613 VanDerWaalsContact NE-CZ 3.34Å; R592-W954 HydrophobicContact CG-CE3 4.49Å; R592-W954 PolarHBondContact NE-O 2.85Å; R592-E958 IonicContact NH1-OE1 3.66Å
593	K	98.5	Very high	98	Very high	34 Å²	34	24.9 Å²	24.9	15%	0.148	12%	0.115	C	C	.	.			trans	-104.1	138.4	177.5	-60.1	-50.6	-175.2	-177.5	0	110.6	F565 E566 L568 C588 Y591	F565-K593 WeakPolarHBondContact O-CE 3.27Å; E566-K593 PolarHBondContact O-NZ 2.81Å; L568-K593 WeakPolarHBondContact O-CD 3.35Å; L568-K593 WeakPolarHBondContact O-CE 3.4Å; L568-K593 PolarHBondContact O-NZ 3.28Å; C588-K593 WeakPolarHBondContact CB-O 3.5Å; C588-K593 PolarHBondContact O-N 3.02Å; Y591-K593 VanDerWaalsContact C-N 3.26Å; Y591-K593 PolarHBondContact O-N 3.02Å
594	P	98.7	Very high	98	Very high	18 Å²	18	27.6 Å²	27.6	12%	0.117	13%	0.127	C	C	.	.			trans	-64.3	143.6	171.1	28.9	-33.2	0	0	0	110.3	N569 V571 V610 I611 I911	N569-P594 VanDerWaalsContact O-CD 3.24Å; N569-P594 WeakPolarHBondContact O-CD 3.33Å; N569-P594 WeakPolarHBondContact O-CG 3.2Å; V571-P594 PolarHBondContact N-O 2.85Å; P594-V610 WeakPolarHBondContact CA-O 3.35Å; P594-I611 HydrophobicContact CB-CD1 4.31Å; P594-I911 HydrophobicContact CB-CD1 4.31Å; P594-I911 HydrophobicContact CB-CG2 3.78Å; P594-I911 HydrophobicContact CG-CG2 3.64Å
595	L	98.9	Very high	98	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	126.6	179.9	173.1	65.5	0	0	0	109.9	V571 N573 D585 C588 V610	V571-L595 HydrophobicContact CB-CD1 3.94Å; V571-L595 HydrophobicContact CG1-CD1 3.73Å; V571-L595 WeakPolarHBondContact O-CA 3.34Å; N573-L595 HydrophobicContact CB-CD1 4.47Å; D585-L595 HydrophobicContact CB-CD2 4.22Å; C588-L595 HydrophobicContact CB-CB 4.14Å; L595-V610 HydrophobicContact CB-CB 4.13Å; L595-V610 PolarHBondContact N-O 2.95Å; L595-V610 PolarHBondContact O-N 3.14Å
596	L	98.8	Very high	98	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.021	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	113.4	168.3	-70.9	169.6	0	0	0	108.8	V571 A572 N573 V609 V904 E907 L908 I911	V571-L596 PolarHBondContact O-N 3.03Å; A572-L596 HydrophobicContact CB-CB 4.29Å; N573-L596 PolarHBondContact N-O 3.07Å; L596-V609 HydrophobicContact CD2-CG2 4.2Å; L596-V904 HydrophobicContact CB-CG1 3.89Å; L596-V904 HydrophobicContact CD1-CG1 4Å; L596-V904 HydrophobicContact CD2-CG1 4.21Å; L596-V904 HydrophobicContact CG-CG1 4.26Å; L596-E907 HydrophobicContact CD2-CB 3.87Å; L596-L908 HydrophobicContact CD1-CB 3.91Å; L596-L908 HydrophobicContact CD1-CD1 3.78Å; L596-L908 HydrophobicContact CD1-CG 4.43Å; L596-I911 HydrophobicContact CD1-CD1 4.21Å; L596-I911 HydrophobicContact CD2-CD1 3.52Å; L596-I911 HydrophobicContact CG-CD1 3.74Å
597	E	98.6	Very high	98	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.009	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	144	179.9	177.2	54.5	-127.1	0	0	111.1	N573 R581 I607 Q608 Y618	N573-E597 WeakPolarHBondContact CB-OE2 3.46Å; N573-E597 PolarHBondContact ND2-OE2 2.91Å; R581-E597 WeakPolarHBondContact CD-OE1 3.21Å; R581-E597 IonicContact CZ-OE1 2.87Å; R581-E597 IonicContact NE-OE1 3.9Å; R581-E597 PolarHBondContact NE-OE1 3.24Å; R581-E597 IonicContact NH2-OE1 2.62Å; E597-I607 WeakPolarHBondContact O-CA 3.33Å; E597-Q608 HydrophobicContact CB-CB 4.32Å; E597-Q608 PolarHBondContact N-O 2.99Å; E597-Q608 PolarHBondContact O-N 3.05Å; E597-Y618 HydrophobicContact CG-CD2 3.84Å; E597-Y618 HydrophobicContact CG-CE2 4.08Å
598	S	98	Very high	98	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	151.1	178.3	62.3	0	0	0	0	113.7	R581 N606	R581-S598 PolarHBondContact NH2-O 2.95Å; R581-S598 VanDerWaalsContact NH2-O 3.15Å; S598-N606 WeakPolarHBondContact CA-O 3.32Å
599	G	97.4	Very high	98	Very high	6 Å²	6	24.1 Å²	24.1	6%	0.062	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	153.6	-178.4	0	0	0	0	0	112.8	G605 N606	G599-G605 VanDerWaalsContact O-CA 3.29Å; G599-G605 WeakPolarHBondContact O-CA 3.24Å; G599-N606 WeakPolarHBondContact CA-OD1 3.16Å; G599-N606 PolarHBondContact N-O 2.79Å; G599-N606 PolarHBondContact O-N 2.88Å
600	T	97.8	Very high	98	Very high	33 Å²	33	23.2 Å²	23.2	20%	0.202	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	140.8	175.6	61.3	0	0	0	0	111.1	I480 K604 T896 V900	I480-T600 HydrophobicContact CD1-CG2 4.36Å; T600-K604 CarbonylContact C-O 3.49Å; T600-K604 WeakPolarHBondContact CA-O 3.48Å; T600-T896 HydrophobicContact CG2-CG2 4.14Å; T600-V900 HydrophobicContact CG2-CB 4.33Å; T600-V900 HydrophobicContact CG2-CG2 3.83Å
601	L	96.3	Very high	98.1	Very high	88 Å²	88	22.4 Å²	22.4	46%	0.461	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	101.6	170.6	177.7	65.2	0	0	0	109.3	T603 K604 I890	L601-T603 PolarHBondContact O-N 2.71Å; L601-K604 PolarHBondContact N-O 2.94Å; L601-K604 VanDerWaalsContact O-CB 3.3Å; L601-K604 WeakPolarHBondContact O-CB 3.36Å; L601-K604 PolarHBondContact O-N 2.73Å; L601-I890 HydrophobicContact CD1-CG2 3.77Å
602	G	97.1	Very high	98.1	Very high	8 Å²	8	22.4 Å²	22.4	8%	0.082	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	56.7	-118.1	-172.7	0	0	0	0	0	111.5	K604 P891 T896	G602-K604 VanDerWaalsContact C-N 3.34Å; G602-P891 PolarHBondContact N-O 3.16Å; G602-T896 WeakPolarHBondContact O-CB 3.35Å; G602-T896 PolarHBondContact O-OG1 3Å
603	T	98.4	Very high	98.1	Very high	11 Å²	11	23.7 Å²	23.7	7%	0.067	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-8.3	176.2	52.6	0	0	0	0	114.1	V61 F417 L601 T896 N927 L928 A929	V61-T603 HydrophobicContact CG1-CG2 3.87Å; F417-T603 HydrophobicContact CD2-CG2 4.24Å; F417-T603 HydrophobicContact CE1-CG2 4.38Å; F417-T603 HydrophobicContact CE2-CG2 3.63Å; F417-T603 HydrophobicContact CZ-CG2 3.71Å; L601-T603 PolarHBondContact O-N 2.71Å; T603-T896 WeakPolarHBondContact CA-OG1 3.43Å; T603-N927 WeakPolarHBondContact CB-OD1 3.37Å; T603-N927 WeakPolarHBondContact O-CA 3.15Å; T603-N927 PolarHBondContact OG1-OD1 3.4Å; T603-L928 PolarHBondContact O-N 3.02Å; T603-A929 HydrophobicContact CG2-CB 4.11Å; T603-A929 WeakPolarHBondContact OG1-CB 3.37Å
604	K	98.6	Very high	98.1	Very high	73 Å²	73	23.1 Å²	23.1	32%	0.317	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	141.6	-178.5	-55.8	170.2	-174.4	172.4	0	110.2	E214 T600 L601 G602 T896 M926 N927	E214-K604 WeakPolarHBondContact OE1-CE 3.37Å; E214-K604 IonicContact OE1-NZ 2.85Å; E214-K604 PolarHBondContact OE1-NZ 2.86Å; E214-K604 IonicContact OE2-NZ 3.33Å; E214-K604 PolarHBondContact OE2-NZ 3.34Å; T600-K604 CarbonylContact C-O 3.49Å; T600-K604 WeakPolarHBondContact CA-O 3.48Å; L601-K604 PolarHBondContact N-O 2.94Å; L601-K604 VanDerWaalsContact O-CB 3.3Å; L601-K604 WeakPolarHBondContact O-CB 3.36Å; L601-K604 PolarHBondContact O-N 2.73Å; G602-K604 VanDerWaalsContact C-N 3.34Å; K604-T896 WeakPolarHBondContact O-CG2 3.43Å; K604-M926 CarbonylContact C-O 3.54Å; K604-M926 VanDerWaalsContact CA-O 3.28Å; K604-M926 WeakPolarHBondContact CA-O 3.48Å; K604-N927 HydrophobicContact CG-CB 4.2Å
605	G	98.1	Very high	98.1	Very high	8 Å²	8	22.3 Å²	22.3	8%	0.082	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	151	175.3	0	0	0	0	0	112.2	G599 M926	G599-G605 VanDerWaalsContact O-CA 3.29Å; G599-G605 WeakPolarHBondContact O-CA 3.24Å; G605-M926 PolarHBondContact N-O 3.16Å; G605-M926 PolarHBondContact O-N 2.88Å
606	N	98.1	Very high	98	Very high	56 Å²	56	23.2 Å²	23.2	30%	0.299	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	150.8	174.8	72.4	-74.1	0	0	0	111.5	S598 G599 G924 F925	S598-N606 WeakPolarHBondContact CA-O 3.32Å; G599-N606 WeakPolarHBondContact CA-OD1 3.16Å; G599-N606 PolarHBondContact N-O 2.79Å; G599-N606 PolarHBondContact O-N 2.88Å; N606-G924 CarbonylContact C-O 3.39Å; N606-G924 WeakPolarHBondContact CA-O 3.47Å; N606-F925 HydrophobicContact CB-CD1 4.07Å; N606-F925 HydrophobicContact CB-CE1 4.38Å
607	I	98	Very high	97.9	Very high	5 Å²	5	23.5 Å²	23.5	3%	0.026	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	143.1	167.8	66.4	160.2	0	0	0	109.4	E597 V900 L903 V904 E907 N923 G924	E597-I607 WeakPolarHBondContact O-CA 3.33Å; I607-V900 HydrophobicContact CG2-CG1 3.72Å; I607-L903 HydrophobicContact CD1-CB 3.66Å; I607-L903 HydrophobicContact CG1-CB 4.43Å; I607-L903 HydrophobicContact CG2-CB 4.22Å; I607-V904 HydrophobicContact CB-CG2 4.21Å; I607-V904 HydrophobicContact CG2-CG2 3.49Å; I607-V904 VanDerWaalsContact CG2-CG2 3.49Å; I607-E907 HydrophobicContact CD1-CG 4.05Å; I607-N923 WeakPolarHBondContact O-CA 3.43Å; I607-G924 PolarHBondContact N-O 2.83Å; I607-G924 PolarHBondContact O-N 3.37Å; I607-G924 VanDerWaalsContact O-N 3.16Å
608	Q	98.3	Very high	97.8	Very high	21 Å²	21	24.3 Å²	24.3	10%	0.098	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	134.5	172	-176.5	175.5	9	0	0	109.5	E597 N923	E597-Q608 HydrophobicContact CB-CB 4.32Å; E597-Q608 PolarHBondContact N-O 2.99Å; E597-Q608 PolarHBondContact O-N 3.05Å; Q608-N923 WeakPolarHBondContact CA-OD1 3.33Å
609	V	97.9	Very high	97.6	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.012	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	130.3	176.6	62.1	0	0	0	0	110.2	L596 I611 E907 I911 F921 N923 P938	L596-V609 HydrophobicContact CD2-CG2 4.2Å; V609-I611 HydrophobicContact CG2-CD1 3.42Å; V609-I611 VanDerWaalsContact CG2-CD1 3.42Å; V609-I611 HydrophobicContact CG2-CG1 3.88Å; V609-E907 HydrophobicContact CG2-CB 4.5Å; V609-I911 HydrophobicContact CG2-CD1 3.95Å; V609-I911 HydrophobicContact CG2-CG1 4.41Å; V609-F921 HydrophobicContact CG1-CB 3.89Å; V609-F921 HydrophobicContact CG1-CD1 4.04Å; V609-F921 HydrophobicContact CG1-CG 4.26Å; V609-F921 HydrophobicContact CG2-CD1 4.13Å; V609-F921 HydrophobicContact CG2-CE1 4.47Å; V609-N923 PolarHBondContact N-OD1 3.15Å; V609-N923 VanDerWaalsContact N-OD1 3.1Å; V609-P938 HydrophobicContact CG1-CG 3.64Å
610	V	98.6	Very high	97.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	111	-179.5	174.8	0	0	0	0	108.7	P594 L595 T615 W954	P594-V610 WeakPolarHBondContact CA-O 3.35Å; L595-V610 HydrophobicContact CB-CB 4.13Å; L595-V610 PolarHBondContact N-O 2.95Å; L595-V610 PolarHBondContact O-N 3.14Å; V610-T615 WeakPolarHBondContact CA-OG1 3.42Å; V610-W954 HydrophobicContact CG1-CH2 3.71Å; V610-W954 HydrophobicContact CG1-CZ2 3.62Å
611	I	98.5	Very high	96.8	Very high	7 Å²	7	29.9 Å²	29.9	4%	0.036	17%	0.167	C	C	.	.			trans	-112.6	122	-174.4	-52.7	-58.6	0	0	0	110.3	P594 V609 F613 V614 T615 I911 F921	P594-I611 HydrophobicContact CB-CD1 4.31Å; V609-I611 HydrophobicContact CG2-CD1 3.42Å; V609-I611 VanDerWaalsContact CG2-CD1 3.42Å; V609-I611 HydrophobicContact CG2-CG1 3.88Å; I611-F613 PolarHBondContact O-N 3.34Å; I611-V614 HydrophobicContact CB-CB 4.02Å; I611-V614 HydrophobicContact CG2-CB 3.89Å; I611-V614 HydrophobicContact CG2-CG2 3.84Å; I611-V614 PolarHBondContact O-N 2.94Å; I611-V614 VanDerWaalsContact O-N 3.1Å; I611-T615 HydrophobicContact CB-CG2 4.08Å; I611-T615 HydrophobicContact CG1-CG2 4.21Å; I611-T615 PolarHBondContact N-OG1 3.14Å; I611-T615 PolarHBondContact O-N 3.1Å; I611-T615 VanDerWaalsContact O-N 3.11Å; I611-I911 HydrophobicContact CD1-CD1 3.96Å; I611-I911 HydrophobicContact CD1-CG1 3.58Å; I611-F921 HydrophobicContact CD1-CD1 4.33Å; I611-F921 HydrophobicContact CD1-CE1 3.71Å; I611-F921 HydrophobicContact CD1-CZ 3.92Å; I611-F921 HydrophobicContact CG1-CD1 4.17Å; I611-F921 HydrophobicContact CG1-CD2 4.38Å; I611-F921 HydrophobicContact CG1-CE1 3.8Å; I611-F921 HydrophobicContact CG1-CE2 4.03Å; I611-F921 HydrophobicContact CG1-CG 4.44Å; I611-F921 HydrophobicContact CG1-CZ 3.72Å; I611-F921 HydrophobicContact CG2-CZ 4.45Å
612	P	98.3	Very high	96.3	Very high	14 Å²	14	34.6 Å²	34.6	9%	0.091	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	131.9	178.1	-27.8	34.1	0	0	0	112.7	R592 V614 W954	R592-P612 HydrophobicContact CB-CB 4.37Å; R592-P612 WeakPolarHBondContact O-CG 3.46Å; P612-V614 PolarHBondContact O-N 2.91Å; P612-W954 HydrophobicContact CB-CD2 4.3Å; P612-W954 HydrophobicContact CB-CE3 3.87Å; P612-W954 HydrophobicContact CB-CH2 4.25Å; P612-W954 HydrophobicContact CB-CZ3 3.81Å; P612-W954 HydrophobicContact CG-CE3 4.39Å; P612-W954 HydrophobicContact CG-CH2 4.04Å; P612-W954 HydrophobicContact CG-CZ3 3.82Å
613	F	97.6	Very high	95.6	Very high	107 Å²	107	38.9 Å²	38.9	47%	0.469	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	12.4	179.1	-48.7	-82.1	0	0	0	115.4	R592 I611 W954	R592-F613 HydrophobicContact CB-CE2 4.27Å; R592-F613 HydrophobicContact CG-CE2 4Å; R592-F613 HydrophobicContact CG-CZ 3.86Å; R592-F613 VanDerWaalsContact NE-CZ 3.34Å; I611-F613 PolarHBondContact O-N 3.34Å; F613-W954 HydrophobicContact CD1-CB 3.49Å; F613-W954 VanDerWaalsContact CD1-CB 3.49Å; F613-W954 HydrophobicContact CD1-CG 4.37Å; F613-W954 HydrophobicContact CE1-CB 3.79Å; F613-W954 HydrophobicContact CG-CB 4.06Å; F613-W954 VanDerWaalsContact N-CD1 3.26Å
614	V	97.8	Very high	94.7	Very high	22 Å²	22	44 Å²	44	13%	0.133	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.1	-57.7	-178.6	178.9	0	0	0	0	110.5	I611 P612 K916 L918 A940 A941	I611-V614 HydrophobicContact CB-CB 4.02Å; I611-V614 HydrophobicContact CG2-CB 3.89Å; I611-V614 HydrophobicContact CG2-CG2 3.84Å; I611-V614 PolarHBondContact O-N 2.94Å; I611-V614 VanDerWaalsContact O-N 3.1Å; P612-V614 PolarHBondContact O-N 2.91Å; V614-K916 HydrophobicContact CG2-CD 4.33Å; V614-L918 HydrophobicContact CG1-CD2 3.63Å; V614-L918 HydrophobicContact CG1-CG 3.95Å; V614-A940 WeakPolarHBondContact O-CA 3.43Å; V614-A941 PolarHBondContact O-N 3.4Å
615	T	98.2	Very high	93.8	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.006	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-105.3	166.8	-172.1	69.4	0	0	0	0	112.3	V610 I611 L918 P938 I939 A941 W954	V610-T615 WeakPolarHBondContact CA-OG1 3.42Å; I611-T615 HydrophobicContact CB-CG2 4.08Å; I611-T615 HydrophobicContact CG1-CG2 4.21Å; I611-T615 PolarHBondContact N-OG1 3.14Å; I611-T615 PolarHBondContact O-N 3.1Å; I611-T615 VanDerWaalsContact O-N 3.11Å; T615-L918 HydrophobicContact CG2-CD2 3.94Å; T615-P938 HydrophobicContact CG2-CB 3.62Å; T615-P938 HydrophobicContact CG2-CG 4.22Å; T615-I939 CarbonylContact C-O 3.51Å; T615-I939 VanDerWaalsContact CA-O 3.28Å; T615-I939 WeakPolarHBondContact CA-O 3.45Å; T615-A941 VanDerWaalsContact C-N 3.34Å; T615-A941 WeakPolarHBondContact O-CB 3.17Å; T615-W954 PolarHBondContact O-NE1 3.07Å
616	E	97.3	Very high	92.8	Very high	19 Å²	19	52.7 Å²	52.7	9%	0.089	29%	0.29	C	S	.	.			trans	-60.3	170.7	160.5	72.8	175.2	-172.8	0	0	112.3	I939	E616-I939 HydrophobicContact CG-CB 4.02Å; E616-I939 PolarHBondContact N-O 3.04Å
617	S	97.6	Very high	91.6	Very high	10 Å²	10	60.1 Å²	60.1	7%	0.07	32%	0.32	C	S	.	.			trans	-95.2	167.9	174.2	71	0	0	0	0	111.3	D585 S619 S620	D585-S617 WeakPolarHBondContact OD1-CB 3.29Å; S617-S619 PolarHBondContact O-N 3.09Å; S617-S620 PolarHBondContact N-OG 2.85Å; S617-S620 VanDerWaalsContact O-CB 3.31Å; S617-S620 WeakPolarHBondContact O-CB 3.46Å; S617-S620 PolarHBondContact O-N 3.34Å; S617-S620 PolarHBondContact O-OG 3.42Å; S617-S620 PolarHBondContact OG-N 2.86Å; S617-S620 PolarHBondContact OG-OG 3.34Å
618	Y	96.4	Very high	90.7	Very high	19 Å²	19	65.1 Å²	65.1	8%	0.075	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-59.6	-39.4	174.2	175.8	-100	0	0	0	111.2	R581 M582 D585 E597 S620 D623	R581-Y618 HydrophobicContact CB-CD1 4.12Å; R581-Y618 HydrophobicContact CB-CE1 3.65Å; M582-Y618 HydrophobicContact CG-CD1 4.44Å; M582-Y618 HydrophobicContact CG-CE1 4.16Å; M582-Y618 HydrophobicContact SD-CD1 3.66Å; M582-Y618 HydrophobicContact SD-CE1 3.7Å; D585-Y618 WeakPolarHBondContact OD1-CB 3.32Å; D585-Y618 PolarHBondContact OD1-N 3.39Å; D585-Y618 PolarHBondContact OD2-N 3.18Å; E597-Y618 HydrophobicContact CG-CD2 3.84Å; E597-Y618 HydrophobicContact CG-CE2 4.08Å; Y618-S620 PolarHBondContact O-N 2.84Å; Y618-D623 PolarHBondContact OH-OD2 2.97Å
619	S	94.1	Very high	90.1	Very high	40 Å²	40	66.4 Å²	66.4	28%	0.28	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-71.8	-5.5	-179.7	-53.4	0	0	0	0	114.6	M582 D585 S617 S621	M582-S619 VanDerWaalsContact CE-CB 3.41Å; M582-S619 WeakPolarHBondContact CE-OG 2.88Å; M582-S619 PolarHBondContact SD-OG 3.21Å; D585-S619 WeakPolarHBondContact OD2-CB 3.36Å; D585-S619 PolarHBondContact OD2-N 3.19Å; D585-S619 PolarHBondContact OD2-OG 3.3Å; S617-S619 PolarHBondContact O-N 3.09Å; S619-S621 VanDerWaalsContact C-N 3.34Å
620	S	91.3	Very high	89.6	Confident	56 Å²	56	69.3 Å²	69.3	39%	0.392	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-76.9	-22.2	-177.9	-62.4	0	0	0	0	113	S617 Y618	S617-S620 PolarHBondContact N-OG 2.85Å; S617-S620 VanDerWaalsContact O-CB 3.31Å; S617-S620 WeakPolarHBondContact O-CB 3.46Å; S617-S620 PolarHBondContact O-N 3.34Å; S617-S620 PolarHBondContact O-OG 3.42Å; S617-S620 PolarHBondContact OG-N 2.86Å; S617-S620 PolarHBondContact OG-OG 3.34Å; Y618-S620 PolarHBondContact O-N 2.84Å
621	S	86.6	Confident	89	Confident	61 Å²	61	73.1 Å²	73.1	43%	0.427	40%	0.401	S	S	.	.	S	Bend	trans	-110.4	153.5	176.4	47.7	0	0	0	0	111	S619	S619-S621 VanDerWaalsContact C-N 3.34Å
622	Q	84.8	Confident	88.4	Confident	186 Å²	186	73.1 Å²	73.1	87%	0.869	40%	0.401	S	S	*	.			trans	-113	117.2	-177.6	-171.5	173.3	26	0	0	110.7
623	D	82.4	Confident	87.9	Confident	99 Å²	99	73.8 Å²	73.8	53%	0.529	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-73.7	147.6	168.5	-73.9	-42.7	0	0	0	111	Y618	Y618-D623 PolarHBondContact OH-OD2 2.97Å
624	P	80.4	Confident	87.5	Confident	119 Å²	119	69.6 Å²	69.6	77%	0.773	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-55.7	130.4	172.3	-23.4	33.1	0	0	0	110.9
625	P	79.6	Confident	87.1	Confident	110 Å²	110	74.3 Å²	74.3	71%	0.714	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-65.7	154.2	178.8	27.7	-34.4	0	0	0	111.1	K627	P625-K627 PolarHBondContact O-N 3.14Å
626	E	76.2	Confident	86.8	Confident	152 Å²	152	75.7 Å²	75.7	71%	0.71	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-53.7	133.3	167.8	-73.5	-172.1	-177	0	0	109.6	S628 K888	E626-S628 PolarHBondContact O-N 3.3Å; E626-S628 VanDerWaalsContact O-N 3.12Å; E626-K888 IonicContact OE2-NZ 2.76Å; E626-K888 PolarHBondContact OE2-NZ 3.09Å
627	K	73.6	Confident	86.6	Confident	212 Å²	212	75.2 Å²	75.2	92%	0.922	41%	0.411	S	S	*	.			trans	-64.1	115.4	173.9	-69.7	-176.9	180	178.5	0	108.8	P625	P625-K627 PolarHBondContact O-N 3.14Å
628	S	79.4	Confident	86.5	Confident	110 Å²	110	74.7 Å²	74.7	77%	0.769	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-84.1	139.6	170.8	54.9	0	0	0	0	110.5	E626	E626-S628 PolarHBondContact O-N 3.3Å; E626-S628 VanDerWaalsContact O-N 3.12Å
629	I	85.6	Confident	86.2	Confident	48 Å²	48	75.3 Å²	75.3	25%	0.246	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-83.8	132.2	174	-56.9	163.1	0	0	0	107.7	T633 L634 Q646	I629-T633 HydrophobicContact CG2-CG2 3.94Å; I629-L634 HydrophobicContact CB-CD1 4.23Å; I629-L634 HydrophobicContact CB-CD2 3.97Å; I629-L634 HydrophobicContact CB-CG 4Å; I629-L634 HydrophobicContact CD1-CD2 3.91Å; I629-L634 HydrophobicContact CG2-CD1 4.44Å; I629-L634 HydrophobicContact CG2-CD2 3.64Å; I629-L634 HydrophobicContact CG2-CG 3.68Å; I629-Q646 HydrophobicContact CD1-CB 4.07Å; I629-Q646 HydrophobicContact CD1-CG 4.4Å
630	P	86.6	Confident	86	Confident	63 Å²	63	74.7 Å²	74.7	41%	0.409	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-55.3	142.2	176.3	-25.6	34.1	0	0	0	112.3	C632 T633 L634 D811	P630-C632 VanDerWaalsContact C-N 3.33Å; P630-C632 PolarHBondContact O-N 3.41Å; P630-T633 WeakPolarHBondContact O-CB 3.29Å; P630-T633 PolarHBondContact O-N 3.39Å; P630-T633 VanDerWaalsContact O-N 3.09Å; P630-L634 PolarHBondContact O-N 3.22Å; P630-L634 VanDerWaalsContact O-N 3.12Å; P630-D811 WeakPolarHBondContact CA-OD2 3.5Å
631	I	85.8	Confident	86.1	Confident	80 Å²	80	72.4 Å²	72.4	41%	0.41	39%	0.393	S	S	.	.	H	α-helix	trans	-64	-40.4	-174.3	-64.9	171.8	0	0	0	110.7	T633 L634 K635 D811 L814	I631-T633 VanDerWaalsContact C-N 3.28Å; I631-T633 PolarHBondContact O-N 2.51Å; I631-L634 PolarHBondContact O-N 3.37Å; I631-K635 HydrophobicContact CG2-CD 3.83Å; I631-K635 HydrophobicContact CG2-CG 4.13Å; I631-K635 WeakPolarHBondContact O-CB 3.07Å; I631-K635 WeakPolarHBondContact O-CG 3.17Å; I631-K635 PolarHBondContact O-N 2.91Å; I631-D811 PolarHBondContact N-OD1 3.38Å; I631-D811 VanDerWaalsContact N-OD1 3.11Å; I631-D811 PolarHBondContact N-OD2 2.82Å; I631-L814 HydrophobicContact CB-CD2 4.27Å; I631-L814 HydrophobicContact CD1-CD2 4.47Å; I631-L814 HydrophobicContact CG2-CD2 3.8Å
632	C	86.4	Confident	86.4	Confident	7 Å²	7	73 Å²	73	5%	0.047	39%	0.389	C	S	.	.	H	α-helix	trans	-61.5	-35.8	175.8	-80.1	0	0	0	0	112.6	P630 N636 F637 H808 S810 D811	P630-C632 VanDerWaalsContact C-N 3.33Å; P630-C632 PolarHBondContact O-N 3.41Å; C632-N636 PolarHBondContact O-N 2.85Å; C632-F637 PolarHBondContact O-N 3.26Å; C632-H808 PolarHBondContact SG-O 2.82Å; C632-S810 PolarHBondContact SG-O 3.39Å; C632-S810 VanDerWaalsContact SG-O 3.39Å; C632-D811 WeakPolarHBondContact CB-OD1 3.4Å; C632-D811 PolarHBondContact N-OD1 2.89Å
633	T	88.8	Confident	86.9	Confident	29 Å²	29	65.6 Å²	65.6	18%	0.178	35%	0.354	C	S	.	.	H	α-helix	trans	-65.9	-46.8	175.6	-58.2	0	0	0	0	110.8	I629 P630 I631 F637 P638 H643	I629-T633 HydrophobicContact CG2-CG2 3.94Å; P630-T633 WeakPolarHBondContact O-CB 3.29Å; P630-T633 PolarHBondContact O-N 3.39Å; P630-T633 VanDerWaalsContact O-N 3.09Å; I631-T633 VanDerWaalsContact C-N 3.28Å; I631-T633 PolarHBondContact O-N 2.51Å; T633-F637 WeakPolarHBondContact CG2-O 3.4Å; T633-F637 CarbonylContact O-C 3.59Å; T633-F637 PolarHBondContact O-N 3.25Å; T633-P638 VanDerWaalsContact O-N 3.08Å; T633-H643 VanDerWaalsContact CG2-CE1 3.43Å; T633-H643 WeakPolarHBondContact CG2-CE1 3.47Å; T633-H643 WeakPolarHBondContact CG2-ND1 3.38Å
634	L	89.8	Confident	87.6	Confident	18 Å²	18	60.9 Å²	60.9	9%	0.094	33%	0.329	C	S	.	.	H	α-helix	trans	-63.1	-46	176.3	-67.1	177.7	0	0	0	112	I629 P630 I631 H643 Q646 R868	I629-L634 HydrophobicContact CB-CD1 4.23Å; I629-L634 HydrophobicContact CB-CD2 3.97Å; I629-L634 HydrophobicContact CB-CG 4Å; I629-L634 HydrophobicContact CD1-CD2 3.91Å; I629-L634 HydrophobicContact CG2-CD1 4.44Å; I629-L634 HydrophobicContact CG2-CD2 3.64Å; I629-L634 HydrophobicContact CG2-CG 3.68Å; P630-L634 PolarHBondContact O-N 3.22Å; P630-L634 VanDerWaalsContact O-N 3.12Å; I631-L634 PolarHBondContact O-N 3.37Å; L634-H643 HydrophobicContact CD2-CB 4.29Å; L634-H643 VanDerWaalsContact CD2-O 3.3Å; L634-H643 WeakPolarHBondContact CD2-O 3.48Å; L634-Q646 HydrophobicContact CD1-CG 3.96Å; L634-Q646 HydrophobicContact CD2-CB 3.81Å; L634-Q646 HydrophobicContact CD2-CG 3.96Å; L634-R868 PolarHBondContact O-NH2 3.24Å
635	K	88.1	Confident	88.4	Confident	121 Å²	121	55.2 Å²	55.2	53%	0.526	29%	0.292	S	S	.	.	H	α-helix	trans	-74.6	-38.9	-173.9	-73.6	-170.1	177.2	-174.3	0	114.3	I631 R868	I631-K635 HydrophobicContact CG2-CD 3.83Å; I631-K635 HydrophobicContact CG2-CG 4.13Å; I631-K635 WeakPolarHBondContact O-CB 3.07Å; I631-K635 WeakPolarHBondContact O-CG 3.17Å; I631-K635 PolarHBondContact O-N 2.91Å; K635-R868 PolarHBondContact O-NH2 3.39Å
636	N	91.5	Very high	89.1	Confident	31 Å²	31	52.3 Å²	52.3	17%	0.166	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134	-29.4	-166.7	-58.7	-49.3	0	0	0	115.3	C632 P638 L725 I807 Y872	C632-N636 PolarHBondContact O-N 2.85Å; N636-P638 VanDerWaalsContact C-CD 3.47Å; N636-L725 HydrophobicContact CB-CD1 4.46Å; N636-I807 HydrophobicContact CB-CG2 4.45Å; N636-I807 WeakPolarHBondContact ND2-CG2 3.33Å; N636-Y872 VanDerWaalsContact O-CE1 3.3Å; N636-Y872 WeakPolarHBondContact O-CE1 3.46Å; N636-Y872 PolarHBondContact O-OH 2.71Å
637	F	93.9	Very high	90.1	Very high	8 Å²	8	46 Å²	46	4%	0.035	24%	0.239	C	C	.	.			trans	-131.4	56.4	-169.2	-47.2	-68.6	0	0	0	113.4	C632 T633 L725 F729 F741 W742 K746 V809	C632-F637 PolarHBondContact O-N 3.26Å; T633-F637 WeakPolarHBondContact CG2-O 3.4Å; T633-F637 CarbonylContact O-C 3.59Å; T633-F637 PolarHBondContact O-N 3.25Å; F637-L725 HydrophobicContact CE1-CD1 4.36Å; F637-F729 HydrophobicContact CZ-CE2 4.36Å; F637-F741 HydrophobicContact CE1-CE1 4.03Å; F637-F741 AromaticContact CE1-CZ 3.98Å; F637-F741 HydrophobicContact CE1-CZ 3.98Å; F637-F741 HydrophobicContact CZ-CZ 4.09Å; F637-W742 HydrophobicContact CD1-CH2 4.21Å; F637-W742 AromaticContact CD1-CZ3 3.81Å; F637-W742 HydrophobicContact CD1-CZ3 3.81Å; F637-W742 AromaticContact CE1-CH2 3.96Å; F637-W742 HydrophobicContact CE1-CH2 3.96Å; F637-W742 AromaticContact CE1-CZ3 3.98Å; F637-W742 HydrophobicContact CE1-CZ3 3.98Å; F637-K746 HydrophobicContact CB-CG 4.38Å; F637-K746 HydrophobicContact CD1-CD 4.3Å; F637-K746 HydrophobicContact CD1-CG 4.34Å; F637-K746 HydrophobicContact CG-CG 4.36Å; F637-V809 HydrophobicContact CE2-CG1 4.45Å
638	P	94.7	Very high	91.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.195	C	C	.	.			trans	-65.8	149	173.2	31.4	-36.7	0	0	0	110.6	T633 N636 H643 T644 Y872 I874	T633-P638 VanDerWaalsContact O-N 3.08Å; N636-P638 VanDerWaalsContact C-CD 3.47Å; P638-H643 HydrophobicContact CB-CB 3.75Å; P638-T644 HydrophobicContact CB-CG2 3.95Å; P638-T644 HydrophobicContact CG-CG2 4.28Å; P638-Y872 HydrophobicContact CG-CD1 3.91Å; P638-Y872 HydrophobicContact CG-CD2 3.59Å; P638-Y872 HydrophobicContact CG-CE1 4Å; P638-Y872 HydrophobicContact CG-CE2 3.71Å; P638-Y872 HydrophobicContact CG-CG 3.7Å; P638-I874 HydrophobicContact CB-CD1 3.93Å; P638-I874 HydrophobicContact CG-CD1 4.28Å
639	N	90.2	Very high	92.1	Very high	32 Å²	32	32.7 Å²	32.7	17%	0.171	17%	0.166	C	C	.	.			trans	-138.5	-9.3	175.6	55.8	61.7	0	0	0	113.3	H643 P745 R747	N639-H643 PolarHBondContact N-ND1 2.71Å; N639-H643 PolarHBondContact OD1-CE1 2.8Å; N639-P745 WeakPolarHBondContact CB-O 3.33Å; N639-P745 PolarHBondContact ND2-O 3.1Å; N639-R747 HydrophobicContact CB-CG 4.16Å
640	A	90.8	Very high	92.5	Very high	26 Å²	26	34.2 Å²	34.2	22%	0.215	18%	0.175	C	C	.	.	S	Bend	trans	-134.5	156.8	178.4	0	0	0	0	0	109.9	E642 H643	A640-E642 VanDerWaalsContact CB-OE2 3.32Å; A640-E642 WeakPolarHBondContact CB-OE2 3.22Å; A640-E642 PolarHBondContact O-N 3.29Å; A640-H643 WeakPolarHBondContact O-CB 3.19Å; A640-H643 PolarHBondContact O-N 2.65Å
641	I	93.9	Very high	93	Very high	9 Å²	9	33 Å²	33	5%	0.046	16%	0.164	C	C	.	.	H	α-helix	trans	-66.4	-26.7	-175.9	-166.9	67	0	0	0	112.2	H643 T644 L645 A869 I874 A877	I641-H643 PolarHBondContact O-N 3.35Å; I641-T644 WeakPolarHBondContact CD1-OG1 3.49Å; I641-T644 PolarHBondContact O-N 3.08Å; I641-T644 PolarHBondContact O-OG1 3.12Å; I641-L645 HydrophobicContact CG1-CD1 3.97Å; I641-L645 HydrophobicContact CG1-CG 4.33Å; I641-L645 WeakPolarHBondContact O-CB 3.49Å; I641-L645 VanDerWaalsContact O-CG 3.31Å; I641-L645 WeakPolarHBondContact O-CG 3.34Å; I641-L645 PolarHBondContact O-N 3.39Å; I641-A869 HydrophobicContact CD1-CB 3.86Å; I641-I874 HydrophobicContact CB-CG2 4.27Å; I641-A877 HydrophobicContact CD1-CB 4.17Å; I641-A877 HydrophobicContact CG1-CB 3.58Å
642	E	93.3	Very high	93.6	Very high	73 Å²	73	29.2 Å²	29.2	34%	0.341	14%	0.144	S	C	.	.	H	α-helix	trans	-60.1	-35.4	173.9	-64.4	70.6	-160	0	0	111.2	A640 Q646 I885	A640-E642 VanDerWaalsContact CB-OE2 3.32Å; A640-E642 WeakPolarHBondContact CB-OE2 3.22Å; A640-E642 PolarHBondContact O-N 3.29Å; E642-Q646 WeakPolarHBondContact O-CB 3.36Å; E642-Q646 PolarHBondContact O-N 3.47Å; E642-I885 HydrophobicContact CB-CG2 4.5Å; E642-I885 HydrophobicContact CG-CD1 4.01Å; E642-I885 HydrophobicContact CG-CG2 4.46Å
643	H	94.9	Very high	94.1	Very high	30 Å²	30	30.4 Å²	30.4	14%	0.139	15%	0.149	C	C	.	.	H	α-helix	trans	-69.9	-42.3	179	-55.9	170.2	0	0	0	111.2	T633 L634 P638 N639 A640 I641 W647	T633-H643 VanDerWaalsContact CG2-CE1 3.43Å; T633-H643 WeakPolarHBondContact CG2-CE1 3.47Å; T633-H643 WeakPolarHBondContact CG2-ND1 3.38Å; L634-H643 HydrophobicContact CD2-CB 4.29Å; L634-H643 VanDerWaalsContact CD2-O 3.3Å; L634-H643 WeakPolarHBondContact CD2-O 3.48Å; P638-H643 HydrophobicContact CB-CB 3.75Å; N639-H643 PolarHBondContact N-ND1 2.71Å; N639-H643 PolarHBondContact OD1-CE1 2.8Å; A640-H643 WeakPolarHBondContact O-CB 3.19Å; A640-H643 PolarHBondContact O-N 2.65Å; I641-H643 PolarHBondContact O-N 3.35Å; H643-W647 WeakPolarHBondContact O-CB 3.37Å; H643-W647 PolarHBondContact O-N 3.28Å
644	T	97.3	Very high	94.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-73.9	-31.5	179.3	59.1	0	0	0	0	112	P638 I641 A648 S865 R868 I874	P638-T644 HydrophobicContact CB-CG2 3.95Å; P638-T644 HydrophobicContact CG-CG2 4.28Å; I641-T644 WeakPolarHBondContact CD1-OG1 3.49Å; I641-T644 PolarHBondContact O-N 3.08Å; I641-T644 PolarHBondContact O-OG1 3.12Å; T644-A648 VanDerWaalsContact O-CB 3.3Å; T644-A648 WeakPolarHBondContact O-CB 3.33Å; T644-A648 PolarHBondContact O-N 3.48Å; T644-S865 WeakPolarHBondContact CB-OG 3.19Å; T644-S865 PolarHBondContact OG1-OG 3.26Å; T644-R868 HydrophobicContact CG2-CB 4.06Å; T644-R868 HydrophobicContact CG2-CG 3.91Å; T644-I874 HydrophobicContact CG2-CD1 4.06Å
645	L	96.6	Very high	94.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-70.4	-43.9	174.8	-75.6	166.5	0	0	0	112.5	I641 W647 A648 R649 I861 S865 I885	I641-L645 HydrophobicContact CG1-CD1 3.97Å; I641-L645 HydrophobicContact CG1-CG 4.33Å; I641-L645 WeakPolarHBondContact O-CB 3.49Å; I641-L645 VanDerWaalsContact O-CG 3.31Å; I641-L645 WeakPolarHBondContact O-CG 3.34Å; I641-L645 PolarHBondContact O-N 3.39Å; L645-W647 VanDerWaalsContact C-N 3.33Å; L645-A648 PolarHBondContact O-N 3.31Å; L645-R649 WeakPolarHBondContact O-CB 3.41Å; L645-R649 PolarHBondContact O-N 3.14Å; L645-I861 HydrophobicContact CD2-CG2 4.06Å; L645-S865 WeakPolarHBondContact CD2-OG 3.45Å; L645-S865 WeakPolarHBondContact CG-OG 3.49Å; L645-S865 PolarHBondContact N-OG 3.02Å; L645-I885 HydrophobicContact CB-CG2 4.01Å; L645-I885 HydrophobicContact CD1-CB 3.91Å; L645-I885 HydrophobicContact CD1-CD1 3.53Å; L645-I885 HydrophobicContact CD1-CG1 4.31Å; L645-I885 HydrophobicContact CD1-CG2 4.07Å
646	Q	95	Very high	95.1	Very high	50 Å²	50	25.5 Å²	25.5	23%	0.234	13%	0.134	C	C	.	.	H	α-helix	trans	-63	-42.7	173.3	-177.1	61	58	0	0	110.7	I629 L634 E642 A648 R649 D650	I629-Q646 HydrophobicContact CD1-CB 4.07Å; I629-Q646 HydrophobicContact CD1-CG 4.4Å; L634-Q646 HydrophobicContact CD1-CG 3.96Å; L634-Q646 HydrophobicContact CD2-CB 3.81Å; L634-Q646 HydrophobicContact CD2-CG 3.96Å; E642-Q646 WeakPolarHBondContact O-CB 3.36Å; E642-Q646 PolarHBondContact O-N 3.47Å; Q646-A648 PolarHBondContact O-N 3.34Å; Q646-R649 PolarHBondContact O-N 3.21Å; Q646-D650 PolarHBondContact NE2-OD1 3.32Å; Q646-D650 VanDerWaalsContact O-CG 3.27Å; Q646-D650 PolarHBondContact O-N 3.33Å
647	W	96.9	Very high	95.3	Very high	18 Å²	18	25.9 Å²	25.9	7%	0.068	13%	0.134	C	C	.	.	H	α-helix	trans	-58.2	-45.4	173	172.8	85.6	0	0	0	112.2	H643 L645 R649 D650 E651 Q717 Y718 A864 R868	H643-W647 WeakPolarHBondContact O-CB 3.37Å; H643-W647 PolarHBondContact O-N 3.28Å; L645-W647 VanDerWaalsContact C-N 3.33Å; W647-R649 VanDerWaalsContact C-N 3.3Å; W647-R649 PolarHBondContact O-N 3.33Å; W647-D650 PolarHBondContact O-N 3.34Å; W647-E651 HydrophobicContact CD2-CG 3.85Å; W647-E651 VanDerWaalsContact CE2-CG 3.45Å; W647-E651 HydrophobicContact CE3-CG 4.14Å; W647-E651 HydrophobicContact CH2-CG 3.76Å; W647-E651 HydrophobicContact CZ2-CG 3.43Å; W647-E651 VanDerWaalsContact CZ2-CG 3.43Å; W647-E651 HydrophobicContact CZ3-CG 4.09Å; W647-E651 WeakPolarHBondContact O-CG 3.49Å; W647-E651 PolarHBondContact O-N 2.95Å; W647-Q717 HydrophobicContact CH2-CB 4.49Å; W647-Y718 AromaticContact CH2-CE1 3.94Å; W647-Y718 HydrophobicContact CH2-CE1 3.94Å; W647-Y718 AromaticContact CH2-CZ 3.99Å; W647-Y718 HydrophobicContact CZ3-CE1 4.17Å; W647-A864 HydrophobicContact CZ3-CB 4.24Å; W647-A864 WeakPolarHBondContact CZ3-O 3.34Å; W647-R868 VanDerWaalsContact CE2-NH1 3.35Å; W647-R868 HydrophobicContact CE3-CB 4.32Å; W647-R868 HydrophobicContact CE3-CG 4.45Å; W647-R868 HydrophobicContact CZ3-CB 4.2Å
648	A	97.8	Very high	95.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.4	-34.2	179.5	0	0	0	0	0	112.3	T644 L645 Q646 E651 F652 I861 A864	T644-A648 VanDerWaalsContact O-CB 3.3Å; T644-A648 WeakPolarHBondContact O-CB 3.33Å; T644-A648 PolarHBondContact O-N 3.48Å; L645-A648 PolarHBondContact O-N 3.31Å; Q646-A648 PolarHBondContact O-N 3.34Å; A648-E651 PolarHBondContact O-N 3.41Å; A648-F652 PolarHBondContact O-N 3.47Å; A648-I861 HydrophobicContact CB-CG2 4.16Å; A648-A864 HydrophobicContact CB-CB 3.95Å
649	R	96	Very high	95.3	Very high	44 Å²	44	31 Å²	31	17%	0.166	16%	0.161	C	C	.	.	H	α-helix	trans	-67.7	-39	173.8	-178.8	63.2	-171.7	85.6	1.2	112	L645 Q646 W647 F652 E653 I861	L645-R649 WeakPolarHBondContact O-CB 3.41Å; L645-R649 PolarHBondContact O-N 3.14Å; Q646-R649 PolarHBondContact O-N 3.21Å; W647-R649 VanDerWaalsContact C-N 3.3Å; W647-R649 PolarHBondContact O-N 3.33Å; R649-F652 PolarHBondContact O-N 2.86Å; R649-E653 IonicContact CZ-OE2 3.53Å; R649-E653 IonicContact NH1-OE2 3.88Å; R649-E653 PolarHBondContact NH1-OE2 3.3Å; R649-E653 IonicContact NH2-OE2 3.98Å; R649-E653 PolarHBondContact NH2-OE2 3.1Å; R649-E653 PolarHBondContact O-N 3.13Å; R649-E653 VanDerWaalsContact O-N 3.08Å; R649-I861 HydrophobicContact CB-CD1 4.48Å
650	D	95.1	Very high	95.4	Very high	79 Å²	79	29.6 Å²	29.6	42%	0.422	15%	0.154	S	C	.	.	H	α-helix	trans	-67.8	-40.3	175.2	-65.9	-9.9	0	0	0	111	Q646 W647 E653 G654	Q646-D650 PolarHBondContact NE2-OD1 3.32Å; Q646-D650 VanDerWaalsContact O-CG 3.27Å; Q646-D650 PolarHBondContact O-N 3.33Å; W647-D650 PolarHBondContact O-N 3.34Å; D650-E653 PolarHBondContact O-N 3.17Å; D650-G654 PolarHBondContact O-N 3.39Å
651	E	96.9	Very high	95.6	Very high	39 Å²	39	30.6 Å²	30.6	18%	0.182	15%	0.154	C	C	.	.	H	α-helix	trans	-61.1	-44.6	173	-73.5	-77.8	113.5	0	0	111.4	W647 A648 E653 G654 L655 H713 Q717 F860	W647-E651 HydrophobicContact CD2-CG 3.85Å; W647-E651 VanDerWaalsContact CE2-CG 3.45Å; W647-E651 HydrophobicContact CE3-CG 4.14Å; W647-E651 HydrophobicContact CH2-CG 3.76Å; W647-E651 HydrophobicContact CZ2-CG 3.43Å; W647-E651 VanDerWaalsContact CZ2-CG 3.43Å; W647-E651 HydrophobicContact CZ3-CG 4.09Å; W647-E651 WeakPolarHBondContact O-CG 3.49Å; W647-E651 PolarHBondContact O-N 2.95Å; A648-E651 PolarHBondContact O-N 3.41Å; E651-E653 PolarHBondContact O-N 3.15Å; E651-G654 PolarHBondContact O-N 2.77Å; E651-L655 VanDerWaalsContact O-CB 3.31Å; E651-L655 WeakPolarHBondContact O-CB 3.42Å; E651-L655 WeakPolarHBondContact O-CG 3.1Å; E651-L655 PolarHBondContact O-N 3.22Å; E651-H713 IonicContact OE2-CE1 3.06Å; E651-H713 PolarHBondContact OE2-CE1 3.38Å; E651-H713 IonicContact OE2-NE2 3.28Å; E651-Q717 PolarHBondContact OE2-NE2 3.32Å; E651-F860 HydrophobicContact CB-CE1 4.39Å; E651-F860 HydrophobicContact CB-CZ 4.43Å
652	F	97.8	Very high	95.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-57.5	-49.4	175.2	177.7	-83.4	0	0	0	111.3	A648 R649 G654 F656 L771 I846 F848 H857 F860 I861	A648-F652 PolarHBondContact O-N 3.47Å; R649-F652 PolarHBondContact O-N 2.86Å; F652-G654 PolarHBondContact O-N 2.91Å; F652-F656 HydrophobicContact CB-CD2 4.47Å; F652-F656 AromaticContact CD2-CD2 3.63Å; F652-F656 HydrophobicContact CD2-CD2 3.63Å; F652-F656 HydrophobicContact CD2-CE2 4.12Å; F652-F656 AromaticContact CE2-CD2 3.98Å; F652-F656 HydrophobicContact CE2-CD2 3.98Å; F652-F656 HydrophobicContact CG-CD2 4.07Å; F652-F656 WeakPolarHBondContact O-CD2 3.14Å; F652-F656 PolarHBondContact O-N 3.38Å; F652-L771 HydrophobicContact CD2-CD1 4.03Å; F652-L771 HydrophobicContact CE2-CD1 3.73Å; F652-L771 HydrophobicContact CE2-CD2 4.2Å; F652-I846 HydrophobicContact CZ-CG2 3.85Å; F652-F848 HydrophobicContact CD1-CB 4.25Å; F652-F848 HydrophobicContact CD1-CD2 4.2Å; F652-F848 HydrophobicContact CE1-CB 3.71Å; F652-F848 AromaticContact CE1-CD2 3.95Å; F652-F848 HydrophobicContact CE1-CD2 3.95Å; F652-F848 HydrophobicContact CE1-CG 4.31Å; F652-F848 HydrophobicContact CZ-CB 4.48Å; F652-F848 HydrophobicContact CZ-CD2 4.22Å; F652-H857 HydrophobicContact CE2-CB 3.96Å; F652-H857 AromaticContact CE2-CD2 3.68Å; F652-H857 AromaticContact CE2-CG 3.84Å; F652-H857 HydrophobicContact CZ-CB 4.17Å; F652-H857 AromaticContact CZ-CD2 3.59Å; F652-H857 AromaticContact CZ-CG 3.69Å; F652-H857 AromaticContact CZ-NE2 3.99Å; F652-F860 HydrophobicContact CB-CD1 3.94Å; F652-F860 HydrophobicContact CB-CE1 3.85Å; F652-F860 AromaticContact CD2-CD1 3.85Å; F652-F860 HydrophobicContact CD2-CD1 3.85Å; F652-F860 HydrophobicContact CD2-CE1 4.45Å; F652-F860 HydrophobicContact CD2-CG 4.5Å; F652-F860 HydrophobicContact CG-CD1 4.4Å; F652-I861 HydrophobicContact CB-CG1 4.36Å
653	E	96.3	Very high	95.4	Very high	32 Å²	32	28.4 Å²	28.4	15%	0.15	15%	0.145	C	C	.	.	H	α-helix	trans	-62.6	-43	-179.8	-164.6	72.8	-166.9	0	0	111.5	R649 D650 E651 K657 Q658	R649-E653 IonicContact CZ-OE2 3.53Å; R649-E653 IonicContact NH1-OE2 3.88Å; R649-E653 PolarHBondContact NH1-OE2 3.3Å; R649-E653 IonicContact NH2-OE2 3.98Å; R649-E653 PolarHBondContact NH2-OE2 3.1Å; R649-E653 PolarHBondContact O-N 3.13Å; R649-E653 VanDerWaalsContact O-N 3.08Å; D650-E653 PolarHBondContact O-N 3.17Å; E651-E653 PolarHBondContact O-N 3.15Å; E653-K657 WeakPolarHBondContact O-CB 3.44Å; E653-K657 PolarHBondContact O-N 3.05Å; E653-K657 WeakPolarHBondContact OE1-CD 3.32Å; E653-K657 WeakPolarHBondContact OE1-CE 3.37Å; E653-K657 IonicContact OE1-NZ 3.8Å; E653-K657 PolarHBondContact OE1-NZ 3.49Å; E653-Q658 HydrophobicContact CG-CG 4.17Å; E653-Q658 PolarHBondContact O-N 3.29Å
654	G	94.9	Very high	95.2	Very high	28 Å²	28	30.5 Å²	30.5	29%	0.289	16%	0.155	S	C	.	.	I	π-helix	trans	-64.5	-48.6	-179.9	0	0	0	0	0	112.6	D650 E651 F652 A659	D650-G654 PolarHBondContact O-N 3.39Å; E651-G654 PolarHBondContact O-N 2.77Å; F652-G654 PolarHBondContact O-N 2.91Å; G654-A659 VanDerWaalsContact O-CB 3.3Å; G654-A659 WeakPolarHBondContact O-CB 3.3Å; G654-A659 PolarHBondContact O-N 3.45Å; G654-A659 VanDerWaalsContact O-N 3.15Å
655	L	96.1	Very high	94.9	Very high	36 Å²	36	33.3 Å²	33.3	19%	0.188	17%	0.168	C	C	.	.	I	π-helix	trans	-75.5	-44.8	-173.6	-65	171	0	0	0	112.8	E651 W709 F860	E651-L655 VanDerWaalsContact O-CB 3.31Å; E651-L655 WeakPolarHBondContact O-CB 3.42Å; E651-L655 WeakPolarHBondContact O-CG 3.1Å; E651-L655 PolarHBondContact O-N 3.22Å; L655-W709 HydrophobicContact CD1-CH2 4.31Å; L655-W709 HydrophobicContact CD2-CH2 4.37Å; L655-W709 HydrophobicContact CD2-CZ2 4.09Å; L655-F860 HydrophobicContact CD1-CZ 4.02Å
656	F	97.3	Very high	94.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.173	C	C	.	.	I	π-helix	trans	-107.6	-9.4	-166.6	-51.6	-60.2	0	0	0	114.2	F652 P660 W709 A768 L771 F772 I846 F860	F652-F656 HydrophobicContact CB-CD2 4.47Å; F652-F656 AromaticContact CD2-CD2 3.63Å; F652-F656 HydrophobicContact CD2-CD2 3.63Å; F652-F656 HydrophobicContact CD2-CE2 4.12Å; F652-F656 AromaticContact CE2-CD2 3.98Å; F652-F656 HydrophobicContact CE2-CD2 3.98Å; F652-F656 HydrophobicContact CG-CD2 4.07Å; F652-F656 WeakPolarHBondContact O-CD2 3.14Å; F652-F656 PolarHBondContact O-N 3.38Å; F656-P660 VanDerWaalsContact C-CG 3.48Å; F656-P660 WeakPolarHBondContact O-CG 3.45Å; F656-W709 AromaticContact CE1-CH2 3.95Å; F656-W709 HydrophobicContact CE1-CH2 3.95Å; F656-W709 HydrophobicContact CE1-CZ3 4.17Å; F656-W709 HydrophobicContact CZ-CH2 4.2Å; F656-W709 HydrophobicContact CZ-CZ3 4.4Å; F656-A768 HydrophobicContact CZ-CB 4.49Å; F656-L771 HydrophobicContact CD1-CB 3.68Å; F656-L771 HydrophobicContact CD2-CB 4.14Å; F656-L771 HydrophobicContact CD2-CD1 3.88Å; F656-L771 HydrophobicContact CE1-CB 3.56Å; F656-L771 HydrophobicContact CE2-CB 4.04Å; F656-L771 HydrophobicContact CE2-CD1 3.58Å; F656-L771 HydrophobicContact CE2-CG 4.46Å; F656-L771 HydrophobicContact CG-CB 3.98Å; F656-L771 HydrophobicContact CZ-CB 3.75Å; F656-L771 HydrophobicContact CZ-CD1 3.99Å; F656-F772 HydrophobicContact CE1-CB 4.27Å; F656-I846 HydrophobicContact CB-CB 4.2Å; F656-I846 HydrophobicContact CB-CD1 4.22Å; F656-I846 HydrophobicContact CB-CG1 4.45Å; F656-I846 PolarHBondContact O-N 3.31Å; F656-F860 HydrophobicContact CE2-CD1 4.1Å; F656-F860 HydrophobicContact CE2-CD2 4.01Å; F656-F860 AromaticContact CE2-CE1 3.96Å; F656-F860 HydrophobicContact CE2-CE1 3.96Å; F656-F860 AromaticContact CE2-CE2 3.86Å; F656-F860 HydrophobicContact CE2-CE2 3.86Å; F656-F860 HydrophobicContact CE2-CG 4.12Å; F656-F860 AromaticContact CE2-CZ 3.83Å; F656-F860 HydrophobicContact CE2-CZ 3.83Å; F656-F860 HydrophobicContact CZ-CD2 4.27Å; F656-F860 HydrophobicContact CZ-CE2 4.04Å; F656-F860 HydrophobicContact CZ-CZ 4.36Å
657	K	96.1	Very high	94.1	Very high	40 Å²	40	33.8 Å²	33.8	17%	0.174	17%	0.171	C	C	.	.	I	π-helix	trans	-122.1	-62.7	177.9	179	156.3	159.1	-178.3	0	113.9	E653 P660 E661 D847	E653-K657 WeakPolarHBondContact O-CB 3.44Å; E653-K657 PolarHBondContact O-N 3.05Å; E653-K657 WeakPolarHBondContact OE1-CD 3.32Å; E653-K657 WeakPolarHBondContact OE1-CE 3.37Å; E653-K657 IonicContact OE1-NZ 3.8Å; E653-K657 PolarHBondContact OE1-NZ 3.49Å; K657-P660 VanDerWaalsContact O-CD 3.29Å; K657-P660 WeakPolarHBondContact O-CD 3.27Å; K657-P660 VanDerWaalsContact O-CG 3.31Å; K657-P660 WeakPolarHBondContact O-CG 3.42Å; K657-E661 WeakPolarHBondContact CE-OE1 3.17Å; K657-E661 HydrophobicContact CG-CG 4.44Å; K657-E661 VanDerWaalsContact O-CB 3.28Å; K657-E661 WeakPolarHBondContact O-CB 3.28Å; K657-E661 VanDerWaalsContact O-CG 3.28Å; K657-E661 WeakPolarHBondContact O-CG 3.07Å; K657-E661 PolarHBondContact O-N 2.87Å; K657-D847 WeakPolarHBondContact CE-OD1 3.42Å; K657-D847 IonicContact NZ-OD1 3.92Å; K657-D847 PolarHBondContact NZ-OD1 2.85Å
658	Q	94.5	Very high	93.7	Very high	99 Å²	99	38.1 Å²	38.1	46%	0.463	20%	0.2	S	C	.	.	I	π-helix	trans	-66.1	-47.3	-172.9	-68.4	178	11.9	0	0	112.4	E653 E661 N662	E653-Q658 HydrophobicContact CG-CG 4.17Å; E653-Q658 PolarHBondContact O-N 3.29Å; Q658-E661 PolarHBondContact O-N 3.47Å; Q658-N662 WeakPolarHBondContact O-CB 3.36Å; Q658-N662 VanDerWaalsContact O-CG 3.24Å; Q658-N662 PolarHBondContact O-N 3.48Å; Q658-N662 PolarHBondContact O-ND2 3.17Å
659	A	93.4	Very high	93.2	Very high	16 Å²	16	40.7 Å²	40.7	13%	0.132	21%	0.213	C	C	.	.	H	α-helix	trans	-57.2	-52.3	176.7	0	0	0	0	0	112.7	G654 E661 N662 A663 A690	G654-A659 VanDerWaalsContact O-CB 3.3Å; G654-A659 WeakPolarHBondContact O-CB 3.3Å; G654-A659 PolarHBondContact O-N 3.45Å; G654-A659 VanDerWaalsContact O-N 3.15Å; A659-E661 PolarHBondContact O-N 2.95Å; A659-N662 PolarHBondContact O-N 2.89Å; A659-A663 PolarHBondContact O-N 3.38Å; A659-A690 HydrophobicContact CB-CB 4.43Å
660	P	93.3	Very high	92.8	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.019	25%	0.246	C	C	.	.	H	α-helix	trans	-68.7	-31	177.1	23.5	-32	0	0	0	114	F656 K657 M664 T775 L843 P845	F656-P660 VanDerWaalsContact C-CG 3.48Å; F656-P660 WeakPolarHBondContact O-CG 3.45Å; K657-P660 VanDerWaalsContact O-CD 3.29Å; K657-P660 WeakPolarHBondContact O-CD 3.27Å; K657-P660 VanDerWaalsContact O-CG 3.31Å; K657-P660 WeakPolarHBondContact O-CG 3.42Å; P660-M664 WeakPolarHBondContact O-CB 3.2Å; P660-M664 PolarHBondContact O-N 3.34Å; P660-T775 HydrophobicContact CB-CG2 3.45Å; P660-T775 VanDerWaalsContact CB-CG2 3.45Å; P660-T775 HydrophobicContact CG-CG2 3.66Å; P660-L843 HydrophobicContact CB-CB 4.44Å; P660-P845 HydrophobicContact CB-CG 4.26Å; P660-P845 HydrophobicContact CG-CB 4.29Å; P660-P845 HydrophobicContact CG-CG 4.46Å
661	E	93.7	Very high	92.6	Very high	47 Å²	47	46.6 Å²	46.6	22%	0.22	25%	0.252	C	S	.	.	H	α-helix	trans	-63.3	-46.2	172.4	-82	179.8	177.9	0	0	111.6	K657 Q658 A659 M664 Q665 P845	K657-E661 WeakPolarHBondContact CE-OE1 3.17Å; K657-E661 HydrophobicContact CG-CG 4.44Å; K657-E661 VanDerWaalsContact O-CB 3.28Å; K657-E661 WeakPolarHBondContact O-CB 3.28Å; K657-E661 VanDerWaalsContact O-CG 3.28Å; K657-E661 WeakPolarHBondContact O-CG 3.07Å; K657-E661 PolarHBondContact O-N 2.87Å; Q658-E661 PolarHBondContact O-N 3.47Å; A659-E661 PolarHBondContact O-N 2.95Å; E661-M664 PolarHBondContact O-N 3.22Å; E661-Q665 WeakPolarHBondContact O-CB 3.32Å; E661-Q665 WeakPolarHBondContact O-CG 3.43Å; E661-Q665 PolarHBondContact O-N 2.96Å; E661-P845 HydrophobicContact CB-CG 4.32Å; E661-P845 HydrophobicContact CG-CB 3.63Å; E661-P845 HydrophobicContact CG-CG 3.48Å; E661-P845 VanDerWaalsContact CG-CG 3.48Å
662	N	92.6	Very high	92.3	Very high	36 Å²	36	45 Å²	45	19%	0.193	24%	0.244	C	C	.	.	H	α-helix	trans	-61.8	-45.1	177.6	-73.8	-28.9	0	0	0	111	Q658 A659 Q665 Y666 F672 V687 V691	Q658-N662 WeakPolarHBondContact O-CB 3.36Å; Q658-N662 VanDerWaalsContact O-CG 3.24Å; Q658-N662 PolarHBondContact O-N 3.48Å; Q658-N662 PolarHBondContact O-ND2 3.17Å; A659-N662 PolarHBondContact O-N 2.89Å; N662-Q665 PolarHBondContact O-N 3.39Å; N662-Y666 WeakPolarHBondContact O-CB 3.47Å; N662-Y666 PolarHBondContact O-N 3.36Å; N662-F672 HydrophobicContact CB-CZ 4.4Å; N662-V687 HydrophobicContact CB-CG1 4.31Å; N662-V691 HydrophobicContact CB-CG2 3.96Å
663	A	91.2	Very high	91.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.5	-42.6	175.7	0	0	0	0	0	111.7	A659 Q665 Y666 L667 V695 L843	A659-A663 PolarHBondContact O-N 3.38Å; A663-Q665 PolarHBondContact O-N 3.07Å; A663-Y666 WeakPolarHBondContact O-CB 3.42Å; A663-Y666 PolarHBondContact O-N 2.85Å; A663-L667 VanDerWaalsContact O-CG 3.23Å; A663-L667 WeakPolarHBondContact O-CG 3.29Å; A663-L667 PolarHBondContact O-N 2.75Å; A663-V695 HydrophobicContact CB-CG1 3.89Å; A663-L843 HydrophobicContact CB-CD1 3.46Å; A663-L843 VanDerWaalsContact CB-CD1 3.46Å
664	M	90.7	Very high	91.6	Very high	74 Å²	74	50.9 Å²	50.9	37%	0.365	27%	0.273	S	S	.	.	H	α-helix	trans	-61.8	-42.5	175.2	-178.7	-177.5	64	0	0	112.2	P660 E661 L667 T668 P845	P660-M664 WeakPolarHBondContact O-CB 3.2Å; P660-M664 PolarHBondContact O-N 3.34Å; E661-M664 PolarHBondContact O-N 3.22Å; M664-L667 PolarHBondContact O-N 2.68Å; M664-T668 WeakPolarHBondContact O-CB 3.2Å; M664-T668 WeakPolarHBondContact O-CG2 3.28Å; M664-T668 PolarHBondContact O-N 2.9Å; M664-T668 VanDerWaalsContact O-N 3.08Å; M664-T668 PolarHBondContact O-OG1 3.29Å; M664-P845 HydrophobicContact CE-CG 4.31Å
665	Q	90.9	Very high	91.4	Very high	58 Å²	58	54.6 Å²	54.6	27%	0.271	28%	0.278	S	S	.	.	H	α-helix	trans	-66.3	-40.4	176.8	-71.6	-179.4	28.8	0	0	111.7	E661 N662 A663 L667 T668 D669 F672	E661-Q665 WeakPolarHBondContact O-CB 3.32Å; E661-Q665 WeakPolarHBondContact O-CG 3.43Å; E661-Q665 PolarHBondContact O-N 2.96Å; N662-Q665 PolarHBondContact O-N 3.39Å; A663-Q665 PolarHBondContact O-N 3.07Å; Q665-L667 PolarHBondContact O-N 2.88Å; Q665-T668 PolarHBondContact O-N 2.96Å; Q665-D669 WeakPolarHBondContact O-CB 3.44Å; Q665-D669 PolarHBondContact O-N 3.36Å; Q665-F672 HydrophobicContact CB-CD2 3.51Å; Q665-F672 HydrophobicContact CB-CE2 3.77Å; Q665-F672 HydrophobicContact CB-CG 4.43Å
666	Y	90.1	Very high	91.2	Very high	24 Å²	24	53.2 Å²	53.2	9%	0.094	27%	0.271	C	S	.	.	H	α-helix	trans	-55.9	-41.4	172.5	173.4	-101.5	0	0	0	111.8	N662 A663 F672 M673 V691 L833 P834 P836	N662-Y666 WeakPolarHBondContact O-CB 3.47Å; N662-Y666 PolarHBondContact O-N 3.36Å; A663-Y666 WeakPolarHBondContact O-CB 3.42Å; A663-Y666 PolarHBondContact O-N 2.85Å; Y666-F672 AromaticContact CD2-CD1 3.83Å; Y666-F672 HydrophobicContact CD2-CD1 3.83Å; Y666-F672 HydrophobicContact CD2-CE1 4.13Å; Y666-F672 HydrophobicContact CG-CD1 4.33Å; Y666-F672 HydrophobicContact CG-CE1 4.47Å; Y666-M673 HydrophobicContact CD2-CG 4.25Å; Y666-M673 HydrophobicContact CD2-SD 3.82Å; Y666-M673 HydrophobicContact CE2-CG 4Å; Y666-M673 HydrophobicContact CE2-SD 3.63Å; Y666-V691 HydrophobicContact CD1-CG1 3.81Å; Y666-V691 HydrophobicContact CD2-CG1 4.39Å; Y666-V691 HydrophobicContact CE1-CG1 4.47Å; Y666-V691 HydrophobicContact CG-CG1 3.78Å; Y666-L833 HydrophobicContact CE2-CD1 4.49Å; Y666-P834 PolarHBondContact OH-O 3.07Å; Y666-P836 HydrophobicContact CE1-CG 4.35Å
667	L	85.8	Confident	90.7	Very high	37 Å²	37	56.5 Å²	56.5	19%	0.194	29%	0.288	C	S	.	.	H	α-helix	trans	-75.3	-24.4	-178.9	-65.8	174.5	0	0	0	114.2	A663 M664 Q665 P836 F839 L843	A663-L667 VanDerWaalsContact O-CG 3.23Å; A663-L667 WeakPolarHBondContact O-CG 3.29Å; A663-L667 PolarHBondContact O-N 2.75Å; M664-L667 PolarHBondContact O-N 2.68Å; Q665-L667 PolarHBondContact O-N 2.88Å; L667-P836 HydrophobicContact CD2-CB 4.32Å; L667-F839 HydrophobicContact CD2-CB 4.16Å; L667-F839 HydrophobicContact CD2-CD1 4.47Å; L667-F839 HydrophobicContact CD2-CD2 3.19Å; L667-F839 HydrophobicContact CD2-CE2 3.51Å; L667-F839 HydrophobicContact CD2-CG 3.69Å; L667-F839 HydrophobicContact CD2-CZ 4.25Å; L667-L843 HydrophobicContact CD1-CD1 4.5Å
668	T	86.9	Confident	90.4	Very high	109 Å²	109	61.6 Å²	61.6	67%	0.669	31%	0.31	S	S	*	.	H	α-helix	trans	-116.1	-24.5	-168.7	56.4	0	0	0	0	114.6	M664 Q665	M664-T668 WeakPolarHBondContact O-CB 3.2Å; M664-T668 WeakPolarHBondContact O-CG2 3.28Å; M664-T668 PolarHBondContact O-N 2.9Å; M664-T668 VanDerWaalsContact O-N 3.08Å; M664-T668 PolarHBondContact O-OG1 3.29Å; Q665-T668 PolarHBondContact O-N 2.96Å
669	D	87.9	Confident	90	Very high	53 Å²	53	60.1 Å²	60.1	28%	0.283	31%	0.305	S	S	.	.			trans	-110.1	109.8	-177.1	-171.7	-19.9	0	0	0	111.3	Q665 K671 F672 R675	Q665-D669 WeakPolarHBondContact O-CB 3.44Å; Q665-D669 PolarHBondContact O-N 3.36Å; D669-K671 PolarHBondContact O-N 2.98Å; D669-K671 WeakPolarHBondContact OD1-CB 3.42Å; D669-K671 PolarHBondContact OD1-N 2.93Å; D669-F672 HydrophobicContact CB-CB 4.35Å; D669-F672 VanDerWaalsContact O-CB 3.29Å; D669-F672 WeakPolarHBondContact O-CB 3.02Å; D669-F672 PolarHBondContact O-N 3.5Å; D669-R675 IonicContact OD1-NH1 3.59Å; D669-R675 PolarHBondContact OD1-NH1 3.3Å; D669-R675 IonicContact OD2-CZ 2.82Å; D669-R675 IonicContact OD2-NH1 3.18Å; D669-R675 PolarHBondContact OD2-NH1 2.86Å; D669-R675 IonicContact OD2-NH2 3.9Å; D669-R675 PolarHBondContact OD2-NH2 3.39Å
670	S	87.3	Confident	89.4	Confident	124 Å²	124	63.8 Å²	63.8	87%	0.867	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-15	179.3	58.7	0	0	0	0	114.5
671	K	91.3	Very high	88.8	Confident	124 Å²	124	65 Å²	65	54%	0.539	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	2	177	-62.1	-173.9	179.9	-174.3	0	113.6	D669 M673 E674 R675	D669-K671 PolarHBondContact O-N 2.98Å; D669-K671 WeakPolarHBondContact OD1-CB 3.42Å; D669-K671 PolarHBondContact OD1-N 2.93Å; K671-M673 PolarHBondContact O-N 3.49Å; K671-E674 PolarHBondContact O-N 3.34Å; K671-R675 WeakPolarHBondContact O-CG 3.2Å; K671-R675 PolarHBondContact O-N 3.37Å; K671-R675 VanDerWaalsContact O-N 3.08Å
672	F	90.3	Very high	88.2	Confident	4 Å²	4	64.8 Å²	64.8	2%	0.018	35%	0.347	C	S	.	.	H	α-helix	trans	-55.2	-53.3	-179	177.3	-93.7	0	0	0	111.6	N662 Q665 Y666 D669 E674 R675 T676 V687 L688 V691	N662-F672 HydrophobicContact CB-CZ 4.4Å; Q665-F672 HydrophobicContact CB-CD2 3.51Å; Q665-F672 HydrophobicContact CB-CE2 3.77Å; Q665-F672 HydrophobicContact CB-CG 4.43Å; Y666-F672 AromaticContact CD2-CD1 3.83Å; Y666-F672 HydrophobicContact CD2-CD1 3.83Å; Y666-F672 HydrophobicContact CD2-CE1 4.13Å; Y666-F672 HydrophobicContact CG-CD1 4.33Å; Y666-F672 HydrophobicContact CG-CE1 4.47Å; D669-F672 HydrophobicContact CB-CB 4.35Å; D669-F672 VanDerWaalsContact O-CB 3.29Å; D669-F672 WeakPolarHBondContact O-CB 3.02Å; D669-F672 PolarHBondContact O-N 3.5Å; F672-E674 VanDerWaalsContact C-N 3.3Å; F672-E674 PolarHBondContact O-N 3.09Å; F672-R675 PolarHBondContact O-N 2.91Å; F672-T676 WeakPolarHBondContact CE1-OG1 3.39Å; F672-T676 WeakPolarHBondContact CZ-OG1 3.21Å; F672-T676 PolarHBondContact O-N 3.43Å; F672-T676 PolarHBondContact O-OG1 3.3Å; F672-V687 HydrophobicContact CE1-CG1 4.4Å; F672-V687 HydrophobicContact CZ-CG1 3.67Å; F672-L688 HydrophobicContact CE1-CD2 4.25Å; F672-V691 HydrophobicContact CE1-CG2 4.27Å; F672-V691 HydrophobicContact CZ-CG2 4.17Å
673	M	89.8	Confident	87.8	Confident	54 Å²	54	67.2 Å²	67.2	27%	0.266	36%	0.357	S	S	.	.	H	α-helix	trans	-56.5	-43.1	179.8	-69.7	-59.6	-69.7	0	0	112.4	Y666 K671 R675 L677 L688 K830	Y666-M673 HydrophobicContact CD2-CG 4.25Å; Y666-M673 HydrophobicContact CD2-SD 3.82Å; Y666-M673 HydrophobicContact CE2-CG 4Å; Y666-M673 HydrophobicContact CE2-SD 3.63Å; K671-M673 PolarHBondContact O-N 3.49Å; M673-R675 VanDerWaalsContact C-N 3.33Å; M673-R675 PolarHBondContact O-N 3.47Å; M673-L677 WeakPolarHBondContact O-CB 3.28Å; M673-L677 WeakPolarHBondContact O-CG 3.38Å; M673-L677 PolarHBondContact O-N 3.45Å; M673-L677 VanDerWaalsContact O-N 3.11Å; M673-L688 HydrophobicContact CE-CD1 4.13Å; M673-L688 HydrophobicContact CE-CD2 4.09Å; M673-L688 HydrophobicContact SD-CD2 3.69Å; M673-K830 HydrophobicContact CE-CG 4.21Å
674	E	89.8	Confident	87.8	Confident	103 Å²	103	67.5 Å²	67.5	48%	0.481	36%	0.359	S	S	.	.	H	α-helix	trans	-63	-39.1	178.6	-166.8	-160.5	151.9	0	0	112	K671 F672 K678	K671-E674 PolarHBondContact O-N 3.34Å; F672-E674 VanDerWaalsContact C-N 3.3Å; F672-E674 PolarHBondContact O-N 3.09Å; E674-K678 WeakPolarHBondContact O-CG 3.31Å; E674-K678 IonicContact OE1-NZ 2.83Å; E674-K678 PolarHBondContact OE1-NZ 2.85Å
675	R	91.3	Very high	87.7	Confident	106 Å²	106	64.9 Å²	64.9	40%	0.4	35%	0.347	S	S	.	.	H	α-helix	trans	-73.6	-45.7	179	-68.7	-167.3	-54.1	-97.3	3.3	111.9	D669 K671 F672 M673 L677 K678	D669-R675 IonicContact OD1-NH1 3.59Å; D669-R675 PolarHBondContact OD1-NH1 3.3Å; D669-R675 IonicContact OD2-CZ 2.82Å; D669-R675 IonicContact OD2-NH1 3.18Å; D669-R675 PolarHBondContact OD2-NH1 2.86Å; D669-R675 IonicContact OD2-NH2 3.9Å; D669-R675 PolarHBondContact OD2-NH2 3.39Å; K671-R675 WeakPolarHBondContact O-CG 3.2Å; K671-R675 PolarHBondContact O-N 3.37Å; K671-R675 VanDerWaalsContact O-N 3.08Å; F672-R675 PolarHBondContact O-N 2.91Å; M673-R675 VanDerWaalsContact C-N 3.33Å; M673-R675 PolarHBondContact O-N 3.47Å; R675-L677 VanDerWaalsContact C-N 3.31Å; R675-L677 PolarHBondContact O-N 3.5Å; R675-K678 PolarHBondContact O-N 3.06Å; R675-K678 VanDerWaalsContact O-N 3.08Å
676	T	90.3	Very high	87.5	Confident	7 Å²	7	68 Å²	68	4%	0.043	36%	0.362	C	S	.	.	H	α-helix	trans	-61.6	-40.1	-177.7	-57.9	0	0	0	0	111.4	F672 K678 L679 P684 V687 L688	F672-T676 WeakPolarHBondContact CE1-OG1 3.39Å; F672-T676 WeakPolarHBondContact CZ-OG1 3.21Å; F672-T676 PolarHBondContact O-N 3.43Å; F672-T676 PolarHBondContact O-OG1 3.3Å; T676-K678 PolarHBondContact O-N 3.02Å; T676-L679 HydrophobicContact CG2-CD1 4.35Å; T676-L679 WeakPolarHBondContact O-CB 3.12Å; T676-L679 WeakPolarHBondContact O-CG 3.1Å; T676-L679 PolarHBondContact O-N 3.33Å; T676-L679 VanDerWaalsContact O-N 3.16Å; T676-P684 WeakPolarHBondContact O-CG 3.41Å; T676-V687 HydrophobicContact CG2-CB 3.83Å; T676-V687 HydrophobicContact CG2-CG1 3.65Å; T676-L688 HydrophobicContact CG2-CD2 4.24Å; T676-L688 HydrophobicContact CG2-CG 4.2Å
677	L	88.6	Confident	87.6	Confident	68 Å²	68	68 Å²	68	36%	0.356	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-13.4	177.9	-65.3	173.9	0	0	0	114.3	M673 R675 L688 L826	M673-L677 WeakPolarHBondContact O-CB 3.28Å; M673-L677 WeakPolarHBondContact O-CG 3.38Å; M673-L677 PolarHBondContact O-N 3.45Å; M673-L677 VanDerWaalsContact O-N 3.11Å; R675-L677 VanDerWaalsContact C-N 3.31Å; R675-L677 PolarHBondContact O-N 3.5Å; L677-L688 HydrophobicContact CD2-CD1 4.27Å; L677-L826 HydrophobicContact CD2-CD1 4.11Å; L677-L826 HydrophobicContact CD2-CD2 4.14Å; L677-L826 HydrophobicContact CD2-CG 4.37Å
678	K	89.1	Confident	87.8	Confident	147 Å²	147	66.3 Å²	66.3	64%	0.639	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-1.7	174.4	-68.8	175.6	-171	173.5	0	112.8	E674 R675 T676	E674-K678 WeakPolarHBondContact O-CG 3.31Å; E674-K678 IonicContact OE1-NZ 2.83Å; E674-K678 PolarHBondContact OE1-NZ 2.85Å; R675-K678 PolarHBondContact O-N 3.06Å; R675-K678 VanDerWaalsContact O-N 3.08Å; T676-K678 PolarHBondContact O-N 3.02Å
679	L	86.1	Confident	88	Confident	68 Å²	68	62.5 Å²	62.5	36%	0.356	33%	0.331	S	S	.	.	S	Bend	trans	-69.1	145.4	176.2	-64.9	175.2	0	0	0	110.6	T676 Q683 P684 V687	T676-L679 HydrophobicContact CG2-CD1 4.35Å; T676-L679 WeakPolarHBondContact O-CB 3.12Å; T676-L679 WeakPolarHBondContact O-CG 3.1Å; T676-L679 PolarHBondContact O-N 3.33Å; T676-L679 VanDerWaalsContact O-N 3.16Å; L679-Q683 HydrophobicContact CB-CB 3.96Å; L679-Q683 HydrophobicContact CD1-CB 4.31Å; L679-P684 HydrophobicContact CB-CG 4.16Å; L679-P684 WeakPolarHBondContact O-CG 3.27Å; L679-V687 HydrophobicContact CD1-CG2 4.39Å
680	P	81.3	Confident	88.1	Confident	94 Å²	94	61.1 Å²	61.1	61%	0.61	33%	0.327	S	S	*	.	S	Bend	trans	-73.9	149.6	-178.1	30.2	-35.4	0	0	0	112.8	Q683	P680-Q683 WeakPolarHBondContact O-CB 3.42Å; P680-Q683 WeakPolarHBondContact O-CG 3.46Å
681	G	80.9	Confident	88.3	Confident	28 Å²	28	55.2 Å²	55.2	29%	0.289	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	-140.2	169.3	0	0	0	0	0	114.1	Q683 P684	G681-Q683 VanDerWaalsContact C-N 3.29Å; G681-Q683 PolarHBondContact O-N 3.42Å; G681-P684 VanDerWaalsContact O-CD 3.25Å; G681-P684 WeakPolarHBondContact O-CD 3.47Å
682	A	80.5	Confident	88.3	Confident	42 Å²	42	51.6 Å²	51.6	35%	0.347	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-6.8	-178	0	0	0	0	0	114.4	P684 V685 E686	A682-P684 VanDerWaalsContact C-CD 3.4Å; A682-V685 WeakPolarHBondContact O-CB 3.37Å; A682-V685 PolarHBondContact O-N 3.08Å; A682-E686 PolarHBondContact O-N 3.14Å; A682-E686 VanDerWaalsContact O-N 3.11Å
683	Q	84.8	Confident	88.4	Confident	88 Å²	88	55.7 Å²	55.7	41%	0.411	29%	0.286	S	S	.	.	H	α-helix	trans	-54.2	-40.2	-176.4	-66	-174.2	-15.7	0	0	114.5	L679 P680 G681 V685 E686 V687	L679-Q683 HydrophobicContact CB-CB 3.96Å; L679-Q683 HydrophobicContact CD1-CB 4.31Å; P680-Q683 WeakPolarHBondContact O-CB 3.42Å; P680-Q683 WeakPolarHBondContact O-CG 3.46Å; G681-Q683 VanDerWaalsContact C-N 3.29Å; G681-Q683 PolarHBondContact O-N 3.42Å; Q683-V685 VanDerWaalsContact C-N 3.28Å; Q683-V685 PolarHBondContact O-N 3.41Å; Q683-E686 PolarHBondContact O-N 3.37Å; Q683-V687 WeakPolarHBondContact O-CB 3.38Å; Q683-V687 VanDerWaalsContact O-CG2 3.3Å; Q683-V687 WeakPolarHBondContact O-CG2 3.49Å; Q683-V687 PolarHBondContact O-N 2.94Å
684	P	89.7	Confident	88.4	Confident	6 Å²	6	53.6 Å²	53.6	4%	0.039	28%	0.277	C	S	.	.	H	α-helix	trans	-59.3	-39.9	176.5	-22.3	32.5	0	0	0	112.7	T676 L679 G681 A682 L688 L826	T676-P684 WeakPolarHBondContact O-CG 3.41Å; L679-P684 HydrophobicContact CB-CG 4.16Å; L679-P684 WeakPolarHBondContact O-CG 3.27Å; G681-P684 VanDerWaalsContact O-CD 3.25Å; G681-P684 WeakPolarHBondContact O-CD 3.47Å; A682-P684 VanDerWaalsContact C-CD 3.4Å; P684-L688 WeakPolarHBondContact O-CB 3.2Å; P684-L688 VanDerWaalsContact O-CG 3.26Å; P684-L688 WeakPolarHBondContact O-CG 3.45Å; P684-L688 PolarHBondContact O-N 3.28Å; P684-L826 HydrophobicContact CB-CD1 4.06Å; P684-L826 HydrophobicContact CB-CD2 4.42Å
685	V	88.5	Confident	88.3	Confident	18 Å²	18	49.1 Å²	49.1	11%	0.109	26%	0.257	C	S	.	.	H	α-helix	trans	-68.8	-45.6	178.8	178	0	0	0	0	110.1	A682 Q683 V687 L688 D689 K825 L826 L829	A682-V685 WeakPolarHBondContact O-CB 3.37Å; A682-V685 PolarHBondContact O-N 3.08Å; Q683-V685 VanDerWaalsContact C-N 3.28Å; Q683-V685 PolarHBondContact O-N 3.41Å; V685-V687 PolarHBondContact O-N 2.9Å; V685-L688 PolarHBondContact O-N 3.48Å; V685-D689 WeakPolarHBondContact O-CB 3.42Å; V685-D689 PolarHBondContact O-N 3.39Å; V685-K825 HydrophobicContact CG1-CD 4.06Å; V685-K825 HydrophobicContact CG1-CG 4.29Å; V685-L826 HydrophobicContact CG2-CB 3.93Å; V685-L826 HydrophobicContact CG2-CD1 3.99Å; V685-L826 HydrophobicContact CG2-CG 4.42Å; V685-L829 HydrophobicContact CG1-CD1 4.19Å
686	E	87.9	Confident	88.1	Confident	125 Å²	125	47.1 Å²	47.1	58%	0.584	26%	0.256	S	S	*	.	H	α-helix	trans	-59.8	-46.8	178.7	-67.5	175.7	169.8	0	0	112.1	A682 Q683 A690	A682-E686 PolarHBondContact O-N 3.14Å; A682-E686 VanDerWaalsContact O-N 3.11Å; Q683-E686 PolarHBondContact O-N 3.37Å; E686-A690 WeakPolarHBondContact O-CB 3.44Å; E686-A690 PolarHBondContact O-N 3.25Å
687	V	90.8	Very high	88	Confident	24 Å²	24	50.4 Å²	50.4	15%	0.145	28%	0.276	C	S	.	.	H	α-helix	trans	-65.4	-46.1	179.7	173.7	0	0	0	0	110.9	N662 F672 T676 L679 Q683 V685 A690 V691	N662-V687 HydrophobicContact CB-CG1 4.31Å; F672-V687 HydrophobicContact CE1-CG1 4.4Å; F672-V687 HydrophobicContact CZ-CG1 3.67Å; T676-V687 HydrophobicContact CG2-CB 3.83Å; T676-V687 HydrophobicContact CG2-CG1 3.65Å; L679-V687 HydrophobicContact CD1-CG2 4.39Å; Q683-V687 WeakPolarHBondContact O-CB 3.38Å; Q683-V687 VanDerWaalsContact O-CG2 3.3Å; Q683-V687 WeakPolarHBondContact O-CG2 3.49Å; Q683-V687 PolarHBondContact O-N 2.94Å; V685-V687 PolarHBondContact O-N 2.9Å; V687-A690 PolarHBondContact O-N 2.9Å; V687-V691 WeakPolarHBondContact O-CG2 3.38Å; V687-V691 PolarHBondContact O-N 3.2Å
688	L	91.5	Very high	88.1	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-71.7	-32.5	-179.1	-66.7	-178.8	0	0	0	113	F672 M673 T676 L677 P684 V685 V691 Y692 L826 L829 K830 L833	F672-L688 HydrophobicContact CE1-CD2 4.25Å; M673-L688 HydrophobicContact CE-CD1 4.13Å; M673-L688 HydrophobicContact CE-CD2 4.09Å; M673-L688 HydrophobicContact SD-CD2 3.69Å; T676-L688 HydrophobicContact CG2-CD2 4.24Å; T676-L688 HydrophobicContact CG2-CG 4.2Å; L677-L688 HydrophobicContact CD2-CD1 4.27Å; P684-L688 WeakPolarHBondContact O-CB 3.2Å; P684-L688 VanDerWaalsContact O-CG 3.26Å; P684-L688 WeakPolarHBondContact O-CG 3.45Å; P684-L688 PolarHBondContact O-N 3.28Å; V685-L688 PolarHBondContact O-N 3.48Å; L688-V691 PolarHBondContact O-N 2.9Å; L688-Y692 VanDerWaalsContact O-CB 3.28Å; L688-Y692 WeakPolarHBondContact O-CB 3.25Å; L688-Y692 PolarHBondContact O-N 2.83Å; L688-L826 HydrophobicContact CD1-CD1 3.67Å; L688-L829 HydrophobicContact CB-CB 4.38Å; L688-L829 HydrophobicContact CB-CD1 4.19Å; L688-K830 HydrophobicContact CD1-CG 4.48Å; L688-L833 HydrophobicContact CB-CD1 4.36Å; L688-L833 HydrophobicContact CD2-CD1 3.89Å
689	D	90.3	Very high	88.2	Confident	30 Å²	30	43.9 Å²	43.9	16%	0.16	25%	0.25	C	S	.	.	H	α-helix	trans	-64.2	-41.8	172.4	-170.2	97.8	0	0	0	110.6	V685 Y692 K693 K825 L829	V685-D689 WeakPolarHBondContact O-CB 3.42Å; V685-D689 PolarHBondContact O-N 3.39Å; D689-Y692 PolarHBondContact O-N 3.41Å; D689-K693 WeakPolarHBondContact O-CB 3.3Å; D689-K693 WeakPolarHBondContact O-CG 3.19Å; D689-K693 PolarHBondContact O-N 3.25Å; D689-K693 WeakPolarHBondContact OD2-CE 3.37Å; D689-K693 IonicContact OD2-NZ 2.86Å; D689-K693 PolarHBondContact OD2-NZ 3.08Å; D689-K825 WeakPolarHBondContact OD1-CE 3.32Å; D689-K825 IonicContact OD1-NZ 2.83Å; D689-K825 PolarHBondContact OD1-NZ 2.67Å; D689-L829 HydrophobicContact CB-CD1 4.11Å
690	A	90.4	Very high	88.6	Confident	24 Å²	24	41.1 Å²	41.1	20%	0.198	24%	0.236	C	C	.	.	H	α-helix	trans	-64.1	-41.8	174.4	0	0	0	0	0	112.6	A659 E686 V687 S694	A659-A690 HydrophobicContact CB-CB 4.43Å; E686-A690 WeakPolarHBondContact O-CB 3.44Å; E686-A690 PolarHBondContact O-N 3.25Å; V687-A690 PolarHBondContact O-N 2.9Å; A690-S694 WeakPolarHBondContact O-CB 3.37Å; A690-S694 PolarHBondContact O-N 2.73Å; A690-S694 PolarHBondContact O-OG 3.45Å
691	V	91.8	Very high	89.1	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62	-50.4	174	173.9	0	0	0	0	110.1	N662 Y666 F672 V687 L688 K693 S694 V695 L833	N662-V691 HydrophobicContact CB-CG2 3.96Å; Y666-V691 HydrophobicContact CD1-CG1 3.81Å; Y666-V691 HydrophobicContact CD2-CG1 4.39Å; Y666-V691 HydrophobicContact CE1-CG1 4.47Å; Y666-V691 HydrophobicContact CG-CG1 3.78Å; F672-V691 HydrophobicContact CE1-CG2 4.27Å; F672-V691 HydrophobicContact CZ-CG2 4.17Å; V687-V691 WeakPolarHBondContact O-CG2 3.38Å; V687-V691 PolarHBondContact O-N 3.2Å; L688-V691 PolarHBondContact O-N 2.9Å; V691-K693 VanDerWaalsContact C-N 3.33Å; V691-K693 PolarHBondContact O-N 2.76Å; V691-S694 PolarHBondContact O-N 3.15Å; V691-S694 VanDerWaalsContact O-N 3.14Å; V691-V695 HydrophobicContact CG1-CG1 4.46Å; V691-V695 HydrophobicContact CG1-CG2 4.32Å; V691-V695 WeakPolarHBondContact O-CG2 3.28Å; V691-V695 PolarHBondContact O-N 2.94Å; V691-L833 HydrophobicContact CB-CD2 4.38Å; V691-L833 HydrophobicContact CG1-CD2 3.75Å
692	Y	91.8	Very high	89.8	Confident	47 Å²	47	45 Å²	45	18%	0.184	24%	0.243	C	C	.	.	H	α-helix	trans	-57.1	-45.6	-179.4	177.1	-106.1	0	0	0	111.9	L688 D689 S694 V695 V696 T697 L829 Q832 L833	L688-Y692 VanDerWaalsContact O-CB 3.28Å; L688-Y692 WeakPolarHBondContact O-CB 3.25Å; L688-Y692 PolarHBondContact O-N 2.83Å; D689-Y692 PolarHBondContact O-N 3.41Å; Y692-S694 PolarHBondContact O-N 3.23Å; Y692-V695 PolarHBondContact O-N 3.38Å; Y692-V696 HydrophobicContact CD2-CB 3.93Å; Y692-V696 HydrophobicContact CD2-CG1 4.48Å; Y692-V696 HydrophobicContact CD2-CG2 3.68Å; Y692-V696 HydrophobicContact CE2-CB 3.76Å; Y692-V696 HydrophobicContact CE2-CG1 3.81Å; Y692-V696 HydrophobicContact CE2-CG2 3.77Å; Y692-V696 WeakPolarHBondContact O-CA 3.11Å; Y692-V696 VanDerWaalsContact O-CB 3.27Å; Y692-V696 WeakPolarHBondContact O-CB 3.44Å; Y692-V696 PolarHBondContact O-N 3.13Å; Y692-T697 HydrophobicContact CD1-CG2 4.05Å; Y692-T697 HydrophobicContact CE1-CG2 3.38Å; Y692-T697 PolarHBondContact O-N 2.91Å; Y692-L829 HydrophobicContact CD1-CD2 4.12Å; Y692-L829 HydrophobicContact CG-CD2 3.97Å; Y692-Q832 HydrophobicContact CD2-CB 4.25Å; Y692-Q832 HydrophobicContact CE2-CB 3.65Å; Y692-Q832 PolarHBondContact OH-OE1 3.3Å; Y692-L833 HydrophobicContact CD2-CD2 4.26Å
693	K	90.9	Very high	90.5	Very high	90 Å²	90	45 Å²	45	39%	0.391	24%	0.235	S	C	.	.	I	π-helix	trans	-58.9	-49.2	174.4	-76	170	174.7	158.4	0	112.3	D689 V691 V695 T697 D698	D689-K693 WeakPolarHBondContact O-CB 3.3Å; D689-K693 WeakPolarHBondContact O-CG 3.19Å; D689-K693 PolarHBondContact O-N 3.25Å; D689-K693 WeakPolarHBondContact OD2-CE 3.37Å; D689-K693 IonicContact OD2-NZ 2.86Å; D689-K693 PolarHBondContact OD2-NZ 3.08Å; V691-K693 VanDerWaalsContact C-N 3.33Å; V691-K693 PolarHBondContact O-N 2.76Å; K693-V695 VanDerWaalsContact C-N 3.27Å; K693-V695 PolarHBondContact O-N 2.95Å; K693-T697 WeakPolarHBondContact CA-OG1 3.48Å; K693-T697 PolarHBondContact O-N 2.86Å; K693-D698 WeakPolarHBondContact O-CA 3.31Å; K693-D698 WeakPolarHBondContact O-CB 3.16Å; K693-D698 PolarHBondContact O-N 3.48Å
694	S	90.4	Very high	91.1	Very high	10 Å²	10	42.7 Å²	42.7	7%	0.07	23%	0.231	C	C	.	.	I	π-helix	trans	-64.9	-29.4	-176.3	-55.6	0	0	0	0	113.5	A690 V691 Y692 Y776	A690-S694 WeakPolarHBondContact O-CB 3.37Å; A690-S694 PolarHBondContact O-N 2.73Å; A690-S694 PolarHBondContact O-OG 3.45Å; V691-S694 PolarHBondContact O-N 3.15Å; V691-S694 VanDerWaalsContact O-N 3.14Å; Y692-S694 PolarHBondContact O-N 3.23Å; S694-Y776 WeakPolarHBondContact CA-OH 3.43Å; S694-Y776 WeakPolarHBondContact O-CE1 3.45Å; S694-Y776 PolarHBondContact O-OH 3.28Å
695	V	88.1	Confident	91.4	Very high	10 Å²	10	45.6 Å²	45.6	6%	0.061	25%	0.246	C	C	.	.	I	π-helix	trans	-110.1	-15.6	-172.9	-54	0	0	0	0	114.3	A663 V691 Y692 K693 L833 P834 F839	A663-V695 HydrophobicContact CB-CG1 3.89Å; V691-V695 HydrophobicContact CG1-CG1 4.46Å; V691-V695 HydrophobicContact CG1-CG2 4.32Å; V691-V695 WeakPolarHBondContact O-CG2 3.28Å; V691-V695 PolarHBondContact O-N 2.94Å; Y692-V695 PolarHBondContact O-N 3.38Å; K693-V695 VanDerWaalsContact C-N 3.27Å; K693-V695 PolarHBondContact O-N 2.95Å; V695-L833 HydrophobicContact CG2-CD2 4.23Å; V695-P834 HydrophobicContact CG2-CG 4.35Å; V695-F839 HydrophobicContact CB-CE1 3.72Å; V695-F839 HydrophobicContact CB-CZ 3.66Å; V695-F839 HydrophobicContact CG1-CE1 4.4Å; V695-F839 HydrophobicContact CG1-CZ 4.35Å; V695-F839 HydrophobicContact CG2-CE1 4.44Å; V695-F839 HydrophobicContact CG2-CZ 3.93Å
696	V	86.8	Confident	91.9	Very high	64 Å²	64	44.7 Å²	44.7	39%	0.388	24%	0.24	S	C	.	.	I	π-helix	trans	-123.2	-63.6	-176.1	-172.2	0	0	0	0	111.9	Y692 P834	Y692-V696 HydrophobicContact CD2-CB 3.93Å; Y692-V696 HydrophobicContact CD2-CG1 4.48Å; Y692-V696 HydrophobicContact CD2-CG2 3.68Å; Y692-V696 HydrophobicContact CE2-CB 3.76Å; Y692-V696 HydrophobicContact CE2-CG1 3.81Å; Y692-V696 HydrophobicContact CE2-CG2 3.77Å; Y692-V696 WeakPolarHBondContact O-CA 3.11Å; Y692-V696 VanDerWaalsContact O-CB 3.27Å; Y692-V696 WeakPolarHBondContact O-CB 3.44Å; Y692-V696 PolarHBondContact O-N 3.13Å; V696-P834 HydrophobicContact CG2-CG 4.06Å
697	T	88	Confident	92.3	Very high	75 Å²	75	38.8 Å²	38.8	46%	0.46	21%	0.213	S	C	.	.	I	π-helix	trans	-84	-39	-166.7	64.8	0	0	0	0	113.6	Y692 K693	Y692-T697 HydrophobicContact CD1-CG2 4.05Å; Y692-T697 HydrophobicContact CE1-CG2 3.38Å; Y692-T697 PolarHBondContact O-N 2.91Å; K693-T697 WeakPolarHBondContact CA-OG1 3.48Å; K693-T697 PolarHBondContact O-N 2.86Å
698	D	90.6	Very high	92.7	Very high	57 Å²	57	38.9 Å²	38.9	31%	0.305	22%	0.216	S	C	.	.	S	Bend	trans	-107	2.2	-169.3	-61.1	7	0	0	0	111.8	K693 P700 F772	K693-D698 WeakPolarHBondContact O-CA 3.31Å; K693-D698 WeakPolarHBondContact O-CB 3.16Å; K693-D698 PolarHBondContact O-N 3.48Å; D698-P700 WeakPolarHBondContact O-CD 3.39Å; D698-P700 VanDerWaalsContact O-N 3.12Å; D698-F772 HydrophobicContact CB-CZ 4.27Å; D698-F772 WeakPolarHBondContact O-CE1 3.45Å; D698-F772 VanDerWaalsContact O-CZ 3.28Å; D698-F772 WeakPolarHBondContact O-CZ 3.34Å
699	C	90.6	Very high	93	Very high	21 Å²	21	40.4 Å²	40.4	14%	0.142	22%	0.222	C	C	.	.			trans	-61.1	111.5	-179.1	179.8	0	0	0	0	111	H701 Y776	C699-H701 PolarHBondContact O-CE1 3.39Å; C699-H701 PolarHBondContact O-ND1 3.32Å; C699-Y776 HydrophobicContact CB-CE1 4.44Å
700	P	94.1	Very high	93.4	Very high	10 Å²	10	39 Å²	39	7%	0.065	21%	0.214	C	C	.	.			trans	-78.9	146.8	-176.9	32.9	-33.5	0	0	0	111.7	D698 D705 F772 Y776 L778	D698-P700 WeakPolarHBondContact O-CD 3.39Å; D698-P700 VanDerWaalsContact O-N 3.12Å; P700-D705 HydrophobicContact CB-CB 3.98Å; P700-F772 HydrophobicContact CB-CD1 4.4Å; P700-F772 HydrophobicContact CB-CE1 4.02Å; P700-F772 HydrophobicContact CG-CD1 4Å; P700-F772 HydrophobicContact CG-CE1 3.63Å; P700-F772 HydrophobicContact CG-CZ 4.46Å; P700-Y776 HydrophobicContact CG-CD1 4.14Å; P700-Y776 HydrophobicContact CG-CD2 3.63Å; P700-Y776 HydrophobicContact CG-CE2 4.08Å; P700-Y776 HydrophobicContact CG-CG 3.67Å; P700-L778 HydrophobicContact CB-CD1 3.92Å; P700-L778 HydrophobicContact CG-CD1 3.82Å
701	H	92.3	Very high	93.7	Very high	157 Å²	157	39 Å²	39	73%	0.727	21%	0.209	S	C	*	.	S	Bend	trans	-113.3	-11.9	175	-60.7	85.1	0	0	0	112.5	C699 D705	C699-H701 PolarHBondContact O-CE1 3.39Å; C699-H701 PolarHBondContact O-ND1 3.32Å; H701-D705 WeakPolarHBondContact CA-OD2 3.49Å; H701-D705 PolarHBondContact N-OD2 3.28Å
702	S	95.3	Very high	94	Very high	46 Å²	46	41.4 Å²	41.4	32%	0.322	22%	0.222	S	C	.	.	S	Bend	trans	-152.1	164	-177.9	69.6	0	0	0	0	111.8	A704 D705 C706	S702-A704 PolarHBondContact O-N 2.92Å; S702-D705 PolarHBondContact N-OD2 2.95Å; S702-D705 WeakPolarHBondContact O-CB 3.42Å; S702-D705 PolarHBondContact O-N 3.5Å; S702-D705 VanDerWaalsContact O-N 3.1Å; S702-D705 PolarHBondContact OG-N 2.87Å; S702-D705 PolarHBondContact OG-OD2 3.36Å; S702-C706 PolarHBondContact O-N 3.19Å
703	W	96.4	Very high	94.3	Very high	43 Å²	43	40.4 Å²	40.4	16%	0.163	22%	0.219	C	C	.	.	H	α-helix	trans	-56.3	-37.1	171.6	172.6	-112.9	0	0	0	112.7	D705 C706 V707 A769 N770 A773 V787	W703-D705 VanDerWaalsContact C-N 3.28Å; W703-D705 PolarHBondContact O-N 3.11Å; W703-C706 HydrophobicContact CE3-CB 4.25Å; W703-C706 HydrophobicContact CZ3-CB 4.48Å; W703-C706 WeakPolarHBondContact O-CB 3.36Å; W703-C706 PolarHBondContact O-N 2.59Å; W703-V707 HydrophobicContact CD2-CG2 4.27Å; W703-V707 HydrophobicContact CZ2-CG2 3.84Å; W703-V707 WeakPolarHBondContact O-CG2 3.49Å; W703-V707 PolarHBondContact O-N 3.2Å; W703-A769 HydrophobicContact CH2-CB 3.65Å; W703-A769 HydrophobicContact CZ2-CB 4.31Å; W703-A769 HydrophobicContact CZ3-CB 3.94Å; W703-A769 WeakPolarHBondContact CZ3-O 3.49Å; W703-N770 HydrophobicContact CH2-CB 4.41Å; W703-A773 HydrophobicContact CE3-CB 4.1Å; W703-A773 HydrophobicContact CZ3-CB 4.02Å; W703-V787 HydrophobicContact CZ2-CG2 3.9Å
704	A	96.8	Very high	94.6	Very high	40 Å²	40	36.1 Å²	36.1	33%	0.331	20%	0.2	S	C	.	.	H	α-helix	trans	-64	-34.3	178	0	0	0	0	0	112.1	S702 V707 A708 I790	S702-A704 PolarHBondContact O-N 2.92Å; A704-V707 PolarHBondContact O-N 3.47Å; A704-A708 WeakPolarHBondContact O-CB 3.5Å; A704-A708 PolarHBondContact O-N 2.9Å; A704-I790 HydrophobicContact CB-CD1 4.39Å; A704-I790 HydrophobicContact CB-CG2 4.2Å
705	D	96.5	Very high	95	Very high	66 Å²	66	36.7 Å²	36.7	35%	0.353	20%	0.202	S	C	.	.	H	α-helix	trans	-66.8	-39.4	174.4	-56	-37.2	0	0	0	111.1	P700 H701 S702 W703 V707 A708 W709	P700-D705 HydrophobicContact CB-CB 3.98Å; H701-D705 WeakPolarHBondContact CA-OD2 3.49Å; H701-D705 PolarHBondContact N-OD2 3.28Å; S702-D705 PolarHBondContact N-OD2 2.95Å; S702-D705 WeakPolarHBondContact O-CB 3.42Å; S702-D705 PolarHBondContact O-N 3.5Å; S702-D705 VanDerWaalsContact O-N 3.1Å; S702-D705 PolarHBondContact OG-N 2.87Å; S702-D705 PolarHBondContact OG-OD2 3.36Å; W703-D705 VanDerWaalsContact C-N 3.28Å; W703-D705 PolarHBondContact O-N 3.11Å; D705-V707 PolarHBondContact O-N 2.85Å; D705-A708 PolarHBondContact O-N 3.19Å; D705-W709 WeakPolarHBondContact O-CB 3.45Å; D705-W709 PolarHBondContact O-N 3.22Å
706	C	97.7	Very high	95.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.2	-41.9	174.8	-57.4	0	0	0	0	111.8	S702 W703 W709 A710 A769 F772	S702-C706 PolarHBondContact O-N 3.19Å; W703-C706 HydrophobicContact CE3-CB 4.25Å; W703-C706 HydrophobicContact CZ3-CB 4.48Å; W703-C706 WeakPolarHBondContact O-CB 3.36Å; W703-C706 PolarHBondContact O-N 2.59Å; C706-W709 PolarHBondContact O-N 3.13Å; C706-A710 WeakPolarHBondContact O-CB 3.25Å; C706-A710 PolarHBondContact O-N 2.88Å; C706-A769 HydrophobicContact CB-CB 4.17Å; C706-F772 HydrophobicContact CB-CD1 4.28Å
707	V	98.2	Very high	96	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.2	-43.3	175.2	174.7	0	0	0	0	111.2	W703 A704 D705 A710 R711 V765 A769 V787 I790 L791	W703-V707 HydrophobicContact CD2-CG2 4.27Å; W703-V707 HydrophobicContact CZ2-CG2 3.84Å; W703-V707 WeakPolarHBondContact O-CG2 3.49Å; W703-V707 PolarHBondContact O-N 3.2Å; A704-V707 PolarHBondContact O-N 3.47Å; D705-V707 PolarHBondContact O-N 2.85Å; V707-A710 PolarHBondContact O-N 2.8Å; V707-R711 WeakPolarHBondContact O-CB 3.48Å; V707-R711 PolarHBondContact O-N 3.11Å; V707-V765 HydrophobicContact CG1-CG1 4.04Å; V707-A769 HydrophobicContact CG2-CB 4.12Å; V707-V787 HydrophobicContact CG1-CG1 4.13Å; V707-V787 HydrophobicContact CG2-CG1 4.45Å; V707-V787 HydrophobicContact CG2-CG2 4.35Å; V707-I790 HydrophobicContact CB-CG2 4Å; V707-I790 HydrophobicContact CG1-CB 4.14Å; V707-I790 HydrophobicContact CG1-CG2 3.74Å; V707-I790 HydrophobicContact CG2-CD1 4.38Å; V707-L791 HydrophobicContact CG1-CD2 3.93Å; V707-L791 HydrophobicContact CG1-CG 3.98Å
708	A	97.8	Very high	96.4	Very high	26 Å²	26	33.1 Å²	33.1	22%	0.215	18%	0.18	C	C	.	.	H	α-helix	trans	-63.7	-40.8	176.9	0	0	0	0	0	112	A704 D705 N712 V794	A704-A708 WeakPolarHBondContact O-CB 3.5Å; A704-A708 PolarHBondContact O-N 2.9Å; D705-A708 PolarHBondContact O-N 3.19Å; A708-N712 WeakPolarHBondContact O-CB 3.46Å; A708-N712 PolarHBondContact O-N 2.81Å; A708-N712 PolarHBondContact O-ND2 3.27Å; A708-V794 HydrophobicContact CB-CG1 4.16Å; A708-V794 HydrophobicContact CB-CG2 4.01Å
709	W	97.9	Very high	96.8	Very high	33 Å²	33	30.4 Å²	30.4	13%	0.125	17%	0.165	C	C	.	.	H	α-helix	trans	-59.6	-52	173.6	174.8	88.3	0	0	0	111	L655 F656 D705 C706 R711 N712 H713 A768 F772	L655-W709 HydrophobicContact CD1-CH2 4.31Å; L655-W709 HydrophobicContact CD2-CH2 4.37Å; L655-W709 HydrophobicContact CD2-CZ2 4.09Å; F656-W709 AromaticContact CE1-CH2 3.95Å; F656-W709 HydrophobicContact CE1-CH2 3.95Å; F656-W709 HydrophobicContact CE1-CZ3 4.17Å; F656-W709 HydrophobicContact CZ-CH2 4.2Å; F656-W709 HydrophobicContact CZ-CZ3 4.4Å; D705-W709 WeakPolarHBondContact O-CB 3.45Å; D705-W709 PolarHBondContact O-N 3.22Å; C706-W709 PolarHBondContact O-N 3.13Å; W709-R711 VanDerWaalsContact C-N 3.32Å; W709-R711 PolarHBondContact O-N 2.84Å; W709-N712 PolarHBondContact O-N 2.99Å; W709-N712 VanDerWaalsContact O-N 3.14Å; W709-H713 WeakPolarHBondContact O-CB 3.46Å; W709-H713 PolarHBondContact O-N 3.24Å; W709-A768 HydrophobicContact CZ3-CB 4.22Å; W709-F772 HydrophobicContact CB-CD1 4.35Å; W709-F772 HydrophobicContact CB-CE1 4.16Å; W709-F772 AromaticContact CD1-CZ 3.89Å; W709-F772 AromaticContact CD2-CD1 3.94Å; W709-F772 HydrophobicContact CD2-CD1 3.94Å; W709-F772 AromaticContact CD2-CD2 4Å; W709-F772 HydrophobicContact CD2-CD2 4Å; W709-F772 AromaticContact CD2-CE1 3.98Å; W709-F772 HydrophobicContact CD2-CE1 3.98Å; W709-F772 HydrophobicContact CD2-CE2 4.03Å; W709-F772 AromaticContact CD2-CG 3.95Å; W709-F772 HydrophobicContact CD2-CG 3.95Å; W709-F772 HydrophobicContact CD2-CZ 4.03Å; W709-F772 AromaticContact CE2-CD2 3.93Å; W709-F772 AromaticContact CE2-CE2 3.7Å; W709-F772 AromaticContact CE2-CZ 3.96Å; W709-F772 HydrophobicContact CE3-CB 3.89Å; W709-F772 AromaticContact CE3-CD1 3.96Å; W709-F772 HydrophobicContact CE3-CD1 3.96Å; W709-F772 AromaticContact CE3-CD2 3.96Å; W709-F772 HydrophobicContact CE3-CD2 3.96Å; W709-F772 HydrophobicContact CE3-CE1 4.47Å; W709-F772 HydrophobicContact CE3-CE2 4.47Å; W709-F772 AromaticContact CE3-CG 3.68Å; W709-F772 HydrophobicContact CE3-CG 3.68Å; W709-F772 HydrophobicContact CG-CD1 4.1Å; W709-F772 AromaticContact CG-CE1 3.8Å; W709-F772 HydrophobicContact CG-CE1 3.8Å; W709-F772 HydrophobicContact CG-CE2 4.5Å; W709-F772 HydrophobicContact CG-CZ 4.02Å; W709-F772 AromaticContact CH2-CD2 3.89Å; W709-F772 HydrophobicContact CH2-CD2 3.89Å; W709-F772 HydrophobicContact CH2-CE2 4.37Å; W709-F772 HydrophobicContact CH2-CG 4.36Å; W709-F772 AromaticContact CZ2-CD2 3.89Å; W709-F772 HydrophobicContact CZ2-CD2 3.89Å; W709-F772 AromaticContact CZ2-CE2 3.9Å; W709-F772 HydrophobicContact CZ2-CE2 3.9Å; W709-F772 HydrophobicContact CZ3-CB 3.85Å; W709-F772 AromaticContact CZ3-CD2 3.92Å; W709-F772 HydrophobicContact CZ3-CD2 3.92Å; W709-F772 AromaticContact CZ3-CG 3.91Å; W709-F772 HydrophobicContact CZ3-CG 3.91Å; W709-F772 AromaticContact NE1-CE2 3.94Å; W709-F772 AromaticContact NE1-CZ 3.84Å
710	A	98.3	Very high	97.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.9	-40.5	-179.1	0	0	0	0	0	112.3	C706 V707 H713 W714 V765 A768 A769	C706-A710 WeakPolarHBondContact O-CB 3.25Å; C706-A710 PolarHBondContact O-N 2.88Å; V707-A710 PolarHBondContact O-N 2.8Å; A710-H713 PolarHBondContact O-N 3.38Å; A710-W714 WeakPolarHBondContact O-CB 3.42Å; A710-W714 PolarHBondContact O-N 3.44Å; A710-V765 HydrophobicContact CB-CG1 4.1Å; A710-A768 HydrophobicContact CB-CB 3.87Å; A710-A769 HydrophobicContact CB-CB 4.1Å
711	R	97.9	Very high	97.2	Very high	23 Å²	23	33.1 Å²	33.1	9%	0.087	18%	0.178	C	C	.	.	H	α-helix	trans	-65.4	-40.7	175.8	175.7	57.3	-169.9	94.4	-1.9	113	V707 W709 Q715 F754 L791 V794 V796	V707-R711 WeakPolarHBondContact O-CB 3.48Å; V707-R711 PolarHBondContact O-N 3.11Å; W709-R711 VanDerWaalsContact C-N 3.32Å; W709-R711 PolarHBondContact O-N 2.84Å; R711-Q715 PolarHBondContact O-N 3.13Å; R711-Q715 VanDerWaalsContact O-N 3.07Å; R711-F754 VanDerWaalsContact CZ-CG 3.49Å; R711-F754 VanDerWaalsContact NE-CD1 3.31Å; R711-L791 HydrophobicContact CB-CD2 3.59Å; R711-L791 HydrophobicContact CG-CD2 3.78Å; R711-V794 HydrophobicContact CB-CG1 4.21Å; R711-V794 HydrophobicContact CG-CB 4.4Å; R711-V794 HydrophobicContact CG-CG1 3.97Å; R711-V796 HydrophobicContact CG-CG2 4.28Å
712	N	97.7	Very high	97.5	Very high	52 Å²	52	25.9 Å²	25.9	28%	0.278	14%	0.144	S	C	.	.	H	α-helix	trans	-71.3	-36.6	177.2	-79.2	-61.4	0	0	0	111.7	A708 W709 Q715 C716 P797	A708-N712 WeakPolarHBondContact O-CB 3.46Å; A708-N712 PolarHBondContact O-N 2.81Å; A708-N712 PolarHBondContact O-ND2 3.27Å; W709-N712 PolarHBondContact O-N 2.99Å; W709-N712 VanDerWaalsContact O-N 3.14Å; N712-Q715 WeakPolarHBondContact O-CB 3.43Å; N712-Q715 PolarHBondContact O-N 2.78Å; N712-C716 PolarHBondContact O-N 2.75Å; N712-P797 WeakPolarHBondContact OD1-CD 3.46Å
713	H	97.8	Very high	97.6	Very high	26 Å²	26	27.5 Å²	27.5	12%	0.12	14%	0.144	C	C	.	.	H	α-helix	trans	-63.7	-44	172.9	-170.2	-93.4	0	0	0	111.3	E651 W709 A710 Q715 C716 Q717 Y764	E651-H713 IonicContact OE2-CE1 3.06Å; E651-H713 PolarHBondContact OE2-CE1 3.38Å; E651-H713 IonicContact OE2-NE2 3.28Å; W709-H713 WeakPolarHBondContact O-CB 3.46Å; W709-H713 PolarHBondContact O-N 3.24Å; A710-H713 PolarHBondContact O-N 3.38Å; H713-Q715 VanDerWaalsContact C-N 3.3Å; H713-Q715 PolarHBondContact O-N 3.08Å; H713-C716 WeakPolarHBondContact O-CB 3.48Å; H713-C716 PolarHBondContact O-N 2.97Å; H713-C716 VanDerWaalsContact O-N 3.11Å; H713-Q717 WeakPolarHBondContact CE1-CG 3.48Å; H713-Q717 PolarHBondContact NE2-NE2 2.76Å; H713-Q717 PolarHBondContact O-N 2.85Å; H713-Y764 PolarHBondContact CE1-OH 3.29Å; H713-Y764 AromaticContact ND1-CZ 3.98Å; H713-Y764 PolarHBondContact ND1-OH 2.69Å
714	W	98.5	Very high	97.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-54.4	-46.5	171.3	-174.8	99.1	0	0	0	111.5	A710 C716 Q717 Y718 L752 D753 F754 H761 Y764 L867	A710-W714 WeakPolarHBondContact O-CB 3.42Å; A710-W714 PolarHBondContact O-N 3.44Å; W714-C716 VanDerWaalsContact C-N 3.29Å; W714-C716 PolarHBondContact O-N 3.5Å; W714-Q717 PolarHBondContact O-N 2.95Å; W714-Y718 HydrophobicContact CB-CD2 4.28Å; W714-Y718 AromaticContact CD1-CD2 3.43Å; W714-Y718 VanDerWaalsContact CD1-CD2 3.43Å; W714-Y718 AromaticContact CD1-CE2 3.71Å; W714-Y718 HydrophobicContact CD2-CD2 4Å; W714-Y718 AromaticContact CE2-CD2 3.96Å; W714-Y718 AromaticContact CG-CD2 3.68Å; W714-Y718 HydrophobicContact CG-CD2 3.68Å; W714-Y718 HydrophobicContact CG-CE2 4.2Å; W714-Y718 AromaticContact NE1-CD2 3.61Å; W714-Y718 VanDerWaalsContact O-CD2 3.31Å; W714-Y718 WeakPolarHBondContact O-CD2 3.45Å; W714-Y718 PolarHBondContact O-N 3.02Å; W714-L752 HydrophobicContact CH2-CB 3.72Å; W714-L752 HydrophobicContact CZ2-CB 3.93Å; W714-L752 HydrophobicContact CZ2-CD1 4.47Å; W714-D753 VanDerWaalsContact CH2-C 3.48Å; W714-F754 AromaticContact CD2-CD2 3.59Å; W714-F754 HydrophobicContact CD2-CD2 3.59Å; W714-F754 HydrophobicContact CD2-CE2 4.35Å; W714-F754 AromaticContact CE2-CD2 3.8Å; W714-F754 HydrophobicContact CE3-CB 3.85Å; W714-F754 AromaticContact CE3-CD2 3.72Å; W714-F754 HydrophobicContact CE3-CD2 3.72Å; W714-F754 HydrophobicContact CE3-CG 4.24Å; W714-F754 HydrophobicContact CG-CD2 4.09Å; W714-F754 HydrophobicContact CG-CE2 4.41Å; W714-F754 VanDerWaalsContact CH2-CA 3.48Å; W714-F754 HydrophobicContact CH2-CB 3.81Å; W714-F754 HydrophobicContact CH2-CD2 4.32Å; W714-F754 VanDerWaalsContact CH2-N 3.28Å; W714-F754 HydrophobicContact CZ2-CB 4.44Å; W714-F754 HydrophobicContact CZ2-CD2 4.17Å; W714-F754 HydrophobicContact CZ3-CB 3.48Å; W714-F754 VanDerWaalsContact CZ3-CB 3.48Å; W714-F754 HydrophobicContact CZ3-CD2 4.11Å; W714-F754 HydrophobicContact CZ3-CG 4.3Å; W714-H761 AromaticContact CZ2-CE1 3.51Å; W714-H761 AromaticContact CZ2-ND1 3.49Å; W714-H761 WeakPolarHBondContact CZ2-ND1 3.29Å; W714-Y764 HydrophobicContact CB-CD1 3.93Å; W714-Y764 HydrophobicContact CB-CE1 3.73Å; W714-Y764 AromaticContact CD1-CD1 3.53Å; W714-Y764 AromaticContact CD1-CG 3.94Å; W714-Y764 HydrophobicContact CG-CD1 4.14Å; W714-Y764 HydrophobicContact CG-CE1 4.32Å; W714-L867 HydrophobicContact CZ2-CD2 4.36Å; W714-L867 VanDerWaalsContact NE1-CD1 3.29Å
715	Q	98.3	Very high	97.5	Very high	21 Å²	21	24.5 Å²	24.5	10%	0.098	13%	0.125	C	C	.	.	H	α-helix	trans	-59	-43.8	178	-170.5	66.2	37.4	0	0	111.4	R711 N712 H713 S719 N720 V796	R711-Q715 PolarHBondContact O-N 3.13Å; R711-Q715 VanDerWaalsContact O-N 3.07Å; N712-Q715 WeakPolarHBondContact O-CB 3.43Å; N712-Q715 PolarHBondContact O-N 2.78Å; H713-Q715 VanDerWaalsContact C-N 3.3Å; H713-Q715 PolarHBondContact O-N 3.08Å; Q715-S719 VanDerWaalsContact NE2-CB 3.28Å; Q715-S719 PolarHBondContact NE2-OG 3.2Å; Q715-S719 VanDerWaalsContact O-CB 3.24Å; Q715-S719 WeakPolarHBondContact O-CB 3.34Å; Q715-S719 PolarHBondContact O-N 3.04Å; Q715-N720 PolarHBondContact NE2-OD1 3.42Å; Q715-N720 PolarHBondContact O-N 3.39Å; Q715-V796 HydrophobicContact CB-CG1 3.95Å; Q715-V796 HydrophobicContact CG-CG1 3.45Å; Q715-V796 VanDerWaalsContact CG-CG1 3.45Å
716	C	96.9	Very high	97.5	Very high	48 Å²	48	22.9 Å²	22.9	32%	0.324	12%	0.116	S	C	.	.	I	π-helix	trans	-60.7	-52.7	-179.1	-167.1	0	0	0	0	110.7	N712 H713 W714 N720 N721	N712-C716 PolarHBondContact O-N 2.75Å; H713-C716 WeakPolarHBondContact O-CB 3.48Å; H713-C716 PolarHBondContact O-N 2.97Å; H713-C716 VanDerWaalsContact O-N 3.11Å; W714-C716 VanDerWaalsContact C-N 3.29Å; W714-C716 PolarHBondContact O-N 3.5Å; C716-N720 PolarHBondContact O-N 3.29Å; C716-N721 WeakPolarHBondContact O-CB 3.33Å; C716-N721 PolarHBondContact O-N 3.28Å; C716-N721 PolarHBondContact O-ND2 3.46Å
717	Q	97.6	Very high	97.3	Very high	26 Å²	26	27 Å²	27	12%	0.121	14%	0.135	C	C	.	.	I	π-helix	trans	-74.2	-50.5	-170.9	-64.1	-61.6	-6	0	0	113.6	W647 E651 H713 W714 N721	W647-Q717 HydrophobicContact CH2-CB 4.49Å; E651-Q717 PolarHBondContact OE2-NE2 3.32Å; H713-Q717 WeakPolarHBondContact CE1-CG 3.48Å; H713-Q717 PolarHBondContact NE2-NE2 2.76Å; H713-Q717 PolarHBondContact O-N 2.85Å; W714-Q717 PolarHBondContact O-N 2.95Å; Q717-N721 PolarHBondContact OE1-ND2 2.77Å; Q717-N721 VanDerWaalsContact OE1-ND2 3.09Å
718	Y	98.3	Very high	97.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	I	π-helix	trans	-95.1	-2.9	-167.9	-52.2	-69.2	0	0	0	113.7	W647 W714 L752 Y764 A864 L867 R868 N871	W647-Y718 AromaticContact CH2-CE1 3.94Å; W647-Y718 HydrophobicContact CH2-CE1 3.94Å; W647-Y718 AromaticContact CH2-CZ 3.99Å; W647-Y718 HydrophobicContact CZ3-CE1 4.17Å; W714-Y718 HydrophobicContact CB-CD2 4.28Å; W714-Y718 AromaticContact CD1-CD2 3.43Å; W714-Y718 VanDerWaalsContact CD1-CD2 3.43Å; W714-Y718 AromaticContact CD1-CE2 3.71Å; W714-Y718 HydrophobicContact CD2-CD2 4Å; W714-Y718 AromaticContact CE2-CD2 3.96Å; W714-Y718 AromaticContact CG-CD2 3.68Å; W714-Y718 HydrophobicContact CG-CD2 3.68Å; W714-Y718 HydrophobicContact CG-CE2 4.2Å; W714-Y718 AromaticContact NE1-CD2 3.61Å; W714-Y718 VanDerWaalsContact O-CD2 3.31Å; W714-Y718 WeakPolarHBondContact O-CD2 3.45Å; W714-Y718 PolarHBondContact O-N 3.02Å; Y718-L752 PolarHBondContact O-N 3.14Å; Y718-Y764 HydrophobicContact CE2-CD2 4.18Å; Y718-Y764 HydrophobicContact CE2-CE1 4.23Å; Y718-Y764 AromaticContact CE2-CE2 3.78Å; Y718-Y764 HydrophobicContact CE2-CE2 3.78Å; Y718-Y764 AromaticContact CE2-CZ 3.8Å; Y718-Y764 AromaticContact CZ-CE2 3.94Å; Y718-Y764 WeakPolarHBondContact OH-CE2 3.38Å; Y718-A864 WeakPolarHBondContact CE1-O 3.43Å; Y718-A864 WeakPolarHBondContact OH-CA 3.38Å; Y718-A864 WeakPolarHBondContact OH-CB 3.39Å; Y718-A864 PolarHBondContact OH-O 2.97Å; Y718-A864 VanDerWaalsContact OH-O 3.11Å; Y718-L867 HydrophobicContact CD1-CB 3.6Å; Y718-L867 HydrophobicContact CD2-CB 4.32Å; Y718-L867 HydrophobicContact CD2-CD1 4.03Å; Y718-L867 HydrophobicContact CE1-CB 3.44Å; Y718-L867 VanDerWaalsContact CE1-CB 3.44Å; Y718-L867 HydrophobicContact CE1-CD1 4.39Å; Y718-L867 HydrophobicContact CE2-CB 4.21Å; Y718-L867 HydrophobicContact CE2-CD1 3.67Å; Y718-L867 HydrophobicContact CG-CB 4.05Å; Y718-R868 HydrophobicContact CE1-CB 4.1Å; Y718-N871 WeakPolarHBondContact CD1-OD1 3.48Å; Y718-N871 PolarHBondContact O-ND2 3.29Å
719	S	98.1	Very high	96.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.14	C	C	.	.	I	π-helix	trans	-134.4	-60.9	-174.9	-150.2	0	0	0	0	112	Q715 I722 R723 L752	Q715-S719 VanDerWaalsContact NE2-CB 3.28Å; Q715-S719 PolarHBondContact NE2-OG 3.2Å; Q715-S719 VanDerWaalsContact O-CB 3.24Å; Q715-S719 WeakPolarHBondContact O-CB 3.34Å; Q715-S719 PolarHBondContact O-N 3.04Å; S719-I722 PolarHBondContact O-N 2.83Å; S719-R723 WeakPolarHBondContact O-CG 3.36Å; S719-R723 PolarHBondContact O-N 3.31Å; S719-R723 PolarHBondContact OG-NH1 3Å; S719-R723 PolarHBondContact OG-NH2 3.32Å; S719-L752 VanDerWaalsContact CB-O 3.3Å; S719-L752 WeakPolarHBondContact CB-O 3.18Å; S719-L752 PolarHBondContact OG-O 3.46Å
720	N	97.6	Very high	96.8	Very high	20 Å²	20	29.5 Å²	29.5	11%	0.107	15%	0.149	C	C	.	.	I	π-helix	trans	-69.4	-48.4	-173.9	-62.4	-9.6	0	0	0	112.3	Q715 C716 I722 R723 Q724 F799	Q715-N720 PolarHBondContact NE2-OD1 3.42Å; Q715-N720 PolarHBondContact O-N 3.39Å; C716-N720 PolarHBondContact O-N 3.29Å; N720-I722 PolarHBondContact O-N 3.46Å; N720-R723 PolarHBondContact O-N 3.38Å; N720-Q724 PolarHBondContact O-N 2.91Å; N720-F799 HydrophobicContact CB-CB 4.13Å; N720-F799 HydrophobicContact CB-CD1 3.75Å; N720-F799 HydrophobicContact CB-CD2 3.82Å; N720-F799 HydrophobicContact CB-CE1 4.09Å; N720-F799 HydrophobicContact CB-CE2 4.16Å; N720-F799 HydrophobicContact CB-CG 3.6Å; N720-F799 HydrophobicContact CB-CZ 4.29Å; N720-F799 VanDerWaalsContact CG-CB 3.42Å; N720-F799 VanDerWaalsContact CG-CG 3.49Å; N720-F799 WeakPolarHBondContact O-CE1 3.47Å; N720-F799 VanDerWaalsContact OD1-CB 3.3Å; N720-F799 WeakPolarHBondContact OD1-CB 3.44Å
721	N	95.9	Very high	96.5	Very high	69 Å²	69	33.6 Å²	33.6	37%	0.369	18%	0.175	S	C	.	.	H	α-helix	trans	-61.4	-36.3	178	-72	-14.1	0	0	0	111.4	C716 Q717 Q724 L725	C716-N721 WeakPolarHBondContact O-CB 3.33Å; C716-N721 PolarHBondContact O-N 3.28Å; C716-N721 PolarHBondContact O-ND2 3.46Å; Q717-N721 PolarHBondContact OE1-ND2 2.77Å; Q717-N721 VanDerWaalsContact OE1-ND2 3.09Å; N721-Q724 PolarHBondContact O-N 3.44Å; N721-L725 WeakPolarHBondContact O-CB 3.45Å; N721-L725 PolarHBondContact O-N 3.32Å
722	I	97.3	Very high	96.3	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-68	-43.9	175.1	-56.2	-60.7	0	0	0	111.6	S719 N720 Q724 L725 L726 P749 P751 N871 Y872	S719-I722 PolarHBondContact O-N 2.83Å; N720-I722 PolarHBondContact O-N 3.46Å; I722-Q724 VanDerWaalsContact C-N 3.28Å; I722-Q724 PolarHBondContact O-N 3.02Å; I722-L725 PolarHBondContact O-N 2.84Å; I722-L725 VanDerWaalsContact O-N 3.16Å; I722-L726 HydrophobicContact CG2-CD1 4.26Å; I722-L726 WeakPolarHBondContact O-CG 3.14Å; I722-L726 PolarHBondContact O-N 3.05Å; I722-P749 HydrophobicContact CD1-CB 4.33Å; I722-P749 HydrophobicContact CG2-CB 3.87Å; I722-P749 HydrophobicContact CG2-CG 4.1Å; I722-P751 HydrophobicContact CB-CB 4.33Å; I722-P751 HydrophobicContact CG2-CB 4.21Å; I722-N871 HydrophobicContact CD1-CB 4.24Å; I722-N871 HydrophobicContact CG1-CB 4.49Å; I722-Y872 HydrophobicContact CD1-CE2 3.95Å
723	R	97.1	Very high	96.1	Very high	80 Å²	80	39.2 Å²	39.2	30%	0.302	21%	0.205	S	C	.	.	H	α-helix	trans	-60.8	-38	173.3	-73	-176.1	-175.9	102.7	6.7	112	S719 N720 H727 P751 D753 F799 P801	S719-R723 WeakPolarHBondContact O-CG 3.36Å; S719-R723 PolarHBondContact O-N 3.31Å; S719-R723 PolarHBondContact OG-NH1 3Å; S719-R723 PolarHBondContact OG-NH2 3.32Å; N720-R723 PolarHBondContact O-N 3.38Å; R723-H727 WeakPolarHBondContact O-CB 3.3Å; R723-H727 PolarHBondContact O-N 3.48Å; R723-P751 HydrophobicContact CG-CB 3.84Å; R723-P751 HydrophobicContact CG-CG 4.02Å; R723-D753 IonicContact NH2-OD1 2.96Å; R723-D753 PolarHBondContact NH2-OD1 3.5Å; R723-F799 HydrophobicContact CB-CD1 4.29Å; R723-F799 HydrophobicContact CB-CE1 4.1Å; R723-P801 HydrophobicContact CB-CG 4.41Å
724	Q	96.3	Very high	95.7	Very high	15 Å²	15	42.8 Å²	42.8	7%	0.07	23%	0.225	C	C	.	.	H	α-helix	trans	-64.4	-44.7	173.5	-173.8	63.2	65	0	0	111.2	N720 N721 I722 L726 H727 N728 F799 R802 V805	N720-Q724 PolarHBondContact O-N 2.91Å; N721-Q724 PolarHBondContact O-N 3.44Å; I722-Q724 VanDerWaalsContact C-N 3.28Å; I722-Q724 PolarHBondContact O-N 3.02Å; Q724-L726 PolarHBondContact O-N 3.45Å; Q724-H727 WeakPolarHBondContact O-CB 3.48Å; Q724-H727 PolarHBondContact O-N 3.43Å; Q724-N728 PolarHBondContact NE2-OD1 3.24Å; Q724-N728 PolarHBondContact O-N 3.33Å; Q724-N728 PolarHBondContact O-OD1 3.11Å; Q724-F799 HydrophobicContact CB-CE1 4.34Å; Q724-F799 HydrophobicContact CB-CZ 4.03Å; Q724-R802 PolarHBondContact NE2-O 2.79Å; Q724-V805 HydrophobicContact CG-CG1 4.48Å
725	L	95.3	Very high	95.2	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-61.2	-43.4	178.6	-177.2	62.3	0	0	0	112	N636 F637 N721 I722 H727 N728 F729 W742 P749 I807 Y872	N636-L725 HydrophobicContact CB-CD1 4.46Å; F637-L725 HydrophobicContact CE1-CD1 4.36Å; N721-L725 WeakPolarHBondContact O-CB 3.45Å; N721-L725 PolarHBondContact O-N 3.32Å; I722-L725 PolarHBondContact O-N 2.84Å; I722-L725 VanDerWaalsContact O-N 3.16Å; L725-H727 VanDerWaalsContact C-N 3.35Å; L725-N728 WeakPolarHBondContact O-CB 3.21Å; L725-N728 PolarHBondContact O-N 3.08Å; L725-F729 HydrophobicContact CD1-CD2 3.78Å; L725-F729 HydrophobicContact CD1-CE2 4.15Å; L725-F729 PolarHBondContact O-N 3.47Å; L725-W742 HydrophobicContact CD2-CH2 4.13Å; L725-W742 HydrophobicContact CG-CH2 4.15Å; L725-P749 HydrophobicContact CD2-CG 4Å; L725-I807 HydrophobicContact CB-CD1 4.46Å; L725-I807 HydrophobicContact CD1-CD1 3.75Å; L725-I807 HydrophobicContact CD1-CG2 4.03Å; L725-Y872 WeakPolarHBondContact CD2-OH 3.39Å
726	L	96.1	Very high	94.6	Very high	32 Å²	32	50.8 Å²	50.8	17%	0.168	28%	0.281	C	S	.	.	H	α-helix	trans	-70.7	-27.6	176.3	-68.6	175.5	0	0	0	113.4	I722 Q724 N728 F729 P730 P731 W742 P749	I722-L726 HydrophobicContact CG2-CD1 4.26Å; I722-L726 WeakPolarHBondContact O-CG 3.14Å; I722-L726 PolarHBondContact O-N 3.05Å; Q724-L726 PolarHBondContact O-N 3.45Å; L726-N728 VanDerWaalsContact C-N 3.34Å; L726-F729 CarbonylContact O-C 3.54Å; L726-F729 VanDerWaalsContact O-C 3.24Å; L726-P730 WeakPolarHBondContact O-CA 3.43Å; L726-P731 HydrophobicContact CD2-CG 4.21Å; L726-W742 HydrophobicContact CD2-CZ2 4.26Å; L726-P749 HydrophobicContact CD2-CG 4.04Å; L726-P749 HydrophobicContact CG-CG 4.36Å
727	H	95.1	Very high	94	Very high	87 Å²	87	53.4 Å²	53.4	40%	0.403	30%	0.299	S	S	.	.	H	α-helix	trans	-68.1	-39	171.5	-177.7	73.5	0	0	0	111.4	R723 Q724 L725 P801 S803	R723-H727 WeakPolarHBondContact O-CB 3.3Å; R723-H727 PolarHBondContact O-N 3.48Å; Q724-H727 WeakPolarHBondContact O-CB 3.48Å; Q724-H727 PolarHBondContact O-N 3.43Å; L725-H727 VanDerWaalsContact C-N 3.35Å; H727-P801 HydrophobicContact CB-CB 3.61Å; H727-P801 HydrophobicContact CB-CG 4.16Å; H727-S803 PolarHBondContact NE2-OG 3.42Å
728	N	93.4	Very high	93.4	Very high	41 Å²	41	54.4 Å²	54.4	22%	0.219	32%	0.317	C	S	.	.	H	α-helix	trans	-71.3	-39.8	175.2	-82.4	69	0	0	0	112.7	Q724 L725 L726 V805 I807	Q724-N728 PolarHBondContact NE2-OD1 3.24Å; Q724-N728 PolarHBondContact O-N 3.33Å; Q724-N728 PolarHBondContact O-OD1 3.11Å; L725-N728 WeakPolarHBondContact O-CB 3.21Å; L725-N728 PolarHBondContact O-N 3.08Å; L726-N728 VanDerWaalsContact C-N 3.34Å; N728-V805 PolarHBondContact ND2-O 3.37Å; N728-I807 HydrophobicContact CB-CD1 3.94Å
729	F	94.1	Very high	92.7	Very high	23 Å²	23	56.2 Å²	56.2	10%	0.101	33%	0.332	C	S	.	.	S	Bend	trans	-130.5	87.6	-179	-55.1	-74.1	0	0	0	111.3	F637 L725 L726 Q733 F741 W742 I807 V809	F637-F729 HydrophobicContact CZ-CE2 4.36Å; L725-F729 HydrophobicContact CD1-CD2 3.78Å; L725-F729 HydrophobicContact CD1-CE2 4.15Å; L725-F729 PolarHBondContact O-N 3.47Å; L726-F729 CarbonylContact O-C 3.54Å; L726-F729 VanDerWaalsContact O-C 3.24Å; F729-Q733 VanDerWaalsContact CA-OE1 3.23Å; F729-F741 HydrophobicContact CB-CD1 4.07Å; F729-F741 HydrophobicContact CB-CE1 3.77Å; F729-F741 HydrophobicContact CB-CZ 4.3Å; F729-F741 HydrophobicContact CD1-CD1 4.43Å; F729-F741 HydrophobicContact CD1-CD2 4.34Å; F729-F741 AromaticContact CD1-CE1 3.92Å; F729-F741 HydrophobicContact CD1-CE1 3.92Å; F729-F741 AromaticContact CD1-CE2 3.81Å; F729-F741 HydrophobicContact CD1-CE2 3.81Å; F729-F741 AromaticContact CD1-CZ 3.57Å; F729-F741 HydrophobicContact CD1-CZ 3.57Å; F729-F741 HydrophobicContact CD2-CE1 4.28Å; F729-F741 HydrophobicContact CD2-CZ 4.17Å; F729-F741 AromaticContact CE1-CE2 3.94Å; F729-F741 HydrophobicContact CE1-CE2 3.94Å; F729-F741 AromaticContact CE1-CZ 3.86Å; F729-F741 HydrophobicContact CE1-CZ 3.86Å; F729-F741 HydrophobicContact CE2-CZ 4.41Å; F729-F741 HydrophobicContact CG-CD1 4.39Å; F729-F741 AromaticContact CG-CE1 3.74Å; F729-F741 HydrophobicContact CG-CE1 3.74Å; F729-F741 HydrophobicContact CG-CE2 4.43Å; F729-F741 AromaticContact CG-CZ 3.76Å; F729-F741 HydrophobicContact CG-CZ 3.76Å; F729-F741 HydrophobicContact CZ-CZ 4.27Å; F729-W742 HydrophobicContact CB-CZ2 3.76Å; F729-W742 PolarHBondContact O-NE1 2.93Å; F729-W742 VanDerWaalsContact O-NE1 3.17Å; F729-I807 HydrophobicContact CE2-CB 3.91Å; F729-I807 HydrophobicContact CE2-CG2 3.93Å; F729-I807 HydrophobicContact CZ-CB 4.5Å; F729-V809 HydrophobicContact CE1-CG2 3.85Å; F729-V809 HydrophobicContact CE2-CG2 4.38Å; F729-V809 HydrophobicContact CZ-CG2 3.48Å; F729-V809 VanDerWaalsContact CZ-CG2 3.48Å
730	P	94.9	Very high	92.1	Very high	48 Å²	48	58 Å²	58	31%	0.312	34%	0.344	S	S	.	.			trans	-53.9	148	178.3	-29.4	37	0	0	0	112.9	L726 D732 Q733 W742	L726-P730 WeakPolarHBondContact O-CA 3.43Å; P730-D732 WeakPolarHBondContact CB-OD1 3.38Å; P730-D732 PolarHBondContact O-N 3.11Å; P730-D732 VanDerWaalsContact O-N 3.11Å; P730-Q733 HydrophobicContact CB-CB 4.48Å; P730-Q733 VanDerWaalsContact CD-OE1 3.29Å; P730-Q733 WeakPolarHBondContact O-CB 3.2Å; P730-Q733 PolarHBondContact O-N 2.79Å; P730-W742 PolarHBondContact O-NE1 2.77Å
731	P	93.3	Very high	91.7	Very high	85 Å²	85	57.8 Å²	57.8	55%	0.552	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-30.1	-178.9	-28.6	35.5	0	0	0	115.1	L726	L726-P731 HydrophobicContact CD2-CG 4.21Å
732	D	92.7	Very high	91.4	Very high	133 Å²	133	55.7 Å²	55.7	71%	0.711	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	5.6	-179.3	62.3	-31.3	0	0	0	113.5	P730 L734	P730-D732 WeakPolarHBondContact CB-OD1 3.38Å; P730-D732 PolarHBondContact O-N 3.11Å; P730-D732 VanDerWaalsContact O-N 3.11Å; D732-L734 PolarHBondContact O-N 3.46Å
733	Q	92.8	Very high	90.8	Very high	61 Å²	61	58.1 Å²	58.1	29%	0.285	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-60.3	136.6	-179.4	179.6	172.1	-19.3	0	0	111.7	F729 P730 F741	F729-Q733 VanDerWaalsContact CA-OE1 3.23Å; P730-Q733 HydrophobicContact CB-CB 4.48Å; P730-Q733 VanDerWaalsContact CD-OE1 3.29Å; P730-Q733 WeakPolarHBondContact O-CB 3.2Å; P730-Q733 PolarHBondContact O-N 2.79Å; Q733-F741 HydrophobicContact CB-CB 4.18Å; Q733-F741 HydrophobicContact CG-CB 4.19Å; Q733-F741 VanDerWaalsContact O-CB 3.31Å; Q733-F741 WeakPolarHBondContact O-CB 3.39Å; Q733-F741 PolarHBondContact O-N 2.97Å
734	L	90.5	Very high	90.2	Very high	101 Å²	101	56 Å²	56	53%	0.529	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-99.9	149.5	171.5	-55.9	-179.2	0	0	0	111.1	D732 A739	D732-L734 PolarHBondContact O-N 3.46Å; L734-A739 CarbonylContact C-O 3.54Å; L734-A739 VanDerWaalsContact CA-O 3.3Å; L734-A739 WeakPolarHBondContact CA-O 3.31Å
735	T	87.6	Confident	89.6	Confident	51 Å²	51	57 Å²	57	31%	0.313	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-74.8	173.1	168.4	67	0	0	0	0	110.6	S737 G738 A739 F741	T735-S737 PolarHBondContact O-N 3.41Å; T735-S737 PolarHBondContact OG1-N 2.91Å; T735-S737 PolarHBondContact OG1-OG 3.36Å; T735-G738 PolarHBondContact O-N 2.74Å; T735-A739 PolarHBondContact N-O 3.28Å; T735-A739 PolarHBondContact OG1-N 2.82Å; T735-A739 PolarHBondContact OG1-O 3.33Å; T735-F741 HydrophobicContact CG2-CB 4.44Å
736	S	86.4	Confident	89.4	Confident	138 Å²	138	59.5 Å²	59.5	97%	0.965	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.9	173.7	51.4	0	0	0	0	113.9	G738	S736-G738 VanDerWaalsContact C-N 3.33Å
737	S	84.5	Confident	89.1	Confident	102 Å²	102	59.8 Å²	59.8	71%	0.713	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-0.2	174.9	60.5	0	0	0	0	113.8	T735 A739	T735-S737 PolarHBondContact O-N 3.41Å; T735-S737 PolarHBondContact OG1-N 2.91Å; T735-S737 PolarHBondContact OG1-OG 3.36Å; S737-A739 VanDerWaalsContact C-N 3.28Å; S737-A739 PolarHBondContact O-N 2.93Å
738	G	83.5	Confident	89.1	Confident	48 Å²	48	57.7 Å²	57.7	50%	0.495	36%	0.361	S	S	.	.	S	Bend	trans	79.8	4	-176.2	0	0	0	0	0	114.4	T735 S736	T735-G738 PolarHBondContact O-N 2.74Å; S736-G738 VanDerWaalsContact C-N 3.33Å
739	A	83.2	Confident	89.2	Confident	38 Å²	38	56 Å²	56	31%	0.314	35%	0.353	S	S	.	.	S	Bend	trans	-80.6	152.1	174	0	0	0	0	0	111	L734 T735 S737 F741	L734-A739 CarbonylContact C-O 3.54Å; L734-A739 VanDerWaalsContact CA-O 3.3Å; L734-A739 WeakPolarHBondContact CA-O 3.31Å; T735-A739 PolarHBondContact N-O 3.28Å; T735-A739 PolarHBondContact OG1-N 2.82Å; T735-A739 PolarHBondContact OG1-O 3.33Å; S737-A739 VanDerWaalsContact C-N 3.28Å; S737-A739 PolarHBondContact O-N 2.93Å; A739-F741 PolarHBondContact O-N 3.26Å
740	P	86.3	Confident	89.4	Confident	38 Å²	38	58 Å²	58	25%	0.247	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-59.2	131.7	173.1	-21.6	32.1	0	0	0	112.1	W742 S743	P740-W742 VanDerWaalsContact C-N 3.35Å; P740-W742 PolarHBondContact O-N 3.41Å; P740-S743 PolarHBondContact O-OG 3.4Å
741	F	89.8	Confident	89.5	Confident	15 Å²	15	57.6 Å²	57.6	7%	0.066	36%	0.36	C	S	.	.	S	Bend	trans	-60.9	-44.9	177.5	175.9	-92.7	0	0	0	111.6	F637 F729 Q733 T735 A739 S743 K746 V809	F637-F741 HydrophobicContact CE1-CE1 4.03Å; F637-F741 AromaticContact CE1-CZ 3.98Å; F637-F741 HydrophobicContact CE1-CZ 3.98Å; F637-F741 HydrophobicContact CZ-CZ 4.09Å; F729-F741 HydrophobicContact CB-CD1 4.07Å; F729-F741 HydrophobicContact CB-CE1 3.77Å; F729-F741 HydrophobicContact CB-CZ 4.3Å; F729-F741 HydrophobicContact CD1-CD1 4.43Å; F729-F741 HydrophobicContact CD1-CD2 4.34Å; F729-F741 AromaticContact CD1-CE1 3.92Å; F729-F741 HydrophobicContact CD1-CE1 3.92Å; F729-F741 AromaticContact CD1-CE2 3.81Å; F729-F741 HydrophobicContact CD1-CE2 3.81Å; F729-F741 AromaticContact CD1-CZ 3.57Å; F729-F741 HydrophobicContact CD1-CZ 3.57Å; F729-F741 HydrophobicContact CD2-CE1 4.28Å; F729-F741 HydrophobicContact CD2-CZ 4.17Å; F729-F741 AromaticContact CE1-CE2 3.94Å; F729-F741 HydrophobicContact CE1-CE2 3.94Å; F729-F741 AromaticContact CE1-CZ 3.86Å; F729-F741 HydrophobicContact CE1-CZ 3.86Å; F729-F741 HydrophobicContact CE2-CZ 4.41Å; F729-F741 HydrophobicContact CG-CD1 4.39Å; F729-F741 AromaticContact CG-CE1 3.74Å; F729-F741 HydrophobicContact CG-CE1 3.74Å; F729-F741 HydrophobicContact CG-CE2 4.43Å; F729-F741 AromaticContact CG-CZ 3.76Å; F729-F741 HydrophobicContact CG-CZ 3.76Å; F729-F741 HydrophobicContact CZ-CZ 4.27Å; Q733-F741 HydrophobicContact CB-CB 4.18Å; Q733-F741 HydrophobicContact CG-CB 4.19Å; Q733-F741 VanDerWaalsContact O-CB 3.31Å; Q733-F741 WeakPolarHBondContact O-CB 3.39Å; Q733-F741 PolarHBondContact O-N 2.97Å; T735-F741 HydrophobicContact CG2-CB 4.44Å; A739-F741 PolarHBondContact O-N 3.26Å; F741-S743 PolarHBondContact O-N 3.11Å; F741-S743 VanDerWaalsContact O-N 3.12Å; F741-K746 HydrophobicContact CE1-CD 4.13Å; F741-K746 HydrophobicContact CE2-CD 4.4Å; F741-K746 HydrophobicContact CZ-CD 4.03Å; F741-V809 HydrophobicContact CE2-CG1 3.92Å; F741-V809 HydrophobicContact CE2-CG2 4.24Å; F741-V809 HydrophobicContact CZ-CG1 4.16Å; F741-V809 HydrophobicContact CZ-CG2 4.36Å
742	W	89.7	Confident	89.8	Confident	24 Å²	24	53.9 Å²	53.9	9%	0.091	34%	0.335	C	S	.	.	S	Bend	trans	-83.6	78.9	175.4	-58.3	107.6	0	0	0	110.5	F637 L725 L726 F729 P730 P740 K746 R747 C748 P749	F637-W742 HydrophobicContact CD1-CH2 4.21Å; F637-W742 AromaticContact CD1-CZ3 3.81Å; F637-W742 HydrophobicContact CD1-CZ3 3.81Å; F637-W742 AromaticContact CE1-CH2 3.96Å; F637-W742 HydrophobicContact CE1-CH2 3.96Å; F637-W742 AromaticContact CE1-CZ3 3.98Å; F637-W742 HydrophobicContact CE1-CZ3 3.98Å; L725-W742 HydrophobicContact CD2-CH2 4.13Å; L725-W742 HydrophobicContact CG-CH2 4.15Å; L726-W742 HydrophobicContact CD2-CZ2 4.26Å; F729-W742 HydrophobicContact CB-CZ2 3.76Å; F729-W742 PolarHBondContact O-NE1 2.93Å; F729-W742 VanDerWaalsContact O-NE1 3.17Å; P730-W742 PolarHBondContact O-NE1 2.77Å; P740-W742 VanDerWaalsContact C-N 3.35Å; P740-W742 PolarHBondContact O-N 3.41Å; W742-K746 CarbonylContact C-O 3.43Å; W742-K746 WeakPolarHBondContact CA-O 3.49Å; W742-K746 HydrophobicContact CE3-CB 4.09Å; W742-R747 VanDerWaalsContact CE3-O 3.24Å; W742-R747 VanDerWaalsContact CZ3-O 3.23Å; W742-R747 WeakPolarHBondContact CZ3-O 3.28Å; W742-C748 HydrophobicContact CB-CB 3.78Å; W742-C748 HydrophobicContact CD2-CB 3.9Å; W742-C748 HydrophobicContact CE3-CB 4.25Å; W742-C748 HydrophobicContact CG-CB 3.7Å; W742-P749 HydrophobicContact CH2-CG 4.05Å; W742-P749 VanDerWaalsContact CZ3-CD 3.5Å; W742-P749 HydrophobicContact CZ3-CG 4.47Å
743	S	84.1	Confident	90	Very high	55 Å²	55	53.3 Å²	53.3	39%	0.385	33%	0.332	S	S	.	.			trans	-147.2	159.2	176.8	61.1	0	0	0	0	111.7	P740 F741 P745 K746	P740-S743 PolarHBondContact O-OG 3.4Å; F741-S743 PolarHBondContact O-N 3.11Å; F741-S743 VanDerWaalsContact O-N 3.12Å; S743-P745 WeakPolarHBondContact O-CD 3.42Å; S743-K746 PolarHBondContact N-O 3.35Å; S743-K746 PolarHBondContact O-N 2.79Å
744	G	84.1	Confident	90.2	Very high	36 Å²	36	52.2 Å²	52.2	37%	0.371	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	-117	-177.9	0	0	0	0	0	112.1	K746	G744-K746 PolarHBondContact O-N 2.93Å
745	P	84.6	Confident	90.5	Very high	37 Å²	37	49.4 Å²	49.4	24%	0.24	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-5.8	-176.4	32.1	-36.6	0	0	0	114.4	M220 N639 S743	M220-P745 HydrophobicContact CE-CB 4.15Å; N639-P745 WeakPolarHBondContact CB-O 3.33Å; N639-P745 PolarHBondContact ND2-O 3.1Å; S743-P745 WeakPolarHBondContact O-CD 3.42Å
746	K	90.2	Very high	90.8	Very high	57 Å²	57	49.4 Å²	49.4	25%	0.248	32%	0.315	C	S	.	.			trans	-105.2	97	179.6	-59.2	-171.8	-172.9	73.9	0	110.4	F637 F741 W742 S743 G744	F637-K746 HydrophobicContact CB-CG 4.38Å; F637-K746 HydrophobicContact CD1-CD 4.3Å; F637-K746 HydrophobicContact CD1-CG 4.34Å; F637-K746 HydrophobicContact CG-CG 4.36Å; F741-K746 HydrophobicContact CE1-CD 4.13Å; F741-K746 HydrophobicContact CE2-CD 4.4Å; F741-K746 HydrophobicContact CZ-CD 4.03Å; W742-K746 CarbonylContact C-O 3.43Å; W742-K746 WeakPolarHBondContact CA-O 3.49Å; W742-K746 HydrophobicContact CE3-CB 4.09Å; S743-K746 PolarHBondContact N-O 3.35Å; S743-K746 PolarHBondContact O-N 2.79Å; G744-K746 PolarHBondContact O-N 2.93Å
747	R	90.4	Very high	91.2	Very high	38 Å²	38	47.7 Å²	47.7	14%	0.143	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-76.8	131.9	172.8	-55.6	-174.6	79.2	141.1	6.3	109.5	E252 N639 W742 P749 Y872 D873	E252-R747 VanDerWaalsContact CD-NH2 3.32Å; E252-R747 IonicContact OE1-CZ 3.57Å; E252-R747 IonicContact OE1-NH1 3.37Å; E252-R747 IonicContact OE1-NH2 4Å; E252-R747 PolarHBondContact OE1-NH2 3.46Å; E252-R747 IonicContact OE2-CZ 3.64Å; E252-R747 IonicContact OE2-NH1 3.4Å; E252-R747 IonicContact OE2-NH2 2.66Å; E252-R747 PolarHBondContact OE2-NH2 2.97Å; N639-R747 HydrophobicContact CB-CG 4.16Å; W742-R747 VanDerWaalsContact CE3-O 3.24Å; W742-R747 VanDerWaalsContact CZ3-O 3.23Å; W742-R747 WeakPolarHBondContact CZ3-O 3.28Å; R747-P749 WeakPolarHBondContact O-CD 3.37Å; R747-Y872 HydrophobicContact CB-CD1 4.41Å; R747-Y872 VanDerWaalsContact CD-O 3.27Å; R747-Y872 WeakPolarHBondContact CD-O 3.47Å; R747-Y872 PolarHBondContact NE-O 3.4Å; R747-Y872 WeakPolarHBondContact O-CD1 3.32Å; R747-D873 PolarHBondContact NH1-O 3.4Å; R747-D873 PolarHBondContact NH2-O 3.22Å
748	C	94.1	Very high	91.8	Very high	43 Å²	43	45.3 Å²	45.3	29%	0.291	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-72.3	122.5	178.2	-165.5	0	0	0	0	109.2	W742	W742-C748 HydrophobicContact CB-CB 3.78Å; W742-C748 HydrophobicContact CD2-CB 3.9Å; W742-C748 HydrophobicContact CE3-CB 4.25Å; W742-C748 HydrophobicContact CG-CB 3.7Å
749	P	97.1	Very high	92.4	Very high	6 Å²	6	48.4 Å²	48.4	4%	0.039	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-84.7	166.1	-177.4	33.3	-34.6	0	0	0	112.8	I722 L725 L726 W742 R747 N871 Y872	I722-P749 HydrophobicContact CD1-CB 4.33Å; I722-P749 HydrophobicContact CG2-CB 3.87Å; I722-P749 HydrophobicContact CG2-CG 4.1Å; L725-P749 HydrophobicContact CD2-CG 4Å; L726-P749 HydrophobicContact CD2-CG 4.04Å; L726-P749 HydrophobicContact CG-CG 4.36Å; W742-P749 HydrophobicContact CH2-CG 4.05Å; W742-P749 VanDerWaalsContact CZ3-CD 3.5Å; W742-P749 HydrophobicContact CZ3-CG 4.47Å; R747-P749 WeakPolarHBondContact O-CD 3.37Å; P749-N871 CarbonylContact C-O 3.6Å; P749-N871 WeakPolarHBondContact CA-O 3.2Å; P749-N871 VanDerWaalsContact CB-O 3.31Å; P749-N871 WeakPolarHBondContact CB-O 3.46Å; P749-Y872 HydrophobicContact CB-CD1 3.83Å; P749-Y872 HydrophobicContact CB-CD2 4.31Å; P749-Y872 HydrophobicContact CB-CE1 3.67Å; P749-Y872 HydrophobicContact CB-CE2 4.16Å; P749-Y872 HydrophobicContact CB-CG 4.16Å; P749-Y872 HydrophobicContact CG-CD1 4.43Å; P749-Y872 HydrophobicContact CG-CE1 3.91Å
750	H	97.9	Very high	93	Very high	64 Å²	64	48.4 Å²	48.4	30%	0.296	28%	0.282	S	S	.	.			trans	-132.2	143	167.8	56.2	83	0	0	0	111.2	E870 N871 D873	H750-E870 PolarHBondContact CE1-O 2.86Å; H750-E870 PolarHBondContact NE2-O 2.73Å; H750-N871 PolarHBondContact N-O 2.83Å; H750-N871 PolarHBondContact O-ND2 3.49Å; H750-D873 IonicContact CD2-OD1 3.23Å; H750-D873 IonicContact CD2-OD2 2.85Å; H750-D873 IonicContact NE2-OD1 2.65Å; H750-D873 PolarHBondContact NE2-OD1 2.68Å; H750-D873 IonicContact NE2-OD2 2.94Å
751	P	97.9	Very high	93.6	Very high	40 Å²	40	46.8 Å²	46.8	26%	0.26	27%	0.271	S	S	.	.			trans	-74.4	137.8	180	30.9	-34.1	0	0	0	110.7	I722 R723	I722-P751 HydrophobicContact CB-CB 4.33Å; I722-P751 HydrophobicContact CG2-CB 4.21Å; R723-P751 HydrophobicContact CG-CB 3.84Å; R723-P751 HydrophobicContact CG-CG 4.02Å
752	L	98.1	Very high	94	Very high	7 Å²	7	46.3 Å²	46.3	4%	0.037	27%	0.269	C	S	.	.			trans	-87.7	149.9	175.7	-57.2	-178.4	0	0	0	111.6	W714 Y718 S719 L867 E870 N871	W714-L752 HydrophobicContact CH2-CB 3.72Å; W714-L752 HydrophobicContact CZ2-CB 3.93Å; W714-L752 HydrophobicContact CZ2-CD1 4.47Å; Y718-L752 PolarHBondContact O-N 3.14Å; S719-L752 VanDerWaalsContact CB-O 3.3Å; S719-L752 WeakPolarHBondContact CB-O 3.18Å; S719-L752 PolarHBondContact OG-O 3.46Å; L752-L867 HydrophobicContact CD1-CD2 4.13Å; L752-E870 HydrophobicContact CD1-CB 4.22Å; L752-E870 HydrophobicContact CD1-CG 4.28Å; L752-E870 HydrophobicContact CD2-CG 3.89Å; L752-N871 WeakPolarHBondContact CG-ND2 3.31Å
753	D	97.2	Very high	94.3	Very high	120 Å²	120	47.6 Å²	47.6	64%	0.642	28%	0.278	S	S	*	.			trans	-106.8	132.1	170.1	-68.6	-37.8	0	0	0	110.1	W714 R723 S755 H761	W714-D753 VanDerWaalsContact CH2-C 3.48Å; R723-D753 IonicContact NH2-OD1 2.96Å; R723-D753 PolarHBondContact NH2-OD1 3.5Å; D753-S755 PolarHBondContact O-N 2.87Å; D753-H761 PolarHBondContact O-CE1 3.02Å; D753-H761 VanDerWaalsContact O-CE1 3.28Å
754	F	97.4	Very high	95	Very high	38 Å²	38	45 Å²	45	17%	0.167	26%	0.26	C	S	.	.			trans	-71.9	132.2	-175.5	-172.7	-95.4	0	0	0	111.1	R711 W714 T756 H761 V765 L791	R711-F754 VanDerWaalsContact CZ-CG 3.49Å; R711-F754 VanDerWaalsContact NE-CD1 3.31Å; W714-F754 AromaticContact CD2-CD2 3.59Å; W714-F754 HydrophobicContact CD2-CD2 3.59Å; W714-F754 HydrophobicContact CD2-CE2 4.35Å; W714-F754 AromaticContact CE2-CD2 3.8Å; W714-F754 HydrophobicContact CE3-CB 3.85Å; W714-F754 AromaticContact CE3-CD2 3.72Å; W714-F754 HydrophobicContact CE3-CD2 3.72Å; W714-F754 HydrophobicContact CE3-CG 4.24Å; W714-F754 HydrophobicContact CG-CD2 4.09Å; W714-F754 HydrophobicContact CG-CE2 4.41Å; W714-F754 VanDerWaalsContact CH2-CA 3.48Å; W714-F754 HydrophobicContact CH2-CB 3.81Å; W714-F754 HydrophobicContact CH2-CD2 4.32Å; W714-F754 VanDerWaalsContact CH2-N 3.28Å; W714-F754 HydrophobicContact CZ2-CB 4.44Å; W714-F754 HydrophobicContact CZ2-CD2 4.17Å; W714-F754 HydrophobicContact CZ3-CB 3.48Å; W714-F754 VanDerWaalsContact CZ3-CB 3.48Å; W714-F754 HydrophobicContact CZ3-CD2 4.11Å; W714-F754 HydrophobicContact CZ3-CG 4.3Å; F754-T756 HydrophobicContact CE1-CG2 3.87Å; F754-H761 HydrophobicContact CD2-CB 4.07Å; F754-H761 HydrophobicContact CE2-CB 3.79Å; F754-H761 HydrophobicContact CZ-CB 4.41Å; F754-V765 HydrophobicContact CE2-CG2 3.8Å; F754-V765 HydrophobicContact CZ-CG2 3.97Å; F754-L791 HydrophobicContact CE1-CD1 4.09Å; F754-L791 HydrophobicContact CE1-CD2 4.34Å; F754-L791 HydrophobicContact CZ-CD1 3.82Å; F754-L791 HydrophobicContact CZ-CD2 4.18Å
755	S	96.4	Very high	95.7	Very high	42 Å²	42	43.2 Å²	43.2	29%	0.294	24%	0.242	S	C	.	.			trans	-128.3	133.6	170.2	-177	0	0	0	0	111.2	D753 S757 N758 H761	D753-S755 PolarHBondContact O-N 2.87Å; S755-S757 PolarHBondContact O-N 2.94Å; S755-S757 PolarHBondContact OG-N 2.98Å; S755-S757 VanDerWaalsContact OG-N 3.08Å; S755-S757 PolarHBondContact OG-OG 3.25Å; S755-N758 PolarHBondContact O-N 3.4Å; S755-H761 PolarHBondContact N-ND1 3.2Å
756	T	95.1	Very high	96.3	Very high	52 Å²	52	42.1 Å²	42.1	32%	0.319	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-7.4	169.7	54.8	0	0	0	0	113.1	F754 V788 L791	F754-T756 HydrophobicContact CE1-CG2 3.87Å; T756-V788 HydrophobicContact CG2-CG1 4.18Å; T756-L791 HydrophobicContact CG2-CB 4.14Å; T756-L791 HydrophobicContact CG2-CD1 4.34Å
757	S	94.6	Very high	96.7	Very high	102 Å²	102	39.5 Å²	39.5	71%	0.713	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-6	174.1	74.7	0	0	0	0	113.3	S755	S755-S757 PolarHBondContact O-N 2.94Å; S755-S757 PolarHBondContact OG-N 2.98Å; S755-S757 VanDerWaalsContact OG-N 3.08Å; S755-S757 PolarHBondContact OG-OG 3.25Å
758	N	96.3	Very high	97.1	Very high	52 Å²	52	37.7 Å²	37.7	28%	0.278	22%	0.216	S	C	.	.			trans	-97.3	113.5	176	-174.7	-29.2	0	0	0	108.7	S755 L760 H761 V762	S755-N758 PolarHBondContact O-N 3.4Å; N758-L760 VanDerWaalsContact C-N 3.29Å; N758-L760 PolarHBondContact O-N 3.28Å; N758-L760 WeakPolarHBondContact OD1-CB 3.37Å; N758-L760 PolarHBondContact OD1-N 2.98Å; N758-H761 HydrophobicContact CB-CB 4.21Å; N758-H761 PolarHBondContact ND2-CD2 3.29Å; N758-H761 VanDerWaalsContact ND2-CD2 3.29Å; N758-H761 PolarHBondContact ND2-NE2 3.42Å; N758-H761 VanDerWaalsContact ND2-NE2 3.14Å; N758-H761 WeakPolarHBondContact O-CB 3.5Å; N758-H761 PolarHBondContact O-N 3.45Å; N758-H761 VanDerWaalsContact O-N 3.14Å; N758-V762 PolarHBondContact O-N 3Å
759	D	95.9	Very high	97.3	Very high	112 Å²	112	35.6 Å²	35.6	60%	0.599	20%	0.202	S	C	*	.	H	α-helix	trans	-58.8	-39.4	-177.4	-72.9	-34.3	0	0	0	112.2	H761 V762 D763	D759-H761 VanDerWaalsContact C-N 3.27Å; D759-H761 PolarHBondContact O-N 2.93Å; D759-V762 CarbonylContact O-C 3.51Å; D759-V762 PolarHBondContact O-N 3.48Å; D759-V762 VanDerWaalsContact O-N 3.13Å; D759-D763 WeakPolarHBondContact O-CB 3.45Å; D759-D763 PolarHBondContact O-N 3.08Å
760	L	96.8	Very high	97.4	Very high	38 Å²	38	35.6 Å²	35.6	20%	0.199	20%	0.202	C	C	.	.	H	α-helix	trans	-60.6	-37.4	178.8	-179.9	63.6	0	0	0	112.1	N758 Y764 A863 N866 L867	N758-L760 VanDerWaalsContact C-N 3.29Å; N758-L760 PolarHBondContact O-N 3.28Å; N758-L760 WeakPolarHBondContact OD1-CB 3.37Å; N758-L760 PolarHBondContact OD1-N 2.98Å; L760-Y764 PolarHBondContact O-N 2.74Å; L760-A863 HydrophobicContact CD1-CB 4.11Å; L760-N866 HydrophobicContact CD1-CB 4.03Å; L760-N866 HydrophobicContact CD2-CB 4.03Å; L760-L867 HydrophobicContact CD2-CD2 4.03Å; L760-L867 HydrophobicContact CD2-CG 4.13Å; L760-L867 HydrophobicContact CG-CD2 4.03Å; L760-L867 HydrophobicContact CG-CG 4.02Å
761	H	98	Very high	97.4	Very high	5 Å²	5	32.6 Å²	32.6	2%	0.023	19%	0.188	C	C	.	.	H	α-helix	trans	-70.2	-40.3	178.7	-66	-155.9	0	0	0	110.8	W714 D753 F754 S755 N758 D759 V765 L867	W714-H761 AromaticContact CZ2-CE1 3.51Å; W714-H761 AromaticContact CZ2-ND1 3.49Å; W714-H761 WeakPolarHBondContact CZ2-ND1 3.29Å; D753-H761 PolarHBondContact O-CE1 3.02Å; D753-H761 VanDerWaalsContact O-CE1 3.28Å; F754-H761 HydrophobicContact CD2-CB 4.07Å; F754-H761 HydrophobicContact CE2-CB 3.79Å; F754-H761 HydrophobicContact CZ-CB 4.41Å; S755-H761 PolarHBondContact N-ND1 3.2Å; N758-H761 HydrophobicContact CB-CB 4.21Å; N758-H761 PolarHBondContact ND2-CD2 3.29Å; N758-H761 VanDerWaalsContact ND2-CD2 3.29Å; N758-H761 PolarHBondContact ND2-NE2 3.42Å; N758-H761 VanDerWaalsContact ND2-NE2 3.14Å; N758-H761 WeakPolarHBondContact O-CB 3.5Å; N758-H761 PolarHBondContact O-N 3.45Å; N758-H761 VanDerWaalsContact O-N 3.14Å; D759-H761 VanDerWaalsContact C-N 3.27Å; D759-H761 PolarHBondContact O-N 2.93Å; H761-V765 WeakPolarHBondContact O-CG2 3.39Å; H761-V765 PolarHBondContact O-N 3.15Å; H761-L867 VanDerWaalsContact CD2-CD2 3.42Å; H761-L867 WeakPolarHBondContact CD2-CD2 3.3Å
762	V	97.5	Very high	97.4	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.024	18%	0.177	C	C	.	.	H	α-helix	trans	-71	-38	177.9	179.2	0	0	0	0	110.9	N758 D759 Y764 V765 L766 V788	N758-V762 PolarHBondContact O-N 3Å; D759-V762 CarbonylContact O-C 3.51Å; D759-V762 PolarHBondContact O-N 3.48Å; D759-V762 VanDerWaalsContact O-N 3.13Å; V762-Y764 VanDerWaalsContact C-N 3.34Å; V762-Y764 PolarHBondContact O-N 2.86Å; V762-V765 PolarHBondContact O-N 2.84Å; V762-L766 WeakPolarHBondContact O-CB 3.3Å; V762-L766 PolarHBondContact O-N 3.33Å; V762-V788 HydrophobicContact CG1-CG2 4.41Å; V762-V788 HydrophobicContact CG2-CG2 4.36Å
763	D	96.9	Very high	97.3	Very high	51 Å²	51	30.8 Å²	30.8	27%	0.273	18%	0.176	S	C	.	.	H	α-helix	trans	-58.1	-46.3	175.9	-72	-11.8	0	0	0	111.3	D759 V765 L766 A767 R784 A863	D759-D763 WeakPolarHBondContact O-CB 3.45Å; D759-D763 PolarHBondContact O-N 3.08Å; D763-V765 PolarHBondContact O-N 3.31Å; D763-L766 PolarHBondContact O-N 3.05Å; D763-A767 WeakPolarHBondContact O-CB 3.23Å; D763-A767 PolarHBondContact O-N 2.91Å; D763-R784 IonicContact OD1-CZ 3.85Å; D763-R784 IonicContact OD1-NH1 2.7Å; D763-R784 PolarHBondContact OD1-NH1 2.88Å; D763-R784 IonicContact OD1-NH2 2.88Å; D763-R784 PolarHBondContact OD1-NH2 3.35Å; D763-A863 HydrophobicContact CB-CB 4.25Å
764	Y	98.5	Very high	97.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-56.7	-51.1	174.7	178.3	-90.3	0	0	0	111.7	H713 W714 Y718 L760 V762 L766 A767 A768 F860 A863 A864 L867	H713-Y764 PolarHBondContact CE1-OH 3.29Å; H713-Y764 AromaticContact ND1-CZ 3.98Å; H713-Y764 PolarHBondContact ND1-OH 2.69Å; W714-Y764 HydrophobicContact CB-CD1 3.93Å; W714-Y764 HydrophobicContact CB-CE1 3.73Å; W714-Y764 AromaticContact CD1-CD1 3.53Å; W714-Y764 AromaticContact CD1-CG 3.94Å; W714-Y764 HydrophobicContact CG-CD1 4.14Å; W714-Y764 HydrophobicContact CG-CE1 4.32Å; Y718-Y764 HydrophobicContact CE2-CD2 4.18Å; Y718-Y764 HydrophobicContact CE2-CE1 4.23Å; Y718-Y764 AromaticContact CE2-CE2 3.78Å; Y718-Y764 HydrophobicContact CE2-CE2 3.78Å; Y718-Y764 AromaticContact CE2-CZ 3.8Å; Y718-Y764 AromaticContact CZ-CE2 3.94Å; Y718-Y764 WeakPolarHBondContact OH-CE2 3.38Å; L760-Y764 PolarHBondContact O-N 2.74Å; V762-Y764 VanDerWaalsContact C-N 3.34Å; V762-Y764 PolarHBondContact O-N 2.86Å; Y764-L766 VanDerWaalsContact C-N 3.33Å; Y764-L766 PolarHBondContact O-N 3.02Å; Y764-A767 PolarHBondContact O-N 3.49Å; Y764-A768 HydrophobicContact CE1-CB 4.28Å; Y764-A768 WeakPolarHBondContact O-CB 3.44Å; Y764-A768 PolarHBondContact O-N 2.88Å; Y764-F860 HydrophobicContact CD2-CE2 4.39Å; Y764-F860 HydrophobicContact CE2-CD2 4.25Å; Y764-F860 AromaticContact CE2-CE2 3.66Å; Y764-F860 HydrophobicContact CE2-CE2 3.66Å; Y764-F860 HydrophobicContact CE2-CZ 4.29Å; Y764-A863 HydrophobicContact CD2-CB 4.45Å; Y764-A864 HydrophobicContact CD2-CB 4.03Å; Y764-A864 HydrophobicContact CE2-CB 3.78Å; Y764-L867 HydrophobicContact CD2-CD1 3.77Å; Y764-L867 HydrophobicContact CG-CD1 3.71Å
765	V	98.4	Very high	97.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62	-43.9	-178.8	171.7	0	0	0	0	110.6	V707 A710 F754 H761 V762 D763 A769 V787 L791	V707-V765 HydrophobicContact CG1-CG1 4.04Å; A710-V765 HydrophobicContact CB-CG1 4.1Å; F754-V765 HydrophobicContact CE2-CG2 3.8Å; F754-V765 HydrophobicContact CZ-CG2 3.97Å; H761-V765 WeakPolarHBondContact O-CG2 3.39Å; H761-V765 PolarHBondContact O-N 3.15Å; V762-V765 PolarHBondContact O-N 2.84Å; D763-V765 PolarHBondContact O-N 3.31Å; V765-A769 WeakPolarHBondContact O-CB 3.49Å; V765-A769 PolarHBondContact O-N 3.46Å; V765-V787 HydrophobicContact CG1-CG1 4.06Å; V765-L791 HydrophobicContact CG1-CD1 4.26Å; V765-L791 HydrophobicContact CG1-CD2 4.08Å; V765-L791 HydrophobicContact CG1-CG 4.5Å; V765-L791 HydrophobicContact CG2-CD2 4.41Å
766	L	97.9	Very high	97.1	Very high	13 Å²	13	25.8 Å²	25.8	7%	0.068	14%	0.144	C	C	.	.	H	α-helix	trans	-62.4	-48.9	-178.6	-173.7	68.1	0	0	0	111.3	V762 D763 Y764 N770 S781 R784 V787	V762-L766 WeakPolarHBondContact O-CB 3.3Å; V762-L766 PolarHBondContact O-N 3.33Å; D763-L766 PolarHBondContact O-N 3.05Å; Y764-L766 VanDerWaalsContact C-N 3.33Å; Y764-L766 PolarHBondContact O-N 3.02Å; L766-N770 WeakPolarHBondContact O-CB 3.28Å; L766-N770 PolarHBondContact O-N 3.38Å; L766-N770 VanDerWaalsContact O-N 3.11Å; L766-N770 PolarHBondContact O-ND2 3.35Å; L766-S781 WeakPolarHBondContact CD1-O 3.35Å; L766-R784 HydrophobicContact CD2-CG 4.19Å; L766-V787 HydrophobicContact CD1-CG2 3.95Å
767	A	98.2	Very high	97	Very high	2 Å²	2	26.1 Å²	26.1	2%	0.017	16%	0.158	C	C	.	.	H	α-helix	trans	-66.2	-49.8	179.2	0	0	0	0	0	111.2	D763 Y764 A769 N770 L771 F856 D859 F860	D763-A767 WeakPolarHBondContact O-CB 3.23Å; D763-A767 PolarHBondContact O-N 2.91Å; Y764-A767 PolarHBondContact O-N 3.49Å; A767-A769 PolarHBondContact O-N 2.89Å; A767-N770 PolarHBondContact O-N 3.05Å; A767-L771 VanDerWaalsContact O-CG 3.28Å; A767-L771 WeakPolarHBondContact O-CG 3.46Å; A767-L771 PolarHBondContact O-N 2.91Å; A767-F856 HydrophobicContact CB-CB 4.25Å; A767-D859 HydrophobicContact CB-CB 3.98Å; A767-F860 HydrophobicContact CB-CB 3.89Å
768	A	98.6	Very high	97	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.6	-42.4	-179.6	0	0	0	0	0	112.4	F656 W709 A710 Y764 F772 F860	F656-A768 HydrophobicContact CZ-CB 4.49Å; W709-A768 HydrophobicContact CZ3-CB 4.22Å; A710-A768 HydrophobicContact CB-CB 3.87Å; Y764-A768 HydrophobicContact CE1-CB 4.28Å; Y764-A768 WeakPolarHBondContact O-CB 3.44Å; Y764-A768 PolarHBondContact O-N 2.88Å; A768-F772 VanDerWaalsContact O-CB 3.27Å; A768-F772 WeakPolarHBondContact O-CB 3.38Å; A768-F772 PolarHBondContact O-N 3.37Å; A768-F860 HydrophobicContact CB-CD2 3.92Å; A768-F860 HydrophobicContact CB-CE2 3.95Å
769	A	98.6	Very high	96.9	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-68	-39.2	178.5	0	0	0	0	0	112.3	W703 C706 V707 A710 V765 A767 F772 A773	W703-A769 HydrophobicContact CH2-CB 3.65Å; W703-A769 HydrophobicContact CZ2-CB 4.31Å; W703-A769 HydrophobicContact CZ3-CB 3.94Å; W703-A769 WeakPolarHBondContact CZ3-O 3.49Å; C706-A769 HydrophobicContact CB-CB 4.17Å; V707-A769 HydrophobicContact CG2-CB 4.12Å; A710-A769 HydrophobicContact CB-CB 4.1Å; V765-A769 WeakPolarHBondContact O-CB 3.49Å; V765-A769 PolarHBondContact O-N 3.46Å; A767-A769 PolarHBondContact O-N 2.89Å; A769-F772 PolarHBondContact O-N 3.21Å; A769-A773 VanDerWaalsContact O-CB 3.32Å; A769-A773 WeakPolarHBondContact O-CB 3.29Å; A769-A773 PolarHBondContact O-N 2.9Å
770	N	98.5	Very high	96.8	Very high	6 Å²	6	22.7 Å²	22.7	3%	0.032	15%	0.147	C	C	.	.	H	α-helix	trans	-65.3	-45.5	175.8	-84.3	-66.1	0	0	0	111.7	W703 L766 A767 F772 A773 Q774 G780 S781 F856	W703-N770 HydrophobicContact CH2-CB 4.41Å; L766-N770 WeakPolarHBondContact O-CB 3.28Å; L766-N770 PolarHBondContact O-N 3.38Å; L766-N770 VanDerWaalsContact O-N 3.11Å; L766-N770 PolarHBondContact O-ND2 3.35Å; A767-N770 PolarHBondContact O-N 3.05Å; N770-F772 VanDerWaalsContact C-N 3.35Å; N770-F772 PolarHBondContact O-N 3.02Å; N770-A773 PolarHBondContact O-N 2.85Å; N770-Q774 VanDerWaalsContact O-CG 3.29Å; N770-Q774 WeakPolarHBondContact O-CG 3.17Å; N770-Q774 PolarHBondContact O-N 2.64Å; N770-G780 WeakPolarHBondContact OD1-CA 3.38Å; N770-S781 PolarHBondContact ND2-O 3.05Å; N770-S781 PolarHBondContact OD1-N 2.86Å; N770-S781 PolarHBondContact OD1-O 3.19Å; N770-F856 HydrophobicContact CB-CD2 3.76Å; N770-F856 HydrophobicContact CB-CE2 3.92Å; N770-F856 HydrophobicContact CB-CG 4.09Å; N770-F856 HydrophobicContact CB-CZ 4.38Å
771	L	98.3	Very high	96.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.3	-43.9	176.5	-65.6	171.1	0	0	0	111.3	F652 F656 A767 A773 Q774 T775 I846 N855 F856 F860	F652-L771 HydrophobicContact CD2-CD1 4.03Å; F652-L771 HydrophobicContact CE2-CD1 3.73Å; F652-L771 HydrophobicContact CE2-CD2 4.2Å; F656-L771 HydrophobicContact CD1-CB 3.68Å; F656-L771 HydrophobicContact CD2-CB 4.14Å; F656-L771 HydrophobicContact CD2-CD1 3.88Å; F656-L771 HydrophobicContact CE1-CB 3.56Å; F656-L771 HydrophobicContact CE2-CB 4.04Å; F656-L771 HydrophobicContact CE2-CD1 3.58Å; F656-L771 HydrophobicContact CE2-CG 4.46Å; F656-L771 HydrophobicContact CG-CB 3.98Å; F656-L771 HydrophobicContact CZ-CB 3.75Å; F656-L771 HydrophobicContact CZ-CD1 3.99Å; A767-L771 VanDerWaalsContact O-CG 3.28Å; A767-L771 WeakPolarHBondContact O-CG 3.46Å; A767-L771 PolarHBondContact O-N 2.91Å; L771-A773 PolarHBondContact O-N 3.41Å; L771-Q774 WeakPolarHBondContact O-CB 3.45Å; L771-Q774 PolarHBondContact O-N 2.84Å; L771-T775 PolarHBondContact O-N 3.29Å; L771-T775 PolarHBondContact O-OG1 2.85Å; L771-T775 VanDerWaalsContact O-OG1 3.08Å; L771-I846 HydrophobicContact CB-CD1 4.23Å; L771-I846 HydrophobicContact CD2-CD1 4.02Å; L771-I846 WeakPolarHBondContact O-CD1 3.31Å; L771-N855 WeakPolarHBondContact CD2-O 3.24Å; L771-F856 HydrophobicContact CD2-CB 4.22Å; L771-F856 HydrophobicContact CG-CB 4.24Å; L771-F860 HydrophobicContact CD1-CB 3.61Å; L771-F860 HydrophobicContact CD1-CD2 4.36Å; L771-F860 HydrophobicContact CD1-CG 3.96Å
772	F	97.8	Very high	96.5	Very high	9 Å²	9	27.4 Å²	27.4	4%	0.039	18%	0.179	C	C	.	.	H	α-helix	trans	-61.8	-44	175.4	-160.6	-116.3	0	0	0	111.6	F656 D698 P700 C706 W709 A768 A769 N770 Q774 T775 Y776	F656-F772 HydrophobicContact CE1-CB 4.27Å; D698-F772 HydrophobicContact CB-CZ 4.27Å; D698-F772 WeakPolarHBondContact O-CE1 3.45Å; D698-F772 VanDerWaalsContact O-CZ 3.28Å; D698-F772 WeakPolarHBondContact O-CZ 3.34Å; P700-F772 HydrophobicContact CB-CD1 4.4Å; P700-F772 HydrophobicContact CB-CE1 4.02Å; P700-F772 HydrophobicContact CG-CD1 4Å; P700-F772 HydrophobicContact CG-CE1 3.63Å; P700-F772 HydrophobicContact CG-CZ 4.46Å; C706-F772 HydrophobicContact CB-CD1 4.28Å; W709-F772 HydrophobicContact CB-CD1 4.35Å; W709-F772 HydrophobicContact CB-CE1 4.16Å; W709-F772 AromaticContact CD1-CZ 3.89Å; W709-F772 AromaticContact CD2-CD1 3.94Å; W709-F772 HydrophobicContact CD2-CD1 3.94Å; W709-F772 AromaticContact CD2-CD2 4Å; W709-F772 HydrophobicContact CD2-CD2 4Å; W709-F772 AromaticContact CD2-CE1 3.98Å; W709-F772 HydrophobicContact CD2-CE1 3.98Å; W709-F772 HydrophobicContact CD2-CE2 4.03Å; W709-F772 AromaticContact CD2-CG 3.95Å; W709-F772 HydrophobicContact CD2-CG 3.95Å; W709-F772 HydrophobicContact CD2-CZ 4.03Å; W709-F772 AromaticContact CE2-CD2 3.93Å; W709-F772 AromaticContact CE2-CE2 3.7Å; W709-F772 AromaticContact CE2-CZ 3.96Å; W709-F772 HydrophobicContact CE3-CB 3.89Å; W709-F772 AromaticContact CE3-CD1 3.96Å; W709-F772 HydrophobicContact CE3-CD1 3.96Å; W709-F772 AromaticContact CE3-CD2 3.96Å; W709-F772 HydrophobicContact CE3-CD2 3.96Å; W709-F772 HydrophobicContact CE3-CE1 4.47Å; W709-F772 HydrophobicContact CE3-CE2 4.47Å; W709-F772 AromaticContact CE3-CG 3.68Å; W709-F772 HydrophobicContact CE3-CG 3.68Å; W709-F772 HydrophobicContact CG-CD1 4.1Å; W709-F772 AromaticContact CG-CE1 3.8Å; W709-F772 HydrophobicContact CG-CE1 3.8Å; W709-F772 HydrophobicContact CG-CE2 4.5Å; W709-F772 HydrophobicContact CG-CZ 4.02Å; W709-F772 AromaticContact CH2-CD2 3.89Å; W709-F772 HydrophobicContact CH2-CD2 3.89Å; W709-F772 HydrophobicContact CH2-CE2 4.37Å; W709-F772 HydrophobicContact CH2-CG 4.36Å; W709-F772 AromaticContact CZ2-CD2 3.89Å; W709-F772 HydrophobicContact CZ2-CD2 3.89Å; W709-F772 AromaticContact CZ2-CE2 3.9Å; W709-F772 HydrophobicContact CZ2-CE2 3.9Å; W709-F772 HydrophobicContact CZ3-CB 3.85Å; W709-F772 AromaticContact CZ3-CD2 3.92Å; W709-F772 HydrophobicContact CZ3-CD2 3.92Å; W709-F772 AromaticContact CZ3-CG 3.91Å; W709-F772 HydrophobicContact CZ3-CG 3.91Å; W709-F772 AromaticContact NE1-CE2 3.94Å; W709-F772 AromaticContact NE1-CZ 3.84Å; A768-F772 VanDerWaalsContact O-CB 3.27Å; A768-F772 WeakPolarHBondContact O-CB 3.38Å; A768-F772 PolarHBondContact O-N 3.37Å; A769-F772 PolarHBondContact O-N 3.21Å; N770-F772 VanDerWaalsContact C-N 3.35Å; N770-F772 PolarHBondContact O-N 3.02Å; F772-Q774 PolarHBondContact O-N 3.42Å; F772-T775 WeakPolarHBondContact O-CB 3.32Å; F772-T775 PolarHBondContact O-N 3.36Å; F772-Y776 HydrophobicContact CD1-CE2 4.44Å; F772-Y776 HydrophobicContact CD2-CE2 4.04Å; F772-Y776 HydrophobicContact CE1-CD2 4.47Å; F772-Y776 HydrophobicContact CE1-CE2 4.01Å; F772-Y776 HydrophobicContact CE2-CD2 4.5Å; F772-Y776 AromaticContact CE2-CE2 3.57Å; F772-Y776 HydrophobicContact CE2-CE2 3.57Å; F772-Y776 HydrophobicContact CG-CE2 4.45Å; F772-Y776 HydrophobicContact CZ-CD2 4.42Å; F772-Y776 AromaticContact CZ-CE2 3.55Å; F772-Y776 HydrophobicContact CZ-CE2 3.55Å; F772-Y776 VanDerWaalsContact O-CD2 3.32Å; F772-Y776 WeakPolarHBondContact O-CD2 3.45Å; F772-Y776 PolarHBondContact O-N 3.36Å
773	A	97.1	Very high	96.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.9	-43.5	175.7	0	0	0	0	0	112.2	W703 A769 N770 L771 T775 Y776 G777 L778	W703-A773 HydrophobicContact CE3-CB 4.1Å; W703-A773 HydrophobicContact CZ3-CB 4.02Å; A769-A773 VanDerWaalsContact O-CB 3.32Å; A769-A773 WeakPolarHBondContact O-CB 3.29Å; A769-A773 PolarHBondContact O-N 2.9Å; N770-A773 PolarHBondContact O-N 2.85Å; L771-A773 PolarHBondContact O-N 3.41Å; A773-T775 VanDerWaalsContact C-N 3.32Å; A773-T775 PolarHBondContact O-N 3.01Å; A773-Y776 CarbonylContact O-C 3.59Å; A773-Y776 PolarHBondContact O-N 2.97Å; A773-G777 PolarHBondContact O-N 2.7Å; A773-L778 HydrophobicContact CB-CB 4.09Å; A773-L778 PolarHBondContact O-N 3.47Å
774	Q	96.3	Very high	96.2	Very high	74 Å²	74	34.1 Å²	34.1	35%	0.346	21%	0.207	S	C	.	.	H	α-helix	trans	-58.9	-42.4	175.9	-72.1	173.7	31.6	0	0	111.9	N770 L771 F772 Y776 G777 I846	N770-Q774 VanDerWaalsContact O-CG 3.29Å; N770-Q774 WeakPolarHBondContact O-CG 3.17Å; N770-Q774 PolarHBondContact O-N 2.64Å; L771-Q774 WeakPolarHBondContact O-CB 3.45Å; L771-Q774 PolarHBondContact O-N 2.84Å; F772-Q774 PolarHBondContact O-N 3.42Å; Q774-Y776 PolarHBondContact O-N 3.18Å; Q774-G777 PolarHBondContact O-N 3.17Å; Q774-G777 VanDerWaalsContact O-N 3.08Å; Q774-I846 HydrophobicContact CB-CD1 3.9Å
775	T	95.9	Very high	96	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.012	24%	0.236	C	C	.	.	H	α-helix	trans	-57.1	-34.3	177.9	-58	0	0	0	0	112.9	P660 L771 F772 A773 L843 S844	P660-T775 HydrophobicContact CB-CG2 3.45Å; P660-T775 VanDerWaalsContact CB-CG2 3.45Å; P660-T775 HydrophobicContact CG-CG2 3.66Å; L771-T775 PolarHBondContact O-N 3.29Å; L771-T775 PolarHBondContact O-OG1 2.85Å; L771-T775 VanDerWaalsContact O-OG1 3.08Å; F772-T775 WeakPolarHBondContact O-CB 3.32Å; F772-T775 PolarHBondContact O-N 3.36Å; A773-T775 VanDerWaalsContact C-N 3.32Å; A773-T775 PolarHBondContact O-N 3.01Å; T775-L843 HydrophobicContact CG2-CD2 4.23Å; T775-L843 CarbonylContact O-C 3.5Å; T775-L843 WeakPolarHBondContact O-CA 3.4Å; T775-S844 WeakPolarHBondContact CA-O 3.31Å; T775-S844 PolarHBondContact O-N 3.04Å
776	Y	94.4	Very high	95.7	Very high	19 Å²	19	38.6 Å²	38.6	8%	0.075	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	4.1	179.3	-67.1	-97.9	0	0	0	113.8	S694 C699 P700 F772 A773 Q774 L778 F841 L843	S694-Y776 WeakPolarHBondContact CA-OH 3.43Å; S694-Y776 WeakPolarHBondContact O-CE1 3.45Å; S694-Y776 PolarHBondContact O-OH 3.28Å; C699-Y776 HydrophobicContact CB-CE1 4.44Å; P700-Y776 HydrophobicContact CG-CD1 4.14Å; P700-Y776 HydrophobicContact CG-CD2 3.63Å; P700-Y776 HydrophobicContact CG-CE2 4.08Å; P700-Y776 HydrophobicContact CG-CG 3.67Å; F772-Y776 HydrophobicContact CD1-CE2 4.44Å; F772-Y776 HydrophobicContact CD2-CE2 4.04Å; F772-Y776 HydrophobicContact CE1-CD2 4.47Å; F772-Y776 HydrophobicContact CE1-CE2 4.01Å; F772-Y776 HydrophobicContact CE2-CD2 4.5Å; F772-Y776 AromaticContact CE2-CE2 3.57Å; F772-Y776 HydrophobicContact CE2-CE2 3.57Å; F772-Y776 HydrophobicContact CG-CE2 4.45Å; F772-Y776 HydrophobicContact CZ-CD2 4.42Å; F772-Y776 AromaticContact CZ-CE2 3.55Å; F772-Y776 HydrophobicContact CZ-CE2 3.55Å; F772-Y776 VanDerWaalsContact O-CD2 3.32Å; F772-Y776 WeakPolarHBondContact O-CD2 3.45Å; F772-Y776 PolarHBondContact O-N 3.36Å; A773-Y776 CarbonylContact O-C 3.59Å; A773-Y776 PolarHBondContact O-N 2.97Å; Q774-Y776 PolarHBondContact O-N 3.18Å; Y776-L778 VanDerWaalsContact C-N 3.32Å; Y776-F841 HydrophobicContact CD1-CD2 4.07Å; Y776-F841 AromaticContact CD1-CE2 3.93Å; Y776-F841 HydrophobicContact CD1-CE2 3.93Å; Y776-F841 AromaticContact CE1-CE2 3.98Å; Y776-F841 HydrophobicContact CE1-CE2 3.98Å; Y776-L843 HydrophobicContact CD1-CD2 3.63Å; Y776-L843 HydrophobicContact CD2-CD2 4.49Å; Y776-L843 HydrophobicContact CE1-CD2 3.53Å; Y776-L843 HydrophobicContact CE2-CD2 4.4Å; Y776-L843 HydrophobicContact CG-CD2 4.14Å
777	G	93	Very high	95.6	Very high	60 Å²	60	38 Å²	38	62%	0.619	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.2	27.3	-178.6	0	0	0	0	0	114.2	A773 Q774	A773-G777 PolarHBondContact O-N 2.7Å; Q774-G777 PolarHBondContact O-N 3.17Å; Q774-G777 VanDerWaalsContact O-N 3.08Å
778	L	94.4	Very high	95.4	Very high	46 Å²	46	39.5 Å²	39.5	24%	0.241	25%	0.252	C	S	.	.			trans	-91	149.6	175.5	-66.1	176.1	0	0	0	111	P700 A773 Y776 G780	P700-L778 HydrophobicContact CB-CD1 3.92Å; P700-L778 HydrophobicContact CG-CD1 3.82Å; A773-L778 HydrophobicContact CB-CB 4.09Å; A773-L778 PolarHBondContact O-N 3.47Å; Y776-L778 VanDerWaalsContact C-N 3.32Å; L778-G780 PolarHBondContact O-N 3.42Å
779	P	93.9	Very high	95.2	Very high	105 Å²	105	46.5 Å²	46.5	68%	0.682	28%	0.282	S	S	*	.			trans	-68.6	127.6	174.1	28.3	-33.1	0	0	0	110.8
780	G	94.4	Very high	95.1	Very high	42 Å²	42	48.6 Å²	48.6	43%	0.433	29%	0.293	S	S	.	.			trans	-82	177.6	171.4	0	0	0	0	0	113.5	N770 L778	N770-G780 WeakPolarHBondContact OD1-CA 3.38Å; L778-G780 PolarHBondContact O-N 3.42Å
781	S	94.1	Very high	94.9	Very high	39 Å²	39	48.9 Å²	48.9	27%	0.273	30%	0.295	S	S	.	.			trans	-143.7	146.1	175.1	-178.2	0	0	0	0	111.6	L766 N770 D783	L766-S781 WeakPolarHBondContact CD1-O 3.35Å; N770-S781 PolarHBondContact ND2-O 3.05Å; N770-S781 PolarHBondContact OD1-N 2.86Å; N770-S781 PolarHBondContact OD1-O 3.19Å; S781-D783 PolarHBondContact OG-N 3.2Å; S781-D783 VanDerWaalsContact OG-N 3.12Å
782	T	93.1	Very high	94.6	Very high	103 Å²	103	55.3 Å²	55.3	63%	0.632	33%	0.325	S	S	*	.			trans	-105	1.5	171.5	53.3	0	0	0	0	112.7	R784 F856	T782-R784 PolarHBondContact O-N 3.41Å; T782-F856 HydrophobicContact CG2-CE1 4.3Å; T782-F856 HydrophobicContact CG2-CZ 3.82Å
783	D	94.6	Very high	94.4	Very high	87 Å²	87	61.2 Å²	61.2	47%	0.465	36%	0.357	S	S	.	.			trans	-72.9	93.4	178.1	176.3	19.1	0	0	0	111.2	S781 A785 G786 V787	S781-D783 PolarHBondContact OG-N 3.2Å; S781-D783 VanDerWaalsContact OG-N 3.12Å; D783-A785 VanDerWaalsContact C-N 3.29Å; D783-A785 PolarHBondContact O-N 3.32Å; D783-A785 PolarHBondContact OD1-N 2.9Å; D783-A785 VanDerWaalsContact OD1-N 3.11Å; D783-G786 VanDerWaalsContact CG-N 3.3Å; D783-G786 PolarHBondContact O-N 3Å; D783-G786 PolarHBondContact OD1-N 3.29Å; D783-G786 VanDerWaalsContact OD1-N 3.16Å; D783-G786 WeakPolarHBondContact OD2-CA 3.44Å; D783-G786 PolarHBondContact OD2-N 2.95Å; D783-G786 VanDerWaalsContact OD2-N 3.16Å; D783-V787 WeakPolarHBondContact O-CG2 3.49Å; D783-V787 PolarHBondContact O-N 2.86Å
784	R	94	Very high	94.2	Very high	109 Å²	109	62.4 Å²	62.4	41%	0.411	36%	0.364	S	S	.	.	H	α-helix	trans	-56.1	-40.9	176.9	-73	-177	179.2	-113.2	-6.8	112.8	D763 L766 T782 V787 V788	D763-R784 IonicContact OD1-CZ 3.85Å; D763-R784 IonicContact OD1-NH1 2.7Å; D763-R784 PolarHBondContact OD1-NH1 2.88Å; D763-R784 IonicContact OD1-NH2 2.88Å; D763-R784 PolarHBondContact OD1-NH2 3.35Å; L766-R784 HydrophobicContact CD2-CG 4.19Å; T782-R784 PolarHBondContact O-N 3.41Å; R784-V787 PolarHBondContact O-N 2.88Å; R784-V788 WeakPolarHBondContact O-CG2 3.49Å; R784-V788 PolarHBondContact O-N 2.88Å
785	A	93.9	Very high	94.1	Very high	73 Å²	73	67.9 Å²	67.9	60%	0.603	39%	0.387	S	S	*	.	H	α-helix	trans	-67.7	-41.2	-177.6	0	0	0	0	0	111	D783 V788 K789	D783-A785 VanDerWaalsContact C-N 3.29Å; D783-A785 PolarHBondContact O-N 3.32Å; D783-A785 PolarHBondContact OD1-N 2.9Å; D783-A785 VanDerWaalsContact OD1-N 3.11Å; A785-V788 PolarHBondContact O-N 2.65Å; A785-K789 PolarHBondContact O-N 3.35Å; A785-K789 VanDerWaalsContact O-N 3.09Å
786	G	93.3	Very high	94	Very high	22 Å²	22	70.1 Å²	70.1	23%	0.227	40%	0.4	C	S	.	.	H	α-helix	trans	-60	-43.8	172	0	0	0	0	0	112.9	D783 K789 I790	D783-G786 VanDerWaalsContact CG-N 3.3Å; D783-G786 PolarHBondContact O-N 3Å; D783-G786 PolarHBondContact OD1-N 3.29Å; D783-G786 VanDerWaalsContact OD1-N 3.16Å; D783-G786 WeakPolarHBondContact OD2-CA 3.44Å; D783-G786 PolarHBondContact OD2-N 2.95Å; D783-G786 VanDerWaalsContact OD2-N 3.16Å; G786-K789 WeakPolarHBondContact O-CB 3.29Å; G786-K789 PolarHBondContact O-N 3.43Å; G786-I790 WeakPolarHBondContact O-CG1 3.32Å; G786-I790 PolarHBondContact O-N 2.82Å; G786-I790 VanDerWaalsContact O-N 3.13Å
787	V	94.6	Very high	93.9	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	43%	0.425	C	S	.	.	H	α-helix	trans	-62.6	-45.5	176.5	171.1	0	0	0	0	111.5	W703 V707 V765 L766 D783 R784 K789 I790 L791	W703-V787 HydrophobicContact CZ2-CG2 3.9Å; V707-V787 HydrophobicContact CG1-CG1 4.13Å; V707-V787 HydrophobicContact CG2-CG1 4.45Å; V707-V787 HydrophobicContact CG2-CG2 4.35Å; V765-V787 HydrophobicContact CG1-CG1 4.06Å; L766-V787 HydrophobicContact CD1-CG2 3.95Å; D783-V787 WeakPolarHBondContact O-CG2 3.49Å; D783-V787 PolarHBondContact O-N 2.86Å; R784-V787 PolarHBondContact O-N 2.88Å; V787-K789 VanDerWaalsContact C-N 3.25Å; V787-K789 PolarHBondContact O-N 3.1Å; V787-I790 PolarHBondContact O-N 3.3Å; V787-I790 VanDerWaalsContact O-N 3.15Å; V787-L791 HydrophobicContact CG1-CD1 3.92Å; V787-L791 HydrophobicContact CG1-CG 4.31Å; V787-L791 WeakPolarHBondContact O-CG 3.44Å; V787-L791 PolarHBondContact O-N 3.05Å
788	V	94.7	Very high	93.9	Very high	34 Å²	34	77.4 Å²	77.4	21%	0.206	44%	0.437	C	S	.	.	H	α-helix	trans	-58.4	-39	176.5	167.7	0	0	0	0	111.6	T756 V762 R784 A785 L791 Q792	T756-V788 HydrophobicContact CG2-CG1 4.18Å; V762-V788 HydrophobicContact CG1-CG2 4.41Å; V762-V788 HydrophobicContact CG2-CG2 4.36Å; R784-V788 WeakPolarHBondContact O-CG2 3.49Å; R784-V788 PolarHBondContact O-N 2.88Å; A785-V788 PolarHBondContact O-N 2.65Å; V788-L791 PolarHBondContact O-N 2.75Å; V788-Q792 WeakPolarHBondContact O-CG 3.14Å; V788-Q792 PolarHBondContact O-N 2.95Å
789	K	94.6	Very high	93.9	Very high	146 Å²	146	78.1 Å²	78.1	64%	0.635	44%	0.438	S	S	*	.	H	α-helix	trans	-63.7	-44.1	176.2	-171.1	179.7	179.6	-177.6	0	112.1	A785 G786 V787 L791 Q792	A785-K789 PolarHBondContact O-N 3.35Å; A785-K789 VanDerWaalsContact O-N 3.09Å; G786-K789 WeakPolarHBondContact O-CB 3.29Å; G786-K789 PolarHBondContact O-N 3.43Å; V787-K789 VanDerWaalsContact C-N 3.25Å; V787-K789 PolarHBondContact O-N 3.1Å; K789-L791 VanDerWaalsContact C-N 3.31Å; K789-L791 PolarHBondContact O-N 2.69Å; K789-Q792 PolarHBondContact O-N 2.96Å
790	I	95.8	Very high	93.8	Very high	44 Å²	44	78.2 Å²	78.2	23%	0.226	44%	0.437	C	S	.	.	H	α-helix	trans	-61.7	-43.5	176.4	-63.8	166	0	0	0	110.1	A704 V707 G786 V787 Q792 D793 V794	A704-I790 HydrophobicContact CB-CD1 4.39Å; A704-I790 HydrophobicContact CB-CG2 4.2Å; V707-I790 HydrophobicContact CB-CG2 4Å; V707-I790 HydrophobicContact CG1-CB 4.14Å; V707-I790 HydrophobicContact CG1-CG2 3.74Å; V707-I790 HydrophobicContact CG2-CD1 4.38Å; G786-I790 WeakPolarHBondContact O-CG1 3.32Å; G786-I790 PolarHBondContact O-N 2.82Å; G786-I790 VanDerWaalsContact O-N 3.13Å; V787-I790 PolarHBondContact O-N 3.3Å; V787-I790 VanDerWaalsContact O-N 3.15Å; I790-Q792 PolarHBondContact O-N 2.82Å; I790-D793 PolarHBondContact O-N 3.34Å; I790-V794 HydrophobicContact CG2-CG2 4.42Å; I790-V794 WeakPolarHBondContact O-CG2 3.49Å; I790-V794 PolarHBondContact O-N 2.77Å
791	L	94.9	Very high	93.7	Very high	12 Å²	12	78.1 Å²	78.1	6%	0.063	43%	0.428	C	S	.	.	H	α-helix	trans	-58.9	-29.8	-178.3	-76.7	170.4	0	0	0	114.1	V707 R711 F754 T756 V765 V787 V788 K789 D793 V794	V707-L791 HydrophobicContact CG1-CD2 3.93Å; V707-L791 HydrophobicContact CG1-CG 3.98Å; R711-L791 HydrophobicContact CB-CD2 3.59Å; R711-L791 HydrophobicContact CG-CD2 3.78Å; F754-L791 HydrophobicContact CE1-CD1 4.09Å; F754-L791 HydrophobicContact CE1-CD2 4.34Å; F754-L791 HydrophobicContact CZ-CD1 3.82Å; F754-L791 HydrophobicContact CZ-CD2 4.18Å; T756-L791 HydrophobicContact CG2-CB 4.14Å; T756-L791 HydrophobicContact CG2-CD1 4.34Å; V765-L791 HydrophobicContact CG1-CD1 4.26Å; V765-L791 HydrophobicContact CG1-CD2 4.08Å; V765-L791 HydrophobicContact CG1-CG 4.5Å; V765-L791 HydrophobicContact CG2-CD2 4.41Å; V787-L791 HydrophobicContact CG1-CD1 3.92Å; V787-L791 HydrophobicContact CG1-CG 4.31Å; V787-L791 WeakPolarHBondContact O-CG 3.44Å; V787-L791 PolarHBondContact O-N 3.05Å; V788-L791 PolarHBondContact O-N 2.75Å; K789-L791 VanDerWaalsContact C-N 3.31Å; K789-L791 PolarHBondContact O-N 2.69Å; L791-D793 PolarHBondContact O-N 3.2Å; L791-V794 PolarHBondContact O-N 3.31Å
792	Q	91.5	Very high	93.6	Very high	135 Å²	135	84.8 Å²	84.8	63%	0.631	45%	0.448	S	S	*	.	H	α-helix	trans	-65.9	-27.3	177.3	-70.9	172.5	-8.7	0	0	112.8	V788 K789 I790	V788-Q792 WeakPolarHBondContact O-CG 3.14Å; V788-Q792 PolarHBondContact O-N 2.95Å; K789-Q792 PolarHBondContact O-N 2.96Å; I790-Q792 PolarHBondContact O-N 2.82Å
793	D	93.1	Very high	93.2	Very high	133 Å²	133	84.9 Å²	84.9	71%	0.711	45%	0.452	S	S	*	.	H	α-helix	trans	-97.3	-8	-178	-65.6	-35.5	0	0	0	113	I790 L791 K795	I790-D793 PolarHBondContact O-N 3.34Å; L791-D793 PolarHBondContact O-N 3.2Å; D793-K795 PolarHBondContact O-N 3.3Å
794	V	94.7	Very high	92.4	Very high	25 Å²	25	84.8 Å²	84.8	15%	0.152	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-69.2	120.5	-178.9	177.1	0	0	0	0	110.5	A708 R711 I790 L791 V796	A708-V794 HydrophobicContact CB-CG1 4.16Å; A708-V794 HydrophobicContact CB-CG2 4.01Å; R711-V794 HydrophobicContact CB-CG1 4.21Å; R711-V794 HydrophobicContact CG-CB 4.4Å; R711-V794 HydrophobicContact CG-CG1 3.97Å; I790-V794 HydrophobicContact CG2-CG2 4.42Å; I790-V794 WeakPolarHBondContact O-CG2 3.49Å; I790-V794 PolarHBondContact O-N 2.77Å; L791-V794 PolarHBondContact O-N 3.31Å; V794-V796 HydrophobicContact CG1-CG2 4.5Å; V794-V796 PolarHBondContact O-N 3.03Å
795	K	92.6	Very high	91.8	Very high	190 Å²	190	82 Å²	82	83%	0.826	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-79.9	117.3	173.6	-64.7	-177.3	-177	177.6	0	110.2	D793	D793-K795 PolarHBondContact O-N 3.3Å
796	V	93.9	Very high	91.2	Very high	49 Å²	49	85.8 Å²	85.8	30%	0.297	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-98	121.8	176.5	-179	0	0	0	0	109.2	R711 Q715 V794	R711-V796 HydrophobicContact CG-CG2 4.28Å; Q715-V796 HydrophobicContact CB-CG1 3.95Å; Q715-V796 HydrophobicContact CG-CG1 3.45Å; Q715-V796 VanDerWaalsContact CG-CG1 3.45Å; V794-V796 HydrophobicContact CG1-CG2 4.5Å; V794-V796 PolarHBondContact O-N 3.03Å
797	P	93.1	Very high	90.6	Very high	93 Å²	93	86 Å²	86	60%	0.604	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-62.4	140.1	177.6	-22.8	33.5	0	0	0	112.5	N712	N712-P797 WeakPolarHBondContact OD1-CD 3.46Å
798	T	92.4	Very high	90	Very high	139 Å²	139	87.3 Å²	87.3	85%	0.853	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-66.6	134.4	172	-50	0	0	0	0	110.2
799	F	94.7	Very high	89.4	Confident	60 Å²	60	87.7 Å²	87.7	26%	0.263	47%	0.474	S	S	.	.			trans	-106.7	133.2	178.1	178.1	-103.8	0	0	0	111.9	N720 R723 Q724 P801	N720-F799 HydrophobicContact CB-CB 4.13Å; N720-F799 HydrophobicContact CB-CD1 3.75Å; N720-F799 HydrophobicContact CB-CD2 3.82Å; N720-F799 HydrophobicContact CB-CE1 4.09Å; N720-F799 HydrophobicContact CB-CE2 4.16Å; N720-F799 HydrophobicContact CB-CG 3.6Å; N720-F799 HydrophobicContact CB-CZ 4.29Å; N720-F799 VanDerWaalsContact CG-CB 3.42Å; N720-F799 VanDerWaalsContact CG-CG 3.49Å; N720-F799 WeakPolarHBondContact O-CE1 3.47Å; N720-F799 VanDerWaalsContact OD1-CB 3.3Å; N720-F799 WeakPolarHBondContact OD1-CB 3.44Å; R723-F799 HydrophobicContact CB-CD1 4.29Å; R723-F799 HydrophobicContact CB-CE1 4.1Å; Q724-F799 HydrophobicContact CB-CE1 4.34Å; Q724-F799 HydrophobicContact CB-CZ 4.03Å; F799-P801 HydrophobicContact CD1-CG 4.5Å; F799-P801 HydrophobicContact CE1-CB 4.36Å; F799-P801 HydrophobicContact CE1-CG 3.92Å
800	T	93	Very high	88.7	Confident	107 Å²	107	82.8 Å²	82.8	66%	0.656	46%	0.458	S	S	*	.			trans	-122.4	121.1	172	-53	0	0	0	0	108.6
801	P	91.9	Very high	87.8	Confident	40 Å²	40	82.8 Å²	82.8	26%	0.26	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-56.2	141.7	175.5	-23.8	32.5	0	0	0	112	R723 H727 F799	R723-P801 HydrophobicContact CB-CG 4.41Å; H727-P801 HydrophobicContact CB-CB 3.61Å; H727-P801 HydrophobicContact CB-CG 4.16Å; F799-P801 HydrophobicContact CD1-CG 4.5Å; F799-P801 HydrophobicContact CE1-CB 4.36Å; F799-P801 HydrophobicContact CE1-CG 3.92Å
802	R	91.6	Very high	87	Confident	180 Å²	180	89 Å²	89	68%	0.679	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-101.8	135.5	179.6	-68.2	-176.6	-76.1	-178.7	-4.3	110.8	Q724 V805	Q724-R802 PolarHBondContact NE2-O 2.79Å; R802-V805 HydrophobicContact CB-CG2 3.93Å
803	S	85.5	Confident	86.4	Confident	105 Å²	105	86.7 Å²	86.7	73%	0.734	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	141.8	169.8	-51.5	0	0	0	0	110.6	H727	H727-S803 PolarHBondContact NE2-OG 3.42Å
804	G	76.7	Confident	85.4	Confident	84 Å²	84	81.9 Å²	81.9	87%	0.866	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.2	-0.1	180	0	0	0	0	0	115.6	K806	G804-K806 PolarHBondContact O-N 3.03Å
805	V	81.4	Confident	84.2	Confident	52 Å²	52	87.2 Å²	87.2	32%	0.315	47%	0.474	S	S	.	.			trans	-67.2	124.3	167.2	178.7	0	0	0	0	108.3	Q724 N728 R802 I807	Q724-V805 HydrophobicContact CG-CG1 4.48Å; N728-V805 PolarHBondContact ND2-O 3.37Å; R802-V805 HydrophobicContact CB-CG2 3.93Å; V805-I807 HydrophobicContact CG1-CG1 4.39Å
806	K	80.6	Confident	83	Confident	151 Å²	151	83.9 Å²	83.9	66%	0.657	47%	0.465	S	S	*	.			trans	-92.1	124.3	177.9	-166.1	176.7	-177.7	-178.3	0	109.9	G804	G804-K806 PolarHBondContact O-N 3.03Å
807	I	81.6	Confident	81.5	Confident	28 Å²	28	83.2 Å²	83.2	14%	0.144	46%	0.462	C	S	.	.			trans	-116	123.7	173.7	-60.2	179.9	0	0	0	107.3	N636 L725 N728 F729 V805	N636-I807 HydrophobicContact CB-CG2 4.45Å; N636-I807 WeakPolarHBondContact ND2-CG2 3.33Å; L725-I807 HydrophobicContact CB-CD1 4.46Å; L725-I807 HydrophobicContact CD1-CD1 3.75Å; L725-I807 HydrophobicContact CD1-CG2 4.03Å; N728-I807 HydrophobicContact CB-CD1 3.94Å; F729-I807 HydrophobicContact CE2-CB 3.91Å; F729-I807 HydrophobicContact CE2-CG2 3.93Å; F729-I807 HydrophobicContact CZ-CB 4.5Å; V805-I807 HydrophobicContact CG1-CG1 4.39Å
808	H	82.4	Confident	79.7	Confident	27 Å²	27	84 Å²	84	13%	0.125	46%	0.461	C	S	.	.			trans	-78.8	130	-177.7	-62.5	-77.7	0	0	0	111	C632 E813 L814 S817	C632-H808 PolarHBondContact SG-O 2.82Å; H808-E813 HydrophobicContact CB-CB 4.32Å; H808-E813 PolarHBondContact ND1-O 3.41Å; H808-L814 HydrophobicContact CB-CB 4.1Å; H808-L814 HydrophobicContact CB-CD1 4.45Å; H808-L814 VanDerWaalsContact CD2-CD1 3.41Å; H808-L814 WeakPolarHBondContact CD2-CD1 3.35Å; H808-L814 PolarHBondContact ND1-N 3.15Å; H808-S817 PolarHBondContact CE1-OG 2.9Å; H808-S817 PolarHBondContact NE2-OG 2.88Å
809	V	81.9	Confident	77.6	Confident	42 Å²	42	82.5 Å²	82.5	26%	0.255	46%	0.457	S	S	.	.	S	Bend	trans	-88.4	-20.9	-179.2	-172.1	0	0	0	0	111.3	F637 F729 F741 E813	F637-V809 HydrophobicContact CE2-CG1 4.45Å; F729-V809 HydrophobicContact CE1-CG2 3.85Å; F729-V809 HydrophobicContact CE2-CG2 4.38Å; F729-V809 HydrophobicContact CZ-CG2 3.48Å; F729-V809 VanDerWaalsContact CZ-CG2 3.48Å; F741-V809 HydrophobicContact CE2-CG1 3.92Å; F741-V809 HydrophobicContact CE2-CG2 4.24Å; F741-V809 HydrophobicContact CZ-CG1 4.16Å; F741-V809 HydrophobicContact CZ-CG2 4.36Å; V809-E813 PolarHBondContact N-OE2 2.82Å
810	S	79.9	Confident	75.8	Confident	43 Å²	43	84.4 Å²	84.4	30%	0.301	48%	0.477	S	S	.	.	S	Bend	trans	-140.1	156.5	176.1	71.7	0	0	0	0	112.7	C632 Q812 E813 L814	C632-S810 PolarHBondContact SG-O 3.39Å; C632-S810 VanDerWaalsContact SG-O 3.39Å; S810-Q812 PolarHBondContact O-N 3.23Å; S810-E813 WeakPolarHBondContact O-CB 3.45Å; S810-E813 PolarHBondContact O-N 3.36Å; S810-E813 VanDerWaalsContact O-N 3.13Å; S810-E813 WeakPolarHBondContact OG-CG 3.36Å; S810-E813 PolarHBondContact OG-N 3.44Å; S810-L814 PolarHBondContact O-N 3.37Å
811	D	77.1	Confident	74.1	Confident	44 Å²	44	82 Å²	82	24%	0.235	46%	0.462	C	S	.	.	H	α-helix	trans	-61.9	-29.7	176.8	-75.1	10.1	0	0	0	111.9	P630 I631 C632 L814 Q815	P630-D811 WeakPolarHBondContact CA-OD2 3.5Å; I631-D811 PolarHBondContact N-OD1 3.38Å; I631-D811 VanDerWaalsContact N-OD1 3.11Å; I631-D811 PolarHBondContact N-OD2 2.82Å; C632-D811 WeakPolarHBondContact CB-OD1 3.4Å; C632-D811 PolarHBondContact N-OD1 2.89Å; D811-L814 WeakPolarHBondContact O-CB 3.35Å; D811-L814 PolarHBondContact O-N 3.1Å; D811-Q815 WeakPolarHBondContact O-CG 3.45Å; D811-Q815 PolarHBondContact O-N 3.09Å
812	Q	77.4	Confident	73.1	Confident	142 Å²	142	84.4 Å²	84.4	66%	0.664	47%	0.473	S	S	*	.	H	α-helix	trans	-65.9	-39.5	176.1	-166.8	173.6	22.3	0	0	111.8	S810 L814 N816	S810-Q812 PolarHBondContact O-N 3.23Å; Q812-L814 VanDerWaalsContact C-N 3.34Å; Q812-N816 VanDerWaalsContact O-CG 3.24Å; Q812-N816 PolarHBondContact O-N 2.84Å; Q812-N816 PolarHBondContact O-ND2 3.27Å
813	E	78	Confident	72.3	Confident	87 Å²	87	80.9 Å²	80.9	41%	0.407	47%	0.467	S	S	.	.	H	α-helix	trans	-65.8	-37.2	173.9	-72.2	176.7	179	0	0	112.3	H808 V809 S810 S817	H808-E813 HydrophobicContact CB-CB 4.32Å; H808-E813 PolarHBondContact ND1-O 3.41Å; V809-E813 PolarHBondContact N-OE2 2.82Å; S810-E813 WeakPolarHBondContact O-CB 3.45Å; S810-E813 PolarHBondContact O-N 3.36Å; S810-E813 VanDerWaalsContact O-N 3.13Å; S810-E813 WeakPolarHBondContact OG-CG 3.36Å; S810-E813 PolarHBondContact OG-N 3.44Å; E813-S817 PolarHBondContact O-N 3.43Å; E813-S817 PolarHBondContact O-OG 2.89Å
814	L	72.4	Confident	72.2	Confident	31 Å²	31	80.2 Å²	80.2	16%	0.162	46%	0.463	C	S	.	.	H	α-helix	trans	-66.3	-44.3	178.8	-177.8	70.3	0	0	0	111.5	I631 H808 S810 D811 Q812 N816 S817	I631-L814 HydrophobicContact CB-CD2 4.27Å; I631-L814 HydrophobicContact CD1-CD2 4.47Å; I631-L814 HydrophobicContact CG2-CD2 3.8Å; H808-L814 HydrophobicContact CB-CB 4.1Å; H808-L814 HydrophobicContact CB-CD1 4.45Å; H808-L814 VanDerWaalsContact CD2-CD1 3.41Å; H808-L814 WeakPolarHBondContact CD2-CD1 3.35Å; H808-L814 PolarHBondContact ND1-N 3.15Å; S810-L814 PolarHBondContact O-N 3.37Å; D811-L814 WeakPolarHBondContact O-CB 3.35Å; D811-L814 PolarHBondContact O-N 3.1Å; Q812-L814 VanDerWaalsContact C-N 3.34Å; L814-N816 VanDerWaalsContact C-N 3.33Å; L814-N816 PolarHBondContact O-N 2.92Å; L814-S817 PolarHBondContact O-N 3.39Å; L814-S817 PolarHBondContact O-OG 2.93Å
815	Q	69.4	Low	72.5	Confident	138 Å²	138	79.9 Å²	79.9	65%	0.645	44%	0.438	S	S	*	.	H	α-helix	trans	-63.4	-39.2	178.4	-72.4	175.5	3.9	0	0	112	D811 S817	D811-Q815 WeakPolarHBondContact O-CG 3.45Å; D811-Q815 PolarHBondContact O-N 3.09Å; Q815-S817 VanDerWaalsContact C-N 3.27Å; Q815-S817 PolarHBondContact O-N 3.07Å
816	N	67.1	Low	72.7	Confident	120 Å²	120	78 Å²	78	64%	0.642	43%	0.426	S	S	*	.	H	α-helix	trans	-70	-19.9	-179.2	-71.6	-18.2	0	0	0	113.9	Q812 L814	Q812-N816 VanDerWaalsContact O-CG 3.24Å; Q812-N816 PolarHBondContact O-N 2.84Å; Q812-N816 PolarHBondContact O-ND2 3.27Å; L814-N816 VanDerWaalsContact C-N 3.33Å; L814-N816 PolarHBondContact O-N 2.92Å
817	S	62.4	Low	73	Confident	34 Å²	34	75.9 Å²	75.9	24%	0.238	42%	0.418	C	S	.	.	H	α-helix	trans	-94.5	-7	-178.6	49.8	0	0	0	0	115.7	H808 E813 L814 Q815 S819	H808-S817 PolarHBondContact CE1-OG 2.9Å; H808-S817 PolarHBondContact NE2-OG 2.88Å; E813-S817 PolarHBondContact O-N 3.43Å; E813-S817 PolarHBondContact O-OG 2.89Å; L814-S817 PolarHBondContact O-N 3.39Å; L814-S817 PolarHBondContact O-OG 2.93Å; Q815-S817 VanDerWaalsContact C-N 3.27Å; Q815-S817 PolarHBondContact O-N 3.07Å; S817-S819 PolarHBondContact O-N 3.22Å
818	N	55.7	Low	73.3	Confident	110 Å²	110	79.5 Å²	79.5	59%	0.588	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	26.3	-174.1	-87.3	-12.9	0	0	0	115.1
819	S	49.1	Very low	73.6	Confident	108 Å²	108	78.6 Å²	78.6	76%	0.755	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	1.4	-167.7	43.3	0	0	0	0	115.8	S817	S817-S819 PolarHBondContact O-N 3.22Å
820	S	55.6	Low	74	Confident	99 Å²	99	79.7 Å²	79.7	69%	0.692	43%	0.432	S	S	*	.			trans	-120.3	116.5	175.6	63.7	0	0	0	0	113
821	V	59.2	Low	74.3	Confident	57 Å²	57	82.1 Å²	82.1	35%	0.345	45%	0.449	S	S	.	.			trans	-80.3	128.8	168.4	-173.9	0	0	0	0	108.3	D823 L826	V821-D823 WeakPolarHBondContact CG1-OD1 3.48Å; V821-D823 PolarHBondContact O-N 3.36Å; V821-L826 HydrophobicContact CG1-CD2 4.44Å
822	D	69.9	Low	74.9	Confident	91 Å²	91	83.6 Å²	83.6	49%	0.487	45%	0.454	S	S	.	.			trans	-79.4	78.7	167.7	-173.3	-8.4	0	0	0	108.8	S824 K825 L826	D822-S824 PolarHBondContact O-N 3.23Å; D822-S824 PolarHBondContact OD1-N 3.07Å; D822-K825 HydrophobicContact CB-CB 4.23Å; D822-K825 PolarHBondContact O-N 3.11Å; D822-K825 PolarHBondContact OD1-N 2.99Å; D822-K825 WeakPolarHBondContact OD2-CB 3.36Å; D822-L826 PolarHBondContact O-N 2.83Å; D822-L826 VanDerWaalsContact O-N 3.08Å
823	D	75.8	Confident	75.4	Confident	105 Å²	105	77.6 Å²	77.6	56%	0.561	43%	0.427	S	S	*	.	H	α-helix	trans	-58.5	-29.3	-177.8	-72.2	-33.6	0	0	0	111.9	V821 L826 E827	V821-D823 WeakPolarHBondContact CG1-OD1 3.48Å; V821-D823 PolarHBondContact O-N 3.36Å; D823-L826 PolarHBondContact O-N 2.97Å; D823-E827 WeakPolarHBondContact O-CG 3.45Å; D823-E827 PolarHBondContact O-N 3.05Å
824	S	82.4	Confident	75.6	Confident	92 Å²	92	75.3 Å²	75.3	64%	0.643	42%	0.419	S	S	*	.	H	α-helix	trans	-66	-48.3	177.7	-173	0	0	0	0	111.4	D822 L826 E827 E828	D822-S824 PolarHBondContact O-N 3.23Å; D822-S824 PolarHBondContact OD1-N 3.07Å; S824-L826 VanDerWaalsContact C-N 3.29Å; S824-L826 PolarHBondContact O-N 3.14Å; S824-E827 PolarHBondContact O-N 3.39Å; S824-E828 PolarHBondContact O-N 3.37Å; S824-E828 VanDerWaalsContact O-N 3.13Å
825	K	82.9	Confident	76	Confident	77 Å²	77	78.2 Å²	78.2	34%	0.335	44%	0.439	S	S	.	.	H	α-helix	trans	-65.7	-35.1	177.1	-173.6	172.7	179.7	-168.9	0	111.6	V685 D689 D822 E828 L829	V685-K825 HydrophobicContact CG1-CD 4.06Å; V685-K825 HydrophobicContact CG1-CG 4.29Å; D689-K825 WeakPolarHBondContact OD1-CE 3.32Å; D689-K825 IonicContact OD1-NZ 2.83Å; D689-K825 PolarHBondContact OD1-NZ 2.67Å; D822-K825 HydrophobicContact CB-CB 4.23Å; D822-K825 PolarHBondContact O-N 3.11Å; D822-K825 PolarHBondContact OD1-N 2.99Å; D822-K825 WeakPolarHBondContact OD2-CB 3.36Å; K825-E828 PolarHBondContact O-N 3.46Å; K825-L829 HydrophobicContact CG-CD1 4.34Å; K825-L829 WeakPolarHBondContact O-CG 3.37Å; K825-L829 PolarHBondContact O-N 3.49Å
826	L	85.8	Confident	76.4	Confident	12 Å²	12	74.3 Å²	74.3	6%	0.063	43%	0.425	C	S	.	.	H	α-helix	trans	-63.4	-44.4	177.3	-173.4	60.1	0	0	0	112.2	L677 P684 V685 L688 V821 D822 D823 S824 L829 K830	L677-L826 HydrophobicContact CD2-CD1 4.11Å; L677-L826 HydrophobicContact CD2-CD2 4.14Å; L677-L826 HydrophobicContact CD2-CG 4.37Å; P684-L826 HydrophobicContact CB-CD1 4.06Å; P684-L826 HydrophobicContact CB-CD2 4.42Å; V685-L826 HydrophobicContact CG2-CB 3.93Å; V685-L826 HydrophobicContact CG2-CD1 3.99Å; V685-L826 HydrophobicContact CG2-CG 4.42Å; L688-L826 HydrophobicContact CD1-CD1 3.67Å; V821-L826 HydrophobicContact CG1-CD2 4.44Å; D822-L826 PolarHBondContact O-N 2.83Å; D822-L826 VanDerWaalsContact O-N 3.08Å; D823-L826 PolarHBondContact O-N 2.97Å; S824-L826 VanDerWaalsContact C-N 3.29Å; S824-L826 PolarHBondContact O-N 3.14Å; L826-L829 PolarHBondContact O-N 3.12Å; L826-K830 WeakPolarHBondContact O-CG 3.26Å; L826-K830 PolarHBondContact O-N 2.83Å; L826-K830 VanDerWaalsContact O-N 3.14Å
827	E	86.8	Confident	76.5	Confident	107 Å²	107	77.5 Å²	77.5	50%	0.5	44%	0.436	S	S	.	.	H	α-helix	trans	-66.5	-37.5	175.9	-70.3	-53.5	136.1	0	0	112.5	D823 S824 K830 S831	D823-E827 WeakPolarHBondContact O-CG 3.45Å; D823-E827 PolarHBondContact O-N 3.05Å; S824-E827 PolarHBondContact O-N 3.39Å; E827-K830 PolarHBondContact O-N 2.95Å; E827-K830 IonicContact OE1-NZ 2.87Å; E827-K830 PolarHBondContact OE1-NZ 3.18Å; E827-K830 IonicContact OE2-NZ 3.74Å; E827-S831 PolarHBondContact O-N 2.98Å; E827-S831 VanDerWaalsContact O-N 3.16Å
828	E	88.9	Confident	76.7	Confident	104 Å²	104	79.3 Å²	79.3	49%	0.486	45%	0.449	S	S	.	.	H	α-helix	trans	-60	-49.9	174.5	-174.1	177.7	-174.8	0	0	111.4	S824 K825 K830 S831 Q832	S824-E828 PolarHBondContact O-N 3.37Å; S824-E828 VanDerWaalsContact O-N 3.13Å; K825-E828 PolarHBondContact O-N 3.46Å; E828-K830 VanDerWaalsContact C-N 3.33Å; E828-K830 PolarHBondContact O-N 2.85Å; E828-S831 PolarHBondContact O-N 3.46Å; E828-S831 VanDerWaalsContact O-N 3.07Å; E828-S831 PolarHBondContact O-OG 3.22Å; E828-Q832 VanDerWaalsContact CG-NE2 3.31Å; E828-Q832 WeakPolarHBondContact O-CG 3.3Å; E828-Q832 PolarHBondContact O-N 3.38Å; E828-Q832 VanDerWaalsContact O-N 3.11Å; E828-Q832 PolarHBondContact OE1-NE2 3.07Å
829	L	89	Confident	77.4	Confident	8 Å²	8	76.1 Å²	76.1	4%	0.042	43%	0.43	C	S	.	.	H	α-helix	trans	-58.6	-42.4	178.1	-74.6	168.3	0	0	0	112.1	V685 L688 D689 Y692 K825 L826 S831 Q832 L833	V685-L829 HydrophobicContact CG1-CD1 4.19Å; L688-L829 HydrophobicContact CB-CB 4.38Å; L688-L829 HydrophobicContact CB-CD1 4.19Å; D689-L829 HydrophobicContact CB-CD1 4.11Å; Y692-L829 HydrophobicContact CD1-CD2 4.12Å; Y692-L829 HydrophobicContact CG-CD2 3.97Å; K825-L829 HydrophobicContact CG-CD1 4.34Å; K825-L829 WeakPolarHBondContact O-CG 3.37Å; K825-L829 PolarHBondContact O-N 3.49Å; L826-L829 PolarHBondContact O-N 3.12Å; L829-S831 VanDerWaalsContact C-N 3.26Å; L829-S831 PolarHBondContact O-N 3.26Å; L829-Q832 PolarHBondContact O-N 2.86Å; L829-L833 VanDerWaalsContact O-CG 3.23Å; L829-L833 WeakPolarHBondContact O-CG 3.2Å; L829-L833 PolarHBondContact O-N 3.19Å; L829-L833 VanDerWaalsContact O-N 3.07Å
830	K	88.3	Confident	78.3	Confident	65 Å²	65	82.9 Å²	82.9	28%	0.283	44%	0.439	S	S	.	.	H	α-helix	trans	-58.2	-39.4	175.9	-72.9	171.1	-173.8	170.4	0	112.3	M673 L688 L826 E827 E828	M673-K830 HydrophobicContact CE-CG 4.21Å; L688-K830 HydrophobicContact CD1-CG 4.48Å; L826-K830 WeakPolarHBondContact O-CG 3.26Å; L826-K830 PolarHBondContact O-N 2.83Å; L826-K830 VanDerWaalsContact O-N 3.14Å; E827-K830 PolarHBondContact O-N 2.95Å; E827-K830 IonicContact OE1-NZ 2.87Å; E827-K830 PolarHBondContact OE1-NZ 3.18Å; E827-K830 IonicContact OE2-NZ 3.74Å; E828-K830 VanDerWaalsContact C-N 3.33Å; E828-K830 PolarHBondContact O-N 2.85Å
831	S	87.5	Confident	79	Confident	94 Å²	94	81.4 Å²	81.4	66%	0.657	42%	0.42	S	S	*	.	H	α-helix	trans	-74.5	-29.9	-177.8	75.2	0	0	0	0	113.5	E827 E828 L829	E827-S831 PolarHBondContact O-N 2.98Å; E827-S831 VanDerWaalsContact O-N 3.16Å; E828-S831 PolarHBondContact O-N 3.46Å; E828-S831 VanDerWaalsContact O-N 3.07Å; E828-S831 PolarHBondContact O-OG 3.22Å; L829-S831 VanDerWaalsContact C-N 3.26Å; L829-S831 PolarHBondContact O-N 3.26Å
832	Q	88.6	Confident	80	Confident	74 Å²	74	86.4 Å²	86.4	35%	0.346	44%	0.437	S	S	.	.	H	α-helix	trans	-91.6	-17.3	-176	-65.8	-178.6	10.8	0	0	113.4	Y692 E828 L829 P834	Y692-Q832 HydrophobicContact CD2-CB 4.25Å; Y692-Q832 HydrophobicContact CE2-CB 3.65Å; Y692-Q832 PolarHBondContact OH-OE1 3.3Å; E828-Q832 VanDerWaalsContact CG-NE2 3.31Å; E828-Q832 WeakPolarHBondContact O-CG 3.3Å; E828-Q832 PolarHBondContact O-N 3.38Å; E828-Q832 VanDerWaalsContact O-N 3.11Å; E828-Q832 PolarHBondContact OE1-NE2 3.07Å; L829-Q832 PolarHBondContact O-N 2.86Å; Q832-P834 WeakPolarHBondContact O-CD 3.38Å
833	L	88.1	Confident	81	Confident	16 Å²	16	82.5 Å²	82.5	8%	0.084	42%	0.416	C	S	.	.	S	Bend	trans	-68.9	119.8	177.8	-79.7	168.7	0	0	0	111	Y666 L688 V691 Y692 V695 L829	Y666-L833 HydrophobicContact CE2-CD1 4.49Å; L688-L833 HydrophobicContact CB-CD1 4.36Å; L688-L833 HydrophobicContact CD2-CD1 3.89Å; V691-L833 HydrophobicContact CB-CD2 4.38Å; V691-L833 HydrophobicContact CG1-CD2 3.75Å; Y692-L833 HydrophobicContact CD2-CD2 4.26Å; V695-L833 HydrophobicContact CG2-CD2 4.23Å; L829-L833 VanDerWaalsContact O-CG 3.23Å; L829-L833 WeakPolarHBondContact O-CG 3.2Å; L829-L833 PolarHBondContact O-N 3.19Å; L829-L833 VanDerWaalsContact O-N 3.07Å
834	P	82.7	Confident	81.8	Confident	39 Å²	39	79.8 Å²	79.8	25%	0.253	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-73.3	154.5	-178.6	32.1	-39.7	0	0	0	112.3	Y666 V695 V696 Q832 F839	Y666-P834 PolarHBondContact OH-O 3.07Å; V695-P834 HydrophobicContact CG2-CG 4.35Å; V696-P834 HydrophobicContact CG2-CG 4.06Å; Q832-P834 WeakPolarHBondContact O-CD 3.38Å; P834-F839 HydrophobicContact CB-CE2 4.2Å; P834-F839 HydrophobicContact CB-CZ 4.16Å; P834-F839 HydrophobicContact CG-CE1 4.31Å; P834-F839 HydrophobicContact CG-CE2 3.64Å; P834-F839 HydrophobicContact CG-CZ 3.24Å
835	T	81.6	Confident	82.4	Confident	92 Å²	92	77 Å²	77	56%	0.564	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-67	141.4	-178.8	52.2	0	0	0	0	112.3	E837 S838	T835-E837 PolarHBondContact O-N 2.85Å; T835-S838 WeakPolarHBondContact O-CB 3.37Å; T835-S838 PolarHBondContact O-N 3.4Å; T835-S838 PolarHBondContact O-OG 3.47Å
836	P	77.8	Confident	83	Confident	56 Å²	56	74 Å²	74	36%	0.364	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-53.8	-27.8	-178	-31.4	37	0	0	0	115.7	Y666 L667 S838	Y666-P836 HydrophobicContact CE1-CG 4.35Å; L667-P836 HydrophobicContact CD2-CB 4.32Å; P836-S838 PolarHBondContact O-N 2.84Å
837	E	69.6	Low	83.3	Confident	188 Å²	188	78.7 Å²	78.7	88%	0.879	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-67.4	-15.3	-179.6	-65.1	164.2	-178.2	0	0	113.7	T835	T835-E837 PolarHBondContact O-N 2.85Å
838	S	66.1	Low	83.6	Confident	72 Å²	72	75.5 Å²	75.5	50%	0.503	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-83.8	-6.6	-177.1	65	0	0	0	0	114.6	T835 P836	T835-S838 WeakPolarHBondContact O-CB 3.37Å; T835-S838 PolarHBondContact O-N 3.4Å; T835-S838 PolarHBondContact O-OG 3.47Å; P836-S838 PolarHBondContact O-N 2.84Å
839	F	70.3	Confident	83.6	Confident	42 Å²	42	73.7 Å²	73.7	18%	0.184	37%	0.374	C	S	.	.			trans	-100	137.1	-168.5	-68.6	-80.7	0	0	0	114.3	L667 V695 P834 F841	L667-F839 HydrophobicContact CD2-CB 4.16Å; L667-F839 HydrophobicContact CD2-CD1 4.47Å; L667-F839 HydrophobicContact CD2-CD2 3.19Å; L667-F839 HydrophobicContact CD2-CE2 3.51Å; L667-F839 HydrophobicContact CD2-CG 3.69Å; L667-F839 HydrophobicContact CD2-CZ 4.25Å; V695-F839 HydrophobicContact CB-CE1 3.72Å; V695-F839 HydrophobicContact CB-CZ 3.66Å; V695-F839 HydrophobicContact CG1-CE1 4.4Å; V695-F839 HydrophobicContact CG1-CZ 4.35Å; V695-F839 HydrophobicContact CG2-CE1 4.44Å; V695-F839 HydrophobicContact CG2-CZ 3.93Å; P834-F839 HydrophobicContact CB-CE2 4.2Å; P834-F839 HydrophobicContact CB-CZ 4.16Å; P834-F839 HydrophobicContact CG-CE1 4.31Å; P834-F839 HydrophobicContact CG-CE2 3.64Å; P834-F839 HydrophobicContact CG-CZ 3.24Å; F839-F841 HydrophobicContact CD1-CD1 4.43Å; F839-F841 AromaticContact CD1-CE1 3.58Å; F839-F841 HydrophobicContact CD1-CE1 3.58Å; F839-F841 AromaticContact CD1-CZ 3.86Å; F839-F841 HydrophobicContact CD1-CZ 3.86Å; F839-F841 HydrophobicContact CE1-CE1 4.09Å; F839-F841 HydrophobicContact CE1-CZ 4.14Å
840	R	67	Low	83.6	Confident	251 Å²	251	75.2 Å²	75.2	95%	0.947	38%	0.38	S	S	*	.			trans	-125.4	9.9	-178.5	-67	-168.2	-179.9	-169.5	1.7	115.2
841	F	71.9	Confident	83.3	Confident	67 Å²	67	73.9 Å²	73.9	29%	0.294	38%	0.376	S	S	.	.			trans	-113.5	156.5	176.5	61.2	-93.6	0	0	0	111.3	Y776 F839 L843	Y776-F841 HydrophobicContact CD1-CD2 4.07Å; Y776-F841 AromaticContact CD1-CE2 3.93Å; Y776-F841 HydrophobicContact CD1-CE2 3.93Å; Y776-F841 AromaticContact CE1-CE2 3.98Å; Y776-F841 HydrophobicContact CE1-CE2 3.98Å; F839-F841 HydrophobicContact CD1-CD1 4.43Å; F839-F841 AromaticContact CD1-CE1 3.58Å; F839-F841 HydrophobicContact CD1-CE1 3.58Å; F839-F841 AromaticContact CD1-CZ 3.86Å; F839-F841 HydrophobicContact CD1-CZ 3.86Å; F839-F841 HydrophobicContact CE1-CE1 4.09Å; F839-F841 HydrophobicContact CE1-CZ 4.14Å; F841-L843 HydrophobicContact CD2-CD2 4.29Å; F841-L843 HydrophobicContact CD2-CG 4.23Å; F841-L843 HydrophobicContact CE2-CD1 4.38Å; F841-L843 HydrophobicContact CE2-CD2 3.94Å; F841-L843 HydrophobicContact CE2-CG 3.93Å
842	K	79.7	Confident	83.1	Confident	163 Å²	163	72.9 Å²	72.9	71%	0.709	36%	0.364	S	S	*	.			trans	-108.6	118.4	-179.9	-175.2	-174.9	175.7	-164.2	0	109.1
843	L	89.6	Confident	83	Confident	9 Å²	9	73.6 Å²	73.6	5%	0.047	37%	0.37	C	S	.	.			trans	-77.1	138.7	169.7	-69.2	170.9	0	0	0	110.4	P660 A663 L667 T775 Y776 F841	P660-L843 HydrophobicContact CB-CB 4.44Å; A663-L843 HydrophobicContact CB-CD1 3.46Å; A663-L843 VanDerWaalsContact CB-CD1 3.46Å; L667-L843 HydrophobicContact CD1-CD1 4.5Å; T775-L843 HydrophobicContact CG2-CD2 4.23Å; T775-L843 CarbonylContact O-C 3.5Å; T775-L843 WeakPolarHBondContact O-CA 3.4Å; Y776-L843 HydrophobicContact CD1-CD2 3.63Å; Y776-L843 HydrophobicContact CD2-CD2 4.49Å; Y776-L843 HydrophobicContact CE1-CD2 3.53Å; Y776-L843 HydrophobicContact CE2-CD2 4.4Å; Y776-L843 HydrophobicContact CG-CD2 4.14Å; F841-L843 HydrophobicContact CD2-CD2 4.29Å; F841-L843 HydrophobicContact CD2-CG 4.23Å; F841-L843 HydrophobicContact CE2-CD1 4.38Å; F841-L843 HydrophobicContact CE2-CD2 3.94Å; F841-L843 HydrophobicContact CE2-CG 3.93Å
844	S	92.9	Very high	83.1	Confident	48 Å²	48	76.4 Å²	76.4	34%	0.336	40%	0.395	S	S	.	.			trans	-126.7	93.6	177.7	-54.6	0	0	0	0	108.7	T775	T775-S844 WeakPolarHBondContact CA-O 3.31Å; T775-S844 PolarHBondContact O-N 3.04Å
845	P	95.1	Very high	83.6	Confident	34 Å²	34	75.3 Å²	75.3	22%	0.221	39%	0.387	C	S	.	.			trans	-55.3	143.2	171.3	-22.9	33.4	0	0	0	111.4	P660 E661 M664	P660-P845 HydrophobicContact CB-CG 4.26Å; P660-P845 HydrophobicContact CG-CB 4.29Å; P660-P845 HydrophobicContact CG-CG 4.46Å; E661-P845 HydrophobicContact CB-CG 4.32Å; E661-P845 HydrophobicContact CG-CB 3.63Å; E661-P845 HydrophobicContact CG-CG 3.48Å; E661-P845 VanDerWaalsContact CG-CG 3.48Å; M664-P845 HydrophobicContact CE-CG 4.31Å
846	I	96.3	Very high	84.3	Confident	14 Å²	14	72.8 Å²	72.8	7%	0.072	37%	0.369	C	S	.	.			trans	-103.7	113.5	-176	-58	-177.8	0	0	0	109.4	F652 F656 L771 Q774 H857	F652-I846 HydrophobicContact CZ-CG2 3.85Å; F656-I846 HydrophobicContact CB-CB 4.2Å; F656-I846 HydrophobicContact CB-CD1 4.22Å; F656-I846 HydrophobicContact CB-CG1 4.45Å; F656-I846 PolarHBondContact O-N 3.31Å; L771-I846 HydrophobicContact CB-CD1 4.23Å; L771-I846 HydrophobicContact CD2-CD1 4.02Å; L771-I846 WeakPolarHBondContact O-CD1 3.31Å; Q774-I846 HydrophobicContact CB-CD1 3.9Å; I846-H857 WeakPolarHBondContact CG2-NE2 3.38Å
847	D	92.2	Very high	85.2	Confident	109 Å²	109	70.6 Å²	70.6	58%	0.583	35%	0.353	S	S	*	.			trans	-75.9	132.1	169.2	-76.1	-54.8	0	0	0	110.3	K657 E849 H857	K657-D847 WeakPolarHBondContact CE-OD1 3.42Å; K657-D847 IonicContact NZ-OD1 3.92Å; K657-D847 PolarHBondContact NZ-OD1 2.85Å; D847-E849 PolarHBondContact O-N 3.5Å; D847-H857 PolarHBondContact O-CE1 3.46Å
848	F	93.7	Very high	86.5	Confident	40 Å²	40	61.6 Å²	61.6	18%	0.175	31%	0.312	C	S	.	.			trans	-67.2	115.8	-179.6	176.2	-110.2	0	0	0	111.8	F652 K850 H857 M858 I861	F652-F848 HydrophobicContact CD1-CB 4.25Å; F652-F848 HydrophobicContact CD1-CD2 4.2Å; F652-F848 HydrophobicContact CE1-CB 3.71Å; F652-F848 AromaticContact CE1-CD2 3.95Å; F652-F848 HydrophobicContact CE1-CD2 3.95Å; F652-F848 HydrophobicContact CE1-CG 4.31Å; F652-F848 HydrophobicContact CZ-CB 4.48Å; F652-F848 HydrophobicContact CZ-CD2 4.22Å; F848-K850 HydrophobicContact CE1-CB 3.82Å; F848-K850 HydrophobicContact CZ-CB 3.69Å; F848-H857 HydrophobicContact CD2-CB 4Å; F848-H857 HydrophobicContact CE2-CB 4Å; F848-M858 HydrophobicContact CE2-SD 4.14Å; F848-M858 HydrophobicContact CZ-SD 3.88Å; F848-I861 HydrophobicContact CD2-CD1 4.08Å; F848-I861 HydrophobicContact CE2-CD1 3.36Å; F848-I861 HydrophobicContact CZ-CD1 3.86Å
849	E	88.8	Confident	88	Confident	67 Å²	67	60.6 Å²	60.6	31%	0.313	30%	0.301	S	S	.	.			trans	-114.4	122.1	168.1	-179.5	52.2	-98.3	0	0	110.5	D847 D851 D852 N855 H857	D847-E849 PolarHBondContact O-N 3.5Å; E849-D851 PolarHBondContact OE1-N 3.14Å; E849-D852 HydrophobicContact CG-CB 3.96Å; E849-N855 PolarHBondContact O-ND2 3.04Å; E849-N855 VanDerWaalsContact O-ND2 3.1Å; E849-H857 PolarHBondContact N-CE1 2.88Å; E849-H857 PolarHBondContact N-ND1 3.08Å; E849-H857 PolarHBondContact O-ND1 3.42Å
850	K	88.3	Confident	89.3	Confident	40 Å²	40	58.6 Å²	58.6	17%	0.174	29%	0.292	C	S	.	.	S	Bend	trans	-92.9	-21.7	-176.4	71.2	-148.4	170.2	-51.6	0	113	R57 F848 M858 K883 I889	R57-K850 VanDerWaalsContact NH2-CE 3.32Å; F848-K850 HydrophobicContact CE1-CB 3.82Å; F848-K850 HydrophobicContact CZ-CB 3.69Å; K850-M858 HydrophobicContact CB-SD 4.44Å; K850-K883 WeakPolarHBondContact O-CE 3.35Å; K850-K883 PolarHBondContact O-NZ 2.9Å; K850-I889 HydrophobicContact CD-CG1 4.25Å
851	D	82	Confident	90.8	Very high	36 Å²	36	46.7 Å²	46.7	19%	0.193	25%	0.247	C	C	.	.	S	Bend	trans	-98.6	4.2	-170.8	-70	-53	0	0	0	113.8	R57 E849 K883	R57-D851 IonicContact NH2-OD1 3.32Å; R57-D851 IonicContact NH2-OD2 2.76Å; R57-D851 PolarHBondContact NH2-OD2 3.38Å; E849-D851 PolarHBondContact OE1-N 3.14Å; D851-K883 WeakPolarHBondContact OD1-CE 3.45Å; D851-K883 IonicContact OD1-NZ 2.7Å; D851-K883 PolarHBondContact OD1-NZ 3.37Å
852	D	84.2	Confident	92	Very high	74 Å²	74	44.6 Å²	44.6	40%	0.396	24%	0.239	S	C	.	.			trans	-110.4	112.1	169.6	174.5	10.5	0	0	0	110.1	E849 A854 N855	E849-D852 HydrophobicContact CG-CB 3.96Å; D852-A854 VanDerWaalsContact C-N 3.28Å; D852-A854 PolarHBondContact O-N 3.39Å; D852-A854 WeakPolarHBondContact OD1-CB 3.21Å; D852-A854 PolarHBondContact OD1-N 2.85Å; D852-N855 WeakPolarHBondContact CB-ND2 3.46Å; D852-N855 PolarHBondContact O-ND2 3.12Å; D852-N855 PolarHBondContact O-OD1 3.04Å
853	D	85.4	Confident	92.9	Very high	88 Å²	88	36.9 Å²	36.9	47%	0.471	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-4.8	-178.6	-70.4	-45.4	0	0	0	113.6	R879	D853-R879 IonicContact OD1-CZ 3.81Å; D853-R879 VanDerWaalsContact OD1-CZ 3.28Å; D853-R879 IonicContact OD1-NE 3.51Å; D853-R879 PolarHBondContact OD1-NE 2.92Å; D853-R879 IonicContact OD1-NH2 2.68Å; D853-R879 PolarHBondContact OD1-NH2 3.23Å
854	A	89.2	Confident	93.4	Very high	76 Å²	76	36.5 Å²	36.5	63%	0.628	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97	-7.3	-178.7	0	0	0	0	0	113.8	D852	D852-A854 VanDerWaalsContact C-N 3.28Å; D852-A854 PolarHBondContact O-N 3.39Å; D852-A854 WeakPolarHBondContact OD1-CB 3.21Å; D852-A854 PolarHBondContact OD1-N 2.85Å
855	N	93.6	Very high	93.6	Very high	15 Å²	15	34.2 Å²	34.2	8%	0.08	19%	0.188	C	C	.	.	S	Bend	trans	-90.7	-2.7	-173	67.1	18.7	0	0	0	115	L771 E849 D852 H857	L771-N855 WeakPolarHBondContact CD2-O 3.24Å; E849-N855 PolarHBondContact O-ND2 3.04Å; E849-N855 VanDerWaalsContact O-ND2 3.1Å; D852-N855 WeakPolarHBondContact CB-ND2 3.46Å; D852-N855 PolarHBondContact O-ND2 3.12Å; D852-N855 PolarHBondContact O-OD1 3.04Å; N855-H857 PolarHBondContact ND2-CE1 3Å; N855-H857 VanDerWaalsContact ND2-CE1 3.3Å; N855-H857 PolarHBondContact ND2-ND1 2.85Å; N855-H857 PolarHBondContact O-CD2 3.03Å; N855-H857 PolarHBondContact O-N 3.37Å; N855-H857 VanDerWaalsContact OD1-CB 3.25Å; N855-H857 WeakPolarHBondContact OD1-CB 3.29Å; N855-H857 PolarHBondContact OD1-CD2 3.07Å; N855-H857 PolarHBondContact OD1-N 3.33Å
856	F	97.2	Very high	93.8	Very high	40 Å²	40	33.4 Å²	33.4	18%	0.175	18%	0.182	C	C	.	.	S	Bend	trans	68	4	-176.8	-49.8	-82.1	0	0	0	116.7	A767 N770 L771 T782 D859 F860	A767-F856 HydrophobicContact CB-CB 4.25Å; N770-F856 HydrophobicContact CB-CD2 3.76Å; N770-F856 HydrophobicContact CB-CE2 3.92Å; N770-F856 HydrophobicContact CB-CG 4.09Å; N770-F856 HydrophobicContact CB-CZ 4.38Å; L771-F856 HydrophobicContact CD2-CB 4.22Å; L771-F856 HydrophobicContact CG-CB 4.24Å; T782-F856 HydrophobicContact CG2-CE1 4.3Å; T782-F856 HydrophobicContact CG2-CZ 3.82Å; F856-D859 WeakPolarHBondContact CA-OD2 3.42Å; F856-F860 WeakPolarHBondContact O-CB 3.48Å; F856-F860 PolarHBondContact O-N 3.4Å
857	H	97.3	Very high	93.9	Very high	9 Å²	9	32.7 Å²	32.7	4%	0.042	18%	0.179	C	C	.	.	H	α-helix	trans	-65.3	-55.1	-177.6	-62.1	172.5	0	0	0	111.6	F652 I846 D847 F848 E849 N855 D859 F860 I861	F652-H857 HydrophobicContact CE2-CB 3.96Å; F652-H857 AromaticContact CE2-CD2 3.68Å; F652-H857 AromaticContact CE2-CG 3.84Å; F652-H857 HydrophobicContact CZ-CB 4.17Å; F652-H857 AromaticContact CZ-CD2 3.59Å; F652-H857 AromaticContact CZ-CG 3.69Å; F652-H857 AromaticContact CZ-NE2 3.99Å; I846-H857 WeakPolarHBondContact CG2-NE2 3.38Å; D847-H857 PolarHBondContact O-CE1 3.46Å; F848-H857 HydrophobicContact CD2-CB 4Å; F848-H857 HydrophobicContact CE2-CB 4Å; E849-H857 PolarHBondContact N-CE1 2.88Å; E849-H857 PolarHBondContact N-ND1 3.08Å; E849-H857 PolarHBondContact O-ND1 3.42Å; N855-H857 PolarHBondContact ND2-CE1 3Å; N855-H857 VanDerWaalsContact ND2-CE1 3.3Å; N855-H857 PolarHBondContact ND2-ND1 2.85Å; N855-H857 PolarHBondContact O-CD2 3.03Å; N855-H857 PolarHBondContact O-N 3.37Å; N855-H857 VanDerWaalsContact OD1-CB 3.25Å; N855-H857 WeakPolarHBondContact OD1-CB 3.29Å; N855-H857 PolarHBondContact OD1-CD2 3.07Å; N855-H857 PolarHBondContact OD1-N 3.33Å; H857-D859 VanDerWaalsContact C-N 3.31Å; H857-D859 PolarHBondContact O-N 3.28Å; H857-F860 PolarHBondContact O-N 3.3Å; H857-I861 WeakPolarHBondContact O-CG1 3.48Å; H857-I861 PolarHBondContact O-N 3.27Å; H857-I861 VanDerWaalsContact O-N 3.09Å
858	M	95.9	Very high	94.2	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-69.1	-32.1	178.6	-75.4	-54.4	-44.6	0	0	111.9	F848 K850 F860 I861 V862 K883	F848-M858 HydrophobicContact CE2-SD 4.14Å; F848-M858 HydrophobicContact CZ-SD 3.88Å; K850-M858 HydrophobicContact CB-SD 4.44Å; M858-F860 VanDerWaalsContact C-N 3.34Å; M858-F860 PolarHBondContact O-N 3.01Å; M858-I861 HydrophobicContact CE-CB 4.44Å; M858-I861 HydrophobicContact CE-CG2 4.33Å; M858-I861 PolarHBondContact O-N 2.89Å; M858-I861 HydrophobicContact SD-CD1 4.43Å; M858-V862 HydrophobicContact CE-CG2 4.15Å; M858-V862 WeakPolarHBondContact O-CB 3.36Å; M858-V862 WeakPolarHBondContact O-CG2 3.37Å; M858-V862 PolarHBondContact O-N 3.28Å; M858-K883 VanDerWaalsContact CE-CA 3.43Å; M858-K883 HydrophobicContact CE-CB 3.77Å; M858-K883 HydrophobicContact CE-CG 4.38Å; M858-K883 HydrophobicContact CG-CG 4.41Å; M858-K883 HydrophobicContact SD-CB 4.24Å; M858-K883 HydrophobicContact SD-CG 4.2Å
859	D	97.1	Very high	94.4	Very high	51 Å²	51	26 Å²	26	27%	0.273	14%	0.144	S	C	.	.	H	α-helix	trans	-59.2	-46.1	174.1	-59.3	-70.7	0	0	0	111.4	A767 F856 H857 A863 R879	A767-D859 HydrophobicContact CB-CB 3.98Å; F856-D859 WeakPolarHBondContact CA-OD2 3.42Å; H857-D859 VanDerWaalsContact C-N 3.31Å; H857-D859 PolarHBondContact O-N 3.28Å; D859-A863 WeakPolarHBondContact O-CB 3.35Å; D859-A863 PolarHBondContact O-N 3.5Å; D859-A863 VanDerWaalsContact O-N 3.07Å; D859-R879 IonicContact OD1-CZ 3.42Å; D859-R879 IonicContact OD1-NH1 3.76Å; D859-R879 PolarHBondContact OD1-NH1 3.06Å; D859-R879 IonicContact OD1-NH2 3.38Å; D859-R879 IonicContact OD2-NH1 3.63Å; D859-R879 IonicContact OD2-NH2 3.41Å
860	F	98.5	Very high	94.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.8	-50.6	174.8	174.9	-95.1	0	0	0	111.6	E651 F652 L655 F656 Y764 A767 A768 L771 F856 H857 M858 V862 A863 A864	E651-F860 HydrophobicContact CB-CE1 4.39Å; E651-F860 HydrophobicContact CB-CZ 4.43Å; F652-F860 HydrophobicContact CB-CD1 3.94Å; F652-F860 HydrophobicContact CB-CE1 3.85Å; F652-F860 AromaticContact CD2-CD1 3.85Å; F652-F860 HydrophobicContact CD2-CD1 3.85Å; F652-F860 HydrophobicContact CD2-CE1 4.45Å; F652-F860 HydrophobicContact CD2-CG 4.5Å; F652-F860 HydrophobicContact CG-CD1 4.4Å; L655-F860 HydrophobicContact CD1-CZ 4.02Å; F656-F860 HydrophobicContact CE2-CD1 4.1Å; F656-F860 HydrophobicContact CE2-CD2 4.01Å; F656-F860 AromaticContact CE2-CE1 3.96Å; F656-F860 HydrophobicContact CE2-CE1 3.96Å; F656-F860 AromaticContact CE2-CE2 3.86Å; F656-F860 HydrophobicContact CE2-CE2 3.86Å; F656-F860 HydrophobicContact CE2-CG 4.12Å; F656-F860 AromaticContact CE2-CZ 3.83Å; F656-F860 HydrophobicContact CE2-CZ 3.83Å; F656-F860 HydrophobicContact CZ-CD2 4.27Å; F656-F860 HydrophobicContact CZ-CE2 4.04Å; F656-F860 HydrophobicContact CZ-CZ 4.36Å; Y764-F860 HydrophobicContact CD2-CE2 4.39Å; Y764-F860 HydrophobicContact CE2-CD2 4.25Å; Y764-F860 AromaticContact CE2-CE2 3.66Å; Y764-F860 HydrophobicContact CE2-CE2 3.66Å; Y764-F860 HydrophobicContact CE2-CZ 4.29Å; A767-F860 HydrophobicContact CB-CB 3.89Å; A768-F860 HydrophobicContact CB-CD2 3.92Å; A768-F860 HydrophobicContact CB-CE2 3.95Å; L771-F860 HydrophobicContact CD1-CB 3.61Å; L771-F860 HydrophobicContact CD1-CD2 4.36Å; L771-F860 HydrophobicContact CD1-CG 3.96Å; F856-F860 WeakPolarHBondContact O-CB 3.48Å; F856-F860 PolarHBondContact O-N 3.4Å; H857-F860 PolarHBondContact O-N 3.3Å; M858-F860 VanDerWaalsContact C-N 3.34Å; M858-F860 PolarHBondContact O-N 3.01Å; F860-V862 PolarHBondContact O-N 3.32Å; F860-A863 PolarHBondContact O-N 3.19Å; F860-A864 HydrophobicContact CE1-CB 4.21Å; F860-A864 HydrophobicContact CZ-CB 4.21Å; F860-A864 WeakPolarHBondContact O-CB 3.32Å; F860-A864 PolarHBondContact O-N 3.35Å
861	I	98.2	Very high	95.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.3	-45.1	-176.3	-70.7	178.3	0	0	0	111.5	L645 A648 R649 F652 F848 H857 M858 S865 A886	L645-I861 HydrophobicContact CD2-CG2 4.06Å; A648-I861 HydrophobicContact CB-CG2 4.16Å; R649-I861 HydrophobicContact CB-CD1 4.48Å; F652-I861 HydrophobicContact CB-CG1 4.36Å; F848-I861 HydrophobicContact CD2-CD1 4.08Å; F848-I861 HydrophobicContact CE2-CD1 3.36Å; F848-I861 HydrophobicContact CZ-CD1 3.86Å; H857-I861 WeakPolarHBondContact O-CG1 3.48Å; H857-I861 PolarHBondContact O-N 3.27Å; H857-I861 VanDerWaalsContact O-N 3.09Å; M858-I861 HydrophobicContact CE-CB 4.44Å; M858-I861 HydrophobicContact CE-CG2 4.33Å; M858-I861 PolarHBondContact O-N 2.89Å; M858-I861 HydrophobicContact SD-CD1 4.43Å; I861-S865 WeakPolarHBondContact O-CB 3.3Å; I861-S865 PolarHBondContact O-N 2.83Å; I861-A886 HydrophobicContact CD1-CB 4.2Å; I861-A886 HydrophobicContact CG2-CB 3.65Å
862	V	98	Very high	96	Very high	23 Å²	23	22.9 Å²	22.9	14%	0.139	13%	0.129	C	C	.	.	H	α-helix	trans	-61.5	-52.1	178.7	172	0	0	0	0	110.1	M858 F860 A864 S865 N866 R879	M858-V862 HydrophobicContact CE-CG2 4.15Å; M858-V862 WeakPolarHBondContact O-CB 3.36Å; M858-V862 WeakPolarHBondContact O-CG2 3.37Å; M858-V862 PolarHBondContact O-N 3.28Å; F860-V862 PolarHBondContact O-N 3.32Å; V862-A864 PolarHBondContact O-N 2.97Å; V862-S865 PolarHBondContact O-N 2.86Å; V862-N866 WeakPolarHBondContact O-CB 3.37Å; V862-N866 PolarHBondContact O-N 3.09Å; V862-R879 HydrophobicContact CG2-CB 4.25Å; V862-R879 HydrophobicContact CG2-CG 4.26Å
863	A	98.3	Very high	96.5	Very high	2 Å²	2	23.9 Å²	23.9	2%	0.017	13%	0.134	C	C	.	.	H	α-helix	trans	-63.1	-45	-178.6	0	0	0	0	0	111.4	L760 D763 Y764 D859 F860 S865 N866 L867	L760-A863 HydrophobicContact CD1-CB 4.11Å; D763-A863 HydrophobicContact CB-CB 4.25Å; Y764-A863 HydrophobicContact CD2-CB 4.45Å; D859-A863 WeakPolarHBondContact O-CB 3.35Å; D859-A863 PolarHBondContact O-N 3.5Å; D859-A863 VanDerWaalsContact O-N 3.07Å; F860-A863 PolarHBondContact O-N 3.19Å; A863-S865 PolarHBondContact O-N 2.93Å; A863-N866 PolarHBondContact O-N 2.92Å; A863-L867 WeakPolarHBondContact O-CB 3.33Å; A863-L867 WeakPolarHBondContact O-CD1 3.47Å; A863-L867 VanDerWaalsContact O-CG 3.25Å; A863-L867 WeakPolarHBondContact O-CG 3.48Å; A863-L867 PolarHBondContact O-N 3.2Å
864	A	98.6	Very high	96.8	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63.7	-42.8	-178.9	0	0	0	0	0	112.4	W647 A648 Y718 Y764 F860 V862 R868	W647-A864 HydrophobicContact CZ3-CB 4.24Å; W647-A864 WeakPolarHBondContact CZ3-O 3.34Å; A648-A864 HydrophobicContact CB-CB 3.95Å; Y718-A864 WeakPolarHBondContact CE1-O 3.43Å; Y718-A864 WeakPolarHBondContact OH-CA 3.38Å; Y718-A864 WeakPolarHBondContact OH-CB 3.39Å; Y718-A864 PolarHBondContact OH-O 2.97Å; Y718-A864 VanDerWaalsContact OH-O 3.11Å; Y764-A864 HydrophobicContact CD2-CB 4.03Å; Y764-A864 HydrophobicContact CE2-CB 3.78Å; F860-A864 HydrophobicContact CE1-CB 4.21Å; F860-A864 HydrophobicContact CZ-CB 4.21Å; F860-A864 WeakPolarHBondContact O-CB 3.32Å; F860-A864 PolarHBondContact O-N 3.35Å; V862-A864 PolarHBondContact O-N 2.97Å; A864-R868 PolarHBondContact O-N 3.28Å
865	S	98.4	Very high	97	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-66.7	-48.3	176.4	172.2	0	0	0	0	111.5	T644 L645 I861 V862 A863 L867 R868 A869	T644-S865 WeakPolarHBondContact CB-OG 3.19Å; T644-S865 PolarHBondContact OG1-OG 3.26Å; L645-S865 WeakPolarHBondContact CD2-OG 3.45Å; L645-S865 WeakPolarHBondContact CG-OG 3.49Å; L645-S865 PolarHBondContact N-OG 3.02Å; I861-S865 WeakPolarHBondContact O-CB 3.3Å; I861-S865 PolarHBondContact O-N 2.83Å; V862-S865 PolarHBondContact O-N 2.86Å; A863-S865 PolarHBondContact O-N 2.93Å; S865-L867 PolarHBondContact O-N 2.91Å; S865-R868 CarbonylContact O-C 3.59Å; S865-R868 WeakPolarHBondContact O-CB 3.27Å; S865-R868 PolarHBondContact O-N 2.9Å; S865-R868 VanDerWaalsContact O-N 3.11Å; S865-A869 WeakPolarHBondContact O-CB 3.44Å; S865-A869 PolarHBondContact O-N 3.11Å
866	N	98.4	Very high	97	Very high	17 Å²	17	24.2 Å²	24.2	9%	0.091	14%	0.135	C	C	.	.	H	α-helix	trans	-68.4	-33.8	-174.9	-74	-14.2	0	0	0	112.7	L760 V862 A863 R868 A869 E870 P876 A877	L760-N866 HydrophobicContact CD1-CB 4.03Å; L760-N866 HydrophobicContact CD2-CB 4.03Å; V862-N866 WeakPolarHBondContact O-CB 3.37Å; V862-N866 PolarHBondContact O-N 3.09Å; A863-N866 PolarHBondContact O-N 2.92Å; N866-R868 VanDerWaalsContact C-N 3.33Å; N866-A869 WeakPolarHBondContact O-CB 3.23Å; N866-A869 PolarHBondContact O-N 3.09Å; N866-E870 PolarHBondContact O-N 3.47Å; N866-P876 HydrophobicContact CB-CB 4.23Å; N866-A877 PolarHBondContact ND2-O 3.4Å; N866-A877 PolarHBondContact OD1-N 3.31Å; N866-A877 VanDerWaalsContact OD1-N 3.08Å; N866-A877 PolarHBondContact OD1-O 2.93Å
867	L	98.7	Very high	96.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.2	-42.6	169.7	-75	167	0	0	0	111.8	W714 Y718 L752 L760 H761 Y764 A863 S865 A869 E870 N871	W714-L867 HydrophobicContact CZ2-CD2 4.36Å; W714-L867 VanDerWaalsContact NE1-CD1 3.29Å; Y718-L867 HydrophobicContact CD1-CB 3.6Å; Y718-L867 HydrophobicContact CD2-CB 4.32Å; Y718-L867 HydrophobicContact CD2-CD1 4.03Å; Y718-L867 HydrophobicContact CE1-CB 3.44Å; Y718-L867 VanDerWaalsContact CE1-CB 3.44Å; Y718-L867 HydrophobicContact CE1-CD1 4.39Å; Y718-L867 HydrophobicContact CE2-CB 4.21Å; Y718-L867 HydrophobicContact CE2-CD1 3.67Å; Y718-L867 HydrophobicContact CG-CB 4.05Å; L752-L867 HydrophobicContact CD1-CD2 4.13Å; L760-L867 HydrophobicContact CD2-CD2 4.03Å; L760-L867 HydrophobicContact CD2-CG 4.13Å; L760-L867 HydrophobicContact CG-CD2 4.03Å; L760-L867 HydrophobicContact CG-CG 4.02Å; H761-L867 VanDerWaalsContact CD2-CD2 3.42Å; H761-L867 WeakPolarHBondContact CD2-CD2 3.3Å; Y764-L867 HydrophobicContact CD2-CD1 3.77Å; Y764-L867 HydrophobicContact CG-CD1 3.71Å; A863-L867 WeakPolarHBondContact O-CB 3.33Å; A863-L867 WeakPolarHBondContact O-CD1 3.47Å; A863-L867 VanDerWaalsContact O-CG 3.25Å; A863-L867 WeakPolarHBondContact O-CG 3.48Å; A863-L867 PolarHBondContact O-N 3.2Å; S865-L867 PolarHBondContact O-N 2.91Å; L867-A869 VanDerWaalsContact C-N 3.33Å; L867-E870 PolarHBondContact O-N 3.49Å; L867-N871 PolarHBondContact O-N 3.33Å; L867-N871 VanDerWaalsContact O-N 3.1Å; L867-N871 PolarHBondContact O-OD1 3.32Å
868	R	98.4	Very high	96.7	Very high	9 Å²	9	27 Å²	27	3%	0.034	15%	0.153	C	C	.	.	H	α-helix	trans	-69.9	-32.4	175.2	-166.7	173.8	179.6	91.4	-3.6	111.8	L634 K635 T644 W647 Y718 A864 S865 N866 E870 N871 Y872	L634-R868 PolarHBondContact O-NH2 3.24Å; K635-R868 PolarHBondContact O-NH2 3.39Å; T644-R868 HydrophobicContact CG2-CB 4.06Å; T644-R868 HydrophobicContact CG2-CG 3.91Å; W647-R868 VanDerWaalsContact CE2-NH1 3.35Å; W647-R868 HydrophobicContact CE3-CB 4.32Å; W647-R868 HydrophobicContact CE3-CG 4.45Å; W647-R868 HydrophobicContact CZ3-CB 4.2Å; Y718-R868 HydrophobicContact CE1-CB 4.1Å; A864-R868 PolarHBondContact O-N 3.28Å; S865-R868 CarbonylContact O-C 3.59Å; S865-R868 WeakPolarHBondContact O-CB 3.27Å; S865-R868 PolarHBondContact O-N 2.9Å; S865-R868 VanDerWaalsContact O-N 3.11Å; N866-R868 VanDerWaalsContact C-N 3.33Å; R868-E870 VanDerWaalsContact C-N 3.34Å; R868-N871 WeakPolarHBondContact O-CB 3.48Å; R868-N871 PolarHBondContact O-N 3.26Å; R868-Y872 HydrophobicContact CG-CD2 4.42Å; R868-Y872 HydrophobicContact CG-CE2 4.36Å; R868-Y872 WeakPolarHBondContact O-CD2 3.32Å
869	A	97.8	Very high	96.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.4	-44.2	174.3	0	0	0	0	0	110.1	I641 S865 N866 L867 N871 Y872 D873 I874	I641-A869 HydrophobicContact CD1-CB 3.86Å; S865-A869 WeakPolarHBondContact O-CB 3.44Å; S865-A869 PolarHBondContact O-N 3.11Å; N866-A869 WeakPolarHBondContact O-CB 3.23Å; N866-A869 PolarHBondContact O-N 3.09Å; L867-A869 VanDerWaalsContact C-N 3.33Å; A869-N871 PolarHBondContact O-N 2.9Å; A869-Y872 CarbonylContact O-C 3.19Å; A869-Y872 PolarHBondContact O-N 3.35Å; A869-Y872 VanDerWaalsContact O-N 3.09Å; A869-D873 PolarHBondContact O-N 3.35Å; A869-I874 HydrophobicContact CB-CB 3.93Å; A869-I874 HydrophobicContact CB-CG2 4.24Å; A869-I874 WeakPolarHBondContact CB-O 3.32Å; A869-I874 PolarHBondContact O-N 2.84Å
870	E	98	Very high	96.1	Very high	74 Å²	74	29.4 Å²	29.4	35%	0.346	16%	0.159	S	C	.	.	H	α-helix	trans	-59.2	-42.5	174.3	-169.9	-178.9	158.8	0	0	112.1	H750 L752 N866 L867 R868 Y872 D873	H750-E870 PolarHBondContact CE1-O 2.86Å; H750-E870 PolarHBondContact NE2-O 2.73Å; L752-E870 HydrophobicContact CD1-CB 4.22Å; L752-E870 HydrophobicContact CD1-CG 4.28Å; L752-E870 HydrophobicContact CD2-CG 3.89Å; N866-E870 PolarHBondContact O-N 3.47Å; L867-E870 PolarHBondContact O-N 3.49Å; R868-E870 VanDerWaalsContact C-N 3.34Å; E870-Y872 PolarHBondContact O-N 2.96Å; E870-D873 PolarHBondContact O-N 3.14Å
871	N	98.4	Very high	95.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-53.2	-31.8	175.3	-80	134.8	0	0	0	113.6	Y718 I722 P749 H750 L752 L867 R868 A869	Y718-N871 WeakPolarHBondContact CD1-OD1 3.48Å; Y718-N871 PolarHBondContact O-ND2 3.29Å; I722-N871 HydrophobicContact CD1-CB 4.24Å; I722-N871 HydrophobicContact CG1-CB 4.49Å; P749-N871 CarbonylContact C-O 3.6Å; P749-N871 WeakPolarHBondContact CA-O 3.2Å; P749-N871 VanDerWaalsContact CB-O 3.31Å; P749-N871 WeakPolarHBondContact CB-O 3.46Å; H750-N871 PolarHBondContact N-O 2.83Å; H750-N871 PolarHBondContact O-ND2 3.49Å; L752-N871 WeakPolarHBondContact CG-ND2 3.31Å; L867-N871 PolarHBondContact O-N 3.33Å; L867-N871 VanDerWaalsContact O-N 3.1Å; L867-N871 PolarHBondContact O-OD1 3.32Å; R868-N871 WeakPolarHBondContact O-CB 3.48Å; R868-N871 PolarHBondContact O-N 3.26Å; A869-N871 PolarHBondContact O-N 2.9Å
872	Y	96.5	Very high	95.5	Very high	3 Å²	3	33.7 Å²	33.7	1%	0.012	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	14.7	-173	-70.4	-97.2	0	0	0	112.7	N636 P638 I722 L725 R747 P749 R868 A869 E870 I874	N636-Y872 VanDerWaalsContact O-CE1 3.3Å; N636-Y872 WeakPolarHBondContact O-CE1 3.46Å; N636-Y872 PolarHBondContact O-OH 2.71Å; P638-Y872 HydrophobicContact CG-CD1 3.91Å; P638-Y872 HydrophobicContact CG-CD2 3.59Å; P638-Y872 HydrophobicContact CG-CE1 4Å; P638-Y872 HydrophobicContact CG-CE2 3.71Å; P638-Y872 HydrophobicContact CG-CG 3.7Å; I722-Y872 HydrophobicContact CD1-CE2 3.95Å; L725-Y872 WeakPolarHBondContact CD2-OH 3.39Å; R747-Y872 HydrophobicContact CB-CD1 4.41Å; R747-Y872 VanDerWaalsContact CD-O 3.27Å; R747-Y872 WeakPolarHBondContact CD-O 3.47Å; R747-Y872 PolarHBondContact NE-O 3.4Å; R747-Y872 WeakPolarHBondContact O-CD1 3.32Å; P749-Y872 HydrophobicContact CB-CD1 3.83Å; P749-Y872 HydrophobicContact CB-CD2 4.31Å; P749-Y872 HydrophobicContact CB-CE1 3.67Å; P749-Y872 HydrophobicContact CB-CE2 4.16Å; P749-Y872 HydrophobicContact CB-CG 4.16Å; P749-Y872 HydrophobicContact CG-CD1 4.43Å; P749-Y872 HydrophobicContact CG-CE1 3.91Å; R868-Y872 HydrophobicContact CG-CD2 4.42Å; R868-Y872 HydrophobicContact CG-CE2 4.36Å; R868-Y872 WeakPolarHBondContact O-CD2 3.32Å; A869-Y872 CarbonylContact O-C 3.19Å; A869-Y872 PolarHBondContact O-N 3.35Å; A869-Y872 VanDerWaalsContact O-N 3.09Å; E870-Y872 PolarHBondContact O-N 2.96Å; Y872-I874 PolarHBondContact O-N 3.49Å
873	D	93.8	Very high	95.3	Very high	94 Å²	94	33.6 Å²	33.6	50%	0.503	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	32.7	-176.6	-57	-43.4	0	0	0	113.8	R747 H750 A869 E870	R747-D873 PolarHBondContact NH1-O 3.4Å; R747-D873 PolarHBondContact NH2-O 3.22Å; H750-D873 IonicContact CD2-OD1 3.23Å; H750-D873 IonicContact CD2-OD2 2.85Å; H750-D873 IonicContact NE2-OD1 2.65Å; H750-D873 PolarHBondContact NE2-OD1 2.68Å; H750-D873 IonicContact NE2-OD2 2.94Å; A869-D873 PolarHBondContact O-N 3.35Å; E870-D873 PolarHBondContact O-N 3.14Å
874	I	93.3	Very high	94.9	Very high	8 Å²	8	35.6 Å²	35.6	4%	0.041	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-86.2	133.4	176.6	-61.3	168.7	0	0	0	108.5	P638 I641 T644 A869 Y872	P638-I874 HydrophobicContact CB-CD1 3.93Å; P638-I874 HydrophobicContact CG-CD1 4.28Å; I641-I874 HydrophobicContact CB-CG2 4.27Å; T644-I874 HydrophobicContact CG2-CD1 4.06Å; A869-I874 HydrophobicContact CB-CB 3.93Å; A869-I874 HydrophobicContact CB-CG2 4.24Å; A869-I874 WeakPolarHBondContact CB-O 3.32Å; A869-I874 PolarHBondContact O-N 2.84Å; Y872-I874 PolarHBondContact O-N 3.49Å
875	P	91.4	Very high	94.5	Very high	82 Å²	82	37.5 Å²	37.5	53%	0.532	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-57.2	129.5	175.1	-25.7	34.5	0	0	0	111.7
876	P	95.5	Very high	94.1	Very high	96 Å²	96	37.8 Å²	37.8	62%	0.623	20%	0.198	S	C	*	.	P	Polyproline II helix	trans	-68.1	159.7	-177.9	29.2	-35.5	0	0	0	111.7	N866	N866-P876 HydrophobicContact CB-CB 4.23Å
877	A	93.8	Very high	93.6	Very high	7 Å²	7	37.6 Å²	37.6	6%	0.058	20%	0.2	C	C	.	.			trans	-107.9	147.4	169.4	0	0	0	0	0	111.2	I641 N866 K881	I641-A877 HydrophobicContact CD1-CB 4.17Å; I641-A877 HydrophobicContact CG1-CB 3.58Å; N866-A877 PolarHBondContact ND2-O 3.4Å; N866-A877 PolarHBondContact OD1-N 3.31Å; N866-A877 VanDerWaalsContact OD1-N 3.08Å; N866-A877 PolarHBondContact OD1-O 2.93Å; A877-K881 HydrophobicContact CB-CB 4.13Å; A877-K881 HydrophobicContact CB-CD 4.03Å; A877-K881 HydrophobicContact CB-CG 4.11Å
878	D	92.6	Very high	93.1	Very high	101 Å²	101	43.5 Å²	43.5	54%	0.54	23%	0.226	S	C	.	.			trans	-71.4	174	168.2	63.9	21.3	0	0	0	111.8	H880 K881 S882	D878-H880 VanDerWaalsContact C-N 3.29Å; D878-H880 PolarHBondContact O-N 2.98Å; D878-H880 PolarHBondContact OD1-N 2.86Å; D878-K881 VanDerWaalsContact OD1-CB 3.3Å; D878-K881 WeakPolarHBondContact OD1-CB 3.32Å; D878-K881 PolarHBondContact OD1-N 3Å; D878-S882 WeakPolarHBondContact O-CB 3.48Å; D878-S882 PolarHBondContact O-N 2.79Å; D878-S882 PolarHBondContact O-OG 2.85Å
879	R	91.9	Very high	92.7	Very high	75 Å²	75	43.5 Å²	43.5	28%	0.283	23%	0.226	S	C	.	.	H	α-helix	trans	-59.1	-40.5	177.6	-172.3	-172.2	-168.6	105.3	-0.8	111.7	D853 D859 V862 S882 K883	D853-R879 IonicContact OD1-CZ 3.81Å; D853-R879 VanDerWaalsContact OD1-CZ 3.28Å; D853-R879 IonicContact OD1-NE 3.51Å; D853-R879 PolarHBondContact OD1-NE 2.92Å; D853-R879 IonicContact OD1-NH2 2.68Å; D853-R879 PolarHBondContact OD1-NH2 3.23Å; D859-R879 IonicContact OD1-CZ 3.42Å; D859-R879 IonicContact OD1-NH1 3.76Å; D859-R879 PolarHBondContact OD1-NH1 3.06Å; D859-R879 IonicContact OD1-NH2 3.38Å; D859-R879 IonicContact OD2-NH1 3.63Å; D859-R879 IonicContact OD2-NH2 3.41Å; V862-R879 HydrophobicContact CG2-CB 4.25Å; V862-R879 HydrophobicContact CG2-CG 4.26Å; R879-S882 PolarHBondContact O-N 3.11Å; R879-K883 WeakPolarHBondContact O-CB 3.44Å; R879-K883 PolarHBondContact O-N 3.07Å
880	H	89.3	Confident	92.4	Very high	26 Å²	26	47.1 Å²	47.1	12%	0.12	25%	0.245	C	C	.	.	H	α-helix	trans	-64.2	-49.5	-175.8	-179.6	-91.4	0	0	0	111.9	E52 Y60 H64 D878 K883 L884	E52-H880 IonicContact OE1-CD2 2.73Å; E52-H880 IonicContact OE2-CD2 3.39Å; Y60-H880 AromaticContact CD1-CE1 3.41Å; Y60-H880 VanDerWaalsContact CD1-CE1 3.41Å; Y60-H880 WeakPolarHBondContact CD1-CE1 2.77Å; Y60-H880 AromaticContact CD1-NE2 3.97Å; Y60-H880 AromaticContact CE1-CE1 3.03Å; Y60-H880 WeakPolarHBondContact CE1-CE1 3.28Å; Y60-H880 AromaticContact CE1-ND1 3.43Å; Y60-H880 WeakPolarHBondContact CE1-ND1 3.31Å; Y60-H880 AromaticContact CE1-NE2 3.46Å; Y60-H880 WeakPolarHBondContact CE1-NE2 3.46Å; Y60-H880 WeakPolarHBondContact CE1-O 3.4Å; Y60-H880 AromaticContact CZ-CE1 3.8Å; Y60-H880 AromaticContact CZ-NE2 3.74Å; Y60-H880 PolarHBondContact OH-O 3.48Å; H64-H880 AromaticContact CE1-CD2 3.87Å; H64-H880 AromaticContact CE1-CE1 3.7Å; H64-H880 AromaticContact CE1-ND1 3.9Å; H64-H880 AromaticContact CE1-NE2 3.71Å; D878-H880 VanDerWaalsContact C-N 3.29Å; D878-H880 PolarHBondContact O-N 2.98Å; D878-H880 PolarHBondContact OD1-N 2.86Å; H880-K883 PolarHBondContact O-N 2.74Å; H880-L884 PolarHBondContact O-N 2.97Å
881	K	90.3	Very high	92.2	Very high	90 Å²	90	44.9 Å²	44.9	39%	0.391	24%	0.237	S	C	.	.	H	α-helix	trans	-66.8	-39.1	174.4	-178.6	174.6	179.5	-178	0	111.6	A877 D878 K883 L884 I885	A877-K881 HydrophobicContact CB-CB 4.13Å; A877-K881 HydrophobicContact CB-CD 4.03Å; A877-K881 HydrophobicContact CB-CG 4.11Å; D878-K881 VanDerWaalsContact OD1-CB 3.3Å; D878-K881 WeakPolarHBondContact OD1-CB 3.32Å; D878-K881 PolarHBondContact OD1-N 3Å; K881-K883 VanDerWaalsContact C-N 3.35Å; K881-K883 PolarHBondContact O-N 2.85Å; K881-L884 WeakPolarHBondContact O-CB 3.32Å; K881-L884 PolarHBondContact O-N 3.18Å; K881-I885 HydrophobicContact CG-CD1 3.97Å; K881-I885 PolarHBondContact O-N 2.82Å
882	S	93.8	Very high	92.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.4	-42.7	177.3	-61.1	0	0	0	0	112.1	D878 R879 L884 I885 A886	D878-S882 WeakPolarHBondContact O-CB 3.48Å; D878-S882 PolarHBondContact O-N 2.79Å; D878-S882 PolarHBondContact O-OG 2.85Å; R879-S882 PolarHBondContact O-N 3.11Å; S882-L884 VanDerWaalsContact C-N 3.33Å; S882-L884 PolarHBondContact O-N 3.43Å; S882-I885 PolarHBondContact O-N 2.91Å; S882-A886 VanDerWaalsContact O-CB 3.29Å; S882-A886 WeakPolarHBondContact O-CB 3.41Å; S882-A886 PolarHBondContact O-N 2.83Å
883	K	92.9	Very high	92.1	Very high	21 Å²	21	45.2 Å²	45.2	9%	0.091	24%	0.239	C	C	.	.	H	α-helix	trans	-65	-35.4	177.8	-173.4	173.8	166.4	164.7	0	112.2	K850 D851 M858 R879 H880 K881 G887 I889	K850-K883 WeakPolarHBondContact O-CE 3.35Å; K850-K883 PolarHBondContact O-NZ 2.9Å; D851-K883 WeakPolarHBondContact OD1-CE 3.45Å; D851-K883 IonicContact OD1-NZ 2.7Å; D851-K883 PolarHBondContact OD1-NZ 3.37Å; M858-K883 VanDerWaalsContact CE-CA 3.43Å; M858-K883 HydrophobicContact CE-CB 3.77Å; M858-K883 HydrophobicContact CE-CG 4.38Å; M858-K883 HydrophobicContact CG-CG 4.41Å; M858-K883 HydrophobicContact SD-CB 4.24Å; M858-K883 HydrophobicContact SD-CG 4.2Å; R879-K883 WeakPolarHBondContact O-CB 3.44Å; R879-K883 PolarHBondContact O-N 3.07Å; H880-K883 PolarHBondContact O-N 2.74Å; K881-K883 VanDerWaalsContact C-N 3.35Å; K881-K883 PolarHBondContact O-N 2.85Å; K883-G887 VanDerWaalsContact O-CA 3.27Å; K883-G887 WeakPolarHBondContact O-CA 3.41Å; K883-G887 PolarHBondContact O-N 2.93Å; K883-I889 HydrophobicContact CD-CD1 4.36Å; K883-I889 HydrophobicContact CG-CD1 3.75Å
884	L	90.6	Very high	92.3	Very high	45 Å²	45	40.8 Å²	40.8	24%	0.236	22%	0.216	C	C	.	.	H	α-helix	trans	-56.8	-54.9	173.5	179.1	57.2	0	0	0	111.4	Y60 H880 K881 S882 K888 I889 P891	Y60-L884 HydrophobicContact CD1-CB 4.06Å; Y60-L884 HydrophobicContact CD1-CD1 3.81Å; Y60-L884 HydrophobicContact CD1-CD2 3.7Å; Y60-L884 HydrophobicContact CD1-CG 4.06Å; Y60-L884 HydrophobicContact CD2-CD1 3.87Å; Y60-L884 HydrophobicContact CE1-CB 3.49Å; Y60-L884 VanDerWaalsContact CE1-CB 3.49Å; Y60-L884 HydrophobicContact CE1-CD1 4.02Å; Y60-L884 HydrophobicContact CE1-CD2 3.97Å; Y60-L884 HydrophobicContact CE1-CG 4.02Å; Y60-L884 HydrophobicContact CE2-CB 4.42Å; Y60-L884 HydrophobicContact CE2-CD1 4.09Å; Y60-L884 HydrophobicContact CG-CD1 3.73Å; Y60-L884 HydrophobicContact CG-CD2 4.35Å; Y60-L884 HydrophobicContact CG-CG 4.48Å; Y60-L884 PolarHBondContact OH-N 2.86Å; H880-L884 PolarHBondContact O-N 2.97Å; K881-L884 WeakPolarHBondContact O-CB 3.32Å; K881-L884 PolarHBondContact O-N 3.18Å; S882-L884 VanDerWaalsContact C-N 3.33Å; S882-L884 PolarHBondContact O-N 3.43Å; L884-K888 PolarHBondContact O-N 2.89Å; L884-I889 HydrophobicContact CD1-CB 3.96Å; L884-I889 HydrophobicContact CD1-CG2 4.03Å; L884-I889 VanDerWaalsContact CD1-O 3.28Å; L884-I889 WeakPolarHBondContact CD1-O 3.21Å; L884-I889 PolarHBondContact O-N 3.39Å; L884-P891 HydrophobicContact CD1-CG 4.5Å
885	I	90.3	Very high	92.6	Very high	39 Å²	39	40.4 Å²	40.4	20%	0.2	21%	0.214	C	C	.	.	H	α-helix	trans	-76.4	-55.4	-170	-63.2	161.9	0	0	0	110	E642 L645 K881 S882 G887 K888	E642-I885 HydrophobicContact CB-CG2 4.5Å; E642-I885 HydrophobicContact CG-CD1 4.01Å; E642-I885 HydrophobicContact CG-CG2 4.46Å; L645-I885 HydrophobicContact CB-CG2 4.01Å; L645-I885 HydrophobicContact CD1-CB 3.91Å; L645-I885 HydrophobicContact CD1-CD1 3.53Å; L645-I885 HydrophobicContact CD1-CG1 4.31Å; L645-I885 HydrophobicContact CD1-CG2 4.07Å; K881-I885 HydrophobicContact CG-CD1 3.97Å; K881-I885 PolarHBondContact O-N 2.82Å; S882-I885 PolarHBondContact O-N 2.91Å; I885-G887 VanDerWaalsContact C-N 3.31Å; I885-G887 PolarHBondContact O-N 3.47Å; I885-K888 PolarHBondContact O-N 3.12Å; I885-K888 VanDerWaalsContact O-N 3.14Å
886	A	90.7	Very high	93	Very high	6 Å²	6	36.5 Å²	36.5	5%	0.05	19%	0.189	C	C	.	.	H	α-helix	trans	-69.3	-31.2	-176.9	0	0	0	0	0	112.7	I861 S882 K888	I861-A886 HydrophobicContact CD1-CB 4.2Å; I861-A886 HydrophobicContact CG2-CB 3.65Å; S882-A886 VanDerWaalsContact O-CB 3.29Å; S882-A886 WeakPolarHBondContact O-CB 3.41Å; S882-A886 PolarHBondContact O-N 2.83Å; A886-K888 VanDerWaalsContact C-N 3.27Å
887	G	88.2	Confident	93.1	Very high	13 Å²	13	31.9 Å²	31.9	13%	0.134	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-2.8	175.3	0	0	0	0	0	114.4	K883 I885 I889	K883-G887 VanDerWaalsContact O-CA 3.27Å; K883-G887 WeakPolarHBondContact O-CA 3.41Å; K883-G887 PolarHBondContact O-N 2.93Å; I885-G887 VanDerWaalsContact C-N 3.31Å; I885-G887 PolarHBondContact O-N 3.47Å; G887-I889 PolarHBondContact O-N 2.72Å; G887-I889 VanDerWaalsContact O-N 3.15Å
888	K	88.4	Confident	93.4	Very high	125 Å²	125	31.6 Å²	31.6	54%	0.543	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.2	45.2	-170.8	-65.2	-167.2	169.7	-157.3	0	111.9	E626 L884 I885 A886 I890	E626-K888 IonicContact OE2-NZ 2.76Å; E626-K888 PolarHBondContact OE2-NZ 3.09Å; L884-K888 PolarHBondContact O-N 2.89Å; I885-K888 PolarHBondContact O-N 3.12Å; I885-K888 VanDerWaalsContact O-N 3.14Å; A886-K888 VanDerWaalsContact C-N 3.27Å; K888-I890 PolarHBondContact O-N 2.89Å
889	I	88.9	Confident	93.7	Very high	8 Å²	8	26.8 Å²	26.8	4%	0.041	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-70.3	123	-175.4	-71	-174.7	0	0	0	109.1	R57 Y60 K850 K883 L884 G887 P891	R57-I889 VanDerWaalsContact NH1-CG1 3.34Å; Y60-I889 HydrophobicContact CD2-CG2 3.56Å; Y60-I889 HydrophobicContact CE2-CB 4.25Å; Y60-I889 HydrophobicContact CE2-CD1 4Å; Y60-I889 HydrophobicContact CE2-CG2 3.51Å; K850-I889 HydrophobicContact CD-CG1 4.25Å; K883-I889 HydrophobicContact CD-CD1 4.36Å; K883-I889 HydrophobicContact CG-CD1 3.75Å; L884-I889 HydrophobicContact CD1-CB 3.96Å; L884-I889 HydrophobicContact CD1-CG2 4.03Å; L884-I889 VanDerWaalsContact CD1-O 3.28Å; L884-I889 WeakPolarHBondContact CD1-O 3.21Å; L884-I889 PolarHBondContact O-N 3.39Å; G887-I889 PolarHBondContact O-N 2.72Å; G887-I889 VanDerWaalsContact O-N 3.15Å; I889-P891 VanDerWaalsContact O-CD 3.3Å; I889-P891 WeakPolarHBondContact O-CD 3.37Å
890	I	90.6	Very high	94	Very high	77 Å²	77	23.2 Å²	23.2	40%	0.395	12%	0.117	S	C	.	.	P	Polyproline II helix	trans	-80.1	117.9	169.9	-58.1	175.8	0	0	0	108.5	L601 K888	L601-I890 HydrophobicContact CD1-CG2 3.77Å; K888-I890 PolarHBondContact O-N 2.89Å
891	P	94.2	Very high	94.4	Very high	27 Å²	27	22 Å²	22	18%	0.175	11%	0.111	C	C	.	.	P	Polyproline II helix	trans	-59.4	138	171.2	-23	34.4	0	0	0	110.7	V61 G602 L884 I889	V61-P891 HydrophobicContact CG2-CB 3.69Å; G602-P891 PolarHBondContact N-O 3.16Å; L884-P891 HydrophobicContact CD1-CG 4.5Å; I889-P891 VanDerWaalsContact O-CD 3.3Å; I889-P891 WeakPolarHBondContact O-CD 3.37Å
892	A	96	Very high	94.8	Very high	8 Å²	8	17.7 Å²	17.7	7%	0.066	9%	0.093	C	C	.	.	B	Isolated β-bridge	trans	-155.8	147.5	-177.1	0	0	0	0	0	111.2	R57 Q58	R57-A892 CarbonylContact C-O 3.52Å; R57-A892 HydrophobicContact CB-CB 4.43Å; R57-A892 PolarHBondContact O-N 3.4Å; Q58-A892 PolarHBondContact N-O 3.01Å
893	I	97.9	Very high	95.1	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	9%	0.094	C	C	.	.			trans	-143.2	147.6	179.4	-167.5	168.9	0	0	0	110.3	Q58 V61 L62 M410 T895 T897	Q58-I893 HydrophobicContact CG-CD1 3.94Å; Q58-I893 HydrophobicContact CG-CG1 4.13Å; V61-I893 HydrophobicContact CG1-CG2 4.38Å; L62-I893 HydrophobicContact CD1-CD1 4.18Å; L62-I893 HydrophobicContact CD2-CD1 4.43Å; L62-I893 HydrophobicContact CG-CD1 4.31Å; M410-I893 HydrophobicContact CE-CD1 4.22Å; M410-I893 HydrophobicContact SD-CD1 3.61Å; I893-T895 VanDerWaalsContact C-N 3.28Å; I893-T895 VanDerWaalsContact CG2-OG1 3.31Å; I893-T895 WeakPolarHBondContact CG2-OG1 3.47Å; I893-T895 PolarHBondContact O-N 2.88Å; I893-T897 PolarHBondContact O-N 3.31Å; I893-T897 PolarHBondContact O-OG1 2.95Å
894	A	98.5	Very high	95.4	Very high	1 Å²	1	17 Å²	17	1%	0.008	9%	0.09	C	C	.	.	H	α-helix	trans	-62.1	-32.2	-174.1	0	0	0	0	0	113.8	N90 L93 R515 T897 A898	N90-A894 WeakPolarHBondContact OD1-CB 3.42Å; N90-A894 PolarHBondContact OD1-O 2.7Å; L93-A894 HydrophobicContact CD1-CB 4.1Å; R515-A894 HydrophobicContact CB-CB 4.17Å; A894-T897 PolarHBondContact O-N 3.47Å; A894-A898 WeakPolarHBondContact O-CB 3.21Å; A894-A898 PolarHBondContact O-N 2.88Å
895	T	98.8	Very high	95.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-60	-53.3	-178.9	46.5	0	0	0	0	112.3	N90 G403 A406 Q407 M410 I893 T897 A898 A899	N90-T895 HydrophobicContact CB-CG2 4.12Å; G403-T895 WeakPolarHBondContact O-CB 3.27Å; A406-T895 HydrophobicContact CB-CG2 3.91Å; Q407-T895 HydrophobicContact CB-CG2 4.14Å; Q407-T895 PolarHBondContact OE1-OG1 3.13Å; M410-T895 HydrophobicContact CE-CG2 3.56Å; M410-T895 HydrophobicContact SD-CG2 4.08Å; I893-T895 VanDerWaalsContact C-N 3.28Å; I893-T895 VanDerWaalsContact CG2-OG1 3.31Å; I893-T895 WeakPolarHBondContact CG2-OG1 3.47Å; I893-T895 PolarHBondContact O-N 2.88Å; T895-T897 PolarHBondContact O-N 3.47Å; T895-A898 PolarHBondContact O-N 3.31Å; T895-A899 WeakPolarHBondContact O-CB 3.49Å; T895-A899 PolarHBondContact O-N 3.12Å
896	T	98.8	Very high	96.2	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-65.4	-39.2	178	-56.2	0	0	0	0	111.4	T600 G602 T603 K604 A899 V900	T600-T896 HydrophobicContact CG2-CG2 4.14Å; G602-T896 WeakPolarHBondContact O-CB 3.35Å; G602-T896 PolarHBondContact O-OG1 3Å; T603-T896 WeakPolarHBondContact CA-OG1 3.43Å; K604-T896 WeakPolarHBondContact O-CG2 3.43Å; T896-A899 PolarHBondContact O-N 3.4Å; T896-V900 HydrophobicContact CG2-CG2 4.37Å; T896-V900 WeakPolarHBondContact O-CB 3.45Å; T896-V900 WeakPolarHBondContact O-CG2 3.45Å; T896-V900 PolarHBondContact O-N 3.28Å
897	T	98.8	Very high	96.6	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60	-49	175.7	-55.9	0	0	0	0	111.9	A479 I480 E483 I893 A894 T895 A899 V900 V901	A479-T897 VanDerWaalsContact C-CG2 3.4Å; A479-T897 HydrophobicContact CB-CG2 3.83Å; A479-T897 WeakPolarHBondContact O-CG2 3.44Å; I480-T897 HydrophobicContact CG1-CG2 4Å; E483-T897 HydrophobicContact CB-CG2 4.42Å; E483-T897 HydrophobicContact CG-CG2 3.87Å; I893-T897 PolarHBondContact O-N 3.31Å; I893-T897 PolarHBondContact O-OG1 2.95Å; A894-T897 PolarHBondContact O-N 3.47Å; T895-T897 PolarHBondContact O-N 3.47Å; T897-A899 VanDerWaalsContact C-N 3.32Å; T897-A899 PolarHBondContact O-N 3.36Å; T897-V900 PolarHBondContact O-N 2.7Å; T897-V901 WeakPolarHBondContact O-CG2 3.4Å; T897-V901 PolarHBondContact O-N 2.8Å
898	A	98.8	Very high	97.1	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-61.3	-42.2	177.5	0	0	0	0	0	111.6	E86 A399 A894 T895 V901 G902	E86-A898 WeakPolarHBondContact OE1-CB 3.38Å; A399-A898 CarbonylContact O-C 3.57Å; A894-A898 WeakPolarHBondContact O-CB 3.21Å; A894-A898 PolarHBondContact O-N 2.88Å; T895-A898 PolarHBondContact O-N 3.31Å; A898-V901 PolarHBondContact O-N 2.96Å; A898-G902 PolarHBondContact O-N 2.97Å
899	A	98.8	Very high	97.5	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-61.9	-47.3	178.2	0	0	0	0	0	112.4	F400 V404 T895 T896 T897 G902 L903 M926	F400-A899 HydrophobicContact CD2-CB 4.25Å; V404-A899 HydrophobicContact CG2-CB 4.42Å; T895-A899 WeakPolarHBondContact O-CB 3.49Å; T895-A899 PolarHBondContact O-N 3.12Å; T896-A899 PolarHBondContact O-N 3.4Å; T897-A899 VanDerWaalsContact C-N 3.32Å; T897-A899 PolarHBondContact O-N 3.36Å; A899-G902 PolarHBondContact O-N 3.37Å; A899-L903 PolarHBondContact O-N 3.11Å; A899-M926 HydrophobicContact CB-CE 3.76Å; A899-M926 HydrophobicContact CB-SD 4Å
900	V	98.8	Very high	98	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-60.7	-49	179.3	166.6	0	0	0	0	109.8	T600 I607 T896 T897 G902 L903 V904 M926	T600-V900 HydrophobicContact CG2-CB 4.33Å; T600-V900 HydrophobicContact CG2-CG2 3.83Å; I607-V900 HydrophobicContact CG2-CG1 3.72Å; T896-V900 HydrophobicContact CG2-CG2 4.37Å; T896-V900 WeakPolarHBondContact O-CB 3.45Å; T896-V900 WeakPolarHBondContact O-CG2 3.45Å; T896-V900 PolarHBondContact O-N 3.28Å; T897-V900 PolarHBondContact O-N 2.7Å; V900-G902 VanDerWaalsContact C-N 3.31Å; V900-G902 PolarHBondContact O-N 3.07Å; V900-L903 WeakPolarHBondContact O-CB 3.33Å; V900-L903 PolarHBondContact O-N 3.29Å; V900-L903 VanDerWaalsContact O-N 3.08Å; V900-V904 HydrophobicContact CG1-CG2 4.3Å; V900-V904 WeakPolarHBondContact O-CG2 3.25Å; V900-V904 PolarHBondContact O-N 3.5Å; V900-M926 HydrophobicContact CB-CE 3.95Å; V900-M926 HydrophobicContact CG2-CE 3.19Å; V900-M926 VanDerWaalsContact N-CE 3.33Å
901	V	98.9	Very high	98.3	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-66.8	-34.2	-176.7	171.7	0	0	0	0	112.3	I480 E483 L484 T897 A898 L903 V904 C905	I480-V901 HydrophobicContact CB-CG2 4.36Å; I480-V901 HydrophobicContact CG2-CG2 3.79Å; E483-V901 HydrophobicContact CB-CB 3.8Å; E483-V901 HydrophobicContact CB-CG1 3.82Å; E483-V901 HydrophobicContact CB-CG2 3.71Å; L484-V901 HydrophobicContact CB-CG1 4.46Å; L484-V901 HydrophobicContact CD2-CG1 3.78Å; L484-V901 HydrophobicContact CG-CG1 3.89Å; L484-V901 HydrophobicContact CG-CG2 4.15Å; T897-V901 WeakPolarHBondContact O-CG2 3.4Å; T897-V901 PolarHBondContact O-N 2.8Å; A898-V901 PolarHBondContact O-N 2.96Å; V901-L903 VanDerWaalsContact C-N 3.28Å; V901-L903 PolarHBondContact O-N 3.07Å; V901-V904 PolarHBondContact O-N 3.11Å; V901-C905 PolarHBondContact O-N 3.14Å; V901-C905 PolarHBondContact O-SG 3.44Å
902	G	98.8	Very high	98.5	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-52.7	-48.6	169.4	0	0	0	0	0	111.6	P396 A898 A899 V900 C905 L906	P396-G902 WeakPolarHBondContact CB-O 3.37Å; P396-G902 VanDerWaalsContact O-CA 3.24Å; P396-G902 WeakPolarHBondContact O-CA 3.42Å; A898-G902 PolarHBondContact O-N 2.97Å; A899-G902 PolarHBondContact O-N 3.37Å; V900-G902 VanDerWaalsContact C-N 3.31Å; V900-G902 PolarHBondContact O-N 3.07Å; G902-C905 PolarHBondContact O-N 3.36Å; G902-L906 WeakPolarHBondContact O-CG 3.42Å; G902-L906 PolarHBondContact O-N 3.06Å
903	L	98.9	Very high	98.5	Very high	5 Å²	5	5.7 Å²	5.7	3%	0.026	3%	0.028	C	C	.	.	H	α-helix	trans	-67	-40.1	177.7	-59.3	174.8	0	0	0	112.8	F400 F426 I607 A899 V900 V901 C905 L906 E907 M926 F935	F400-L903 HydrophobicContact CD1-CD2 4.36Å; F400-L903 HydrophobicContact CD2-CD1 4.08Å; F400-L903 HydrophobicContact CD2-CD2 3.69Å; F400-L903 HydrophobicContact CD2-CG 3.7Å; F400-L903 HydrophobicContact CE2-CD1 3.95Å; F400-L903 HydrophobicContact CE2-CD2 3.93Å; F400-L903 HydrophobicContact CE2-CG 4.05Å; F400-L903 HydrophobicContact CG-CD2 3.92Å; F400-L903 HydrophobicContact CG-CG 4.32Å; F400-L903 HydrophobicContact CZ-CD2 4.37Å; F426-L903 HydrophobicContact CE2-CD2 4.28Å; F426-L903 HydrophobicContact CZ-CD2 3.87Å; I607-L903 HydrophobicContact CD1-CB 3.66Å; I607-L903 HydrophobicContact CG1-CB 4.43Å; I607-L903 HydrophobicContact CG2-CB 4.22Å; A899-L903 PolarHBondContact O-N 3.11Å; V900-L903 WeakPolarHBondContact O-CB 3.33Å; V900-L903 PolarHBondContact O-N 3.29Å; V900-L903 VanDerWaalsContact O-N 3.08Å; V901-L903 VanDerWaalsContact C-N 3.28Å; V901-L903 PolarHBondContact O-N 3.07Å; L903-C905 VanDerWaalsContact C-N 3.31Å; L903-C905 PolarHBondContact O-N 2.86Å; L903-L906 HydrophobicContact CD2-CD1 4.1Å; L903-L906 WeakPolarHBondContact O-CB 3.47Å; L903-L906 PolarHBondContact O-N 3.49Å; L903-L906 VanDerWaalsContact O-N 3.14Å; L903-E907 PolarHBondContact O-N 3.16Å; L903-M926 HydrophobicContact CD1-CE 4.17Å; L903-F935 HydrophobicContact CD1-CE1 3.88Å; L903-F935 HydrophobicContact CD1-CZ 3.96Å; L903-F935 HydrophobicContact CD2-CE1 3.94Å; L903-F935 HydrophobicContact CD2-CZ 3.88Å; L903-F935 HydrophobicContact CG-CE1 4.46Å
904	V	98.9	Very high	98.4	Very high	3 Å²	3	7.4 Å²	7.4	2%	0.018	5%	0.046	C	C	.	.	H	α-helix	trans	-56.9	-45	175.2	174	0	0	0	0	111.5	L484 L596 I607 V900 V901 L906 E907 L908	L484-V904 HydrophobicContact CD2-CB 4.49Å; L484-V904 HydrophobicContact CD2-CG1 3.91Å; L596-V904 HydrophobicContact CB-CG1 3.89Å; L596-V904 HydrophobicContact CD1-CG1 4Å; L596-V904 HydrophobicContact CD2-CG1 4.21Å; L596-V904 HydrophobicContact CG-CG1 4.26Å; I607-V904 HydrophobicContact CB-CG2 4.21Å; I607-V904 HydrophobicContact CG2-CG2 3.49Å; I607-V904 VanDerWaalsContact CG2-CG2 3.49Å; V900-V904 HydrophobicContact CG1-CG2 4.3Å; V900-V904 WeakPolarHBondContact O-CG2 3.25Å; V900-V904 PolarHBondContact O-N 3.5Å; V901-V904 PolarHBondContact O-N 3.11Å; V904-L906 VanDerWaalsContact C-N 3.27Å; V904-L906 PolarHBondContact O-N 2.96Å; V904-E907 PolarHBondContact O-N 3.32Å; V904-L908 PolarHBondContact O-N 3.38Å; V904-L908 VanDerWaalsContact O-N 3.07Å
905	C	98.9	Very high	98.3	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-73.2	-17	-178.7	-68.5	0	0	0	0	113.6	P396 N487 I491 V901 G902 L903 L908 F909	P396-C905 HydrophobicContact CB-CB 3.8Å; P396-C905 HydrophobicContact CG-CB 3.52Å; N487-C905 HydrophobicContact CB-CB 4.47Å; N487-C905 VanDerWaalsContact CB-SG 3.53Å; I491-C905 HydrophobicContact CD1-CB 4.02Å; V901-C905 PolarHBondContact O-N 3.14Å; V901-C905 PolarHBondContact O-SG 3.44Å; G902-C905 PolarHBondContact O-N 3.36Å; L903-C905 VanDerWaalsContact C-N 3.31Å; L903-C905 PolarHBondContact O-N 2.86Å; C905-L908 WeakPolarHBondContact O-CB 3.31Å; C905-F909 WeakPolarHBondContact O-CD2 3.3Å
906	L	98.9	Very high	98.1	Very high	3 Å²	3	13.8 Å²	13.8	2%	0.016	7%	0.074	C	C	.	.	H	α-helix	trans	-70.9	-43.5	168.6	-66.7	170.4	0	0	0	110.8	L194 P396 I397 F426 A428 C431 G902 L903 V904 L908 F909	L194-L906 HydrophobicContact CD2-CD2 4.27Å; P396-L906 HydrophobicContact CB-CD2 3.87Å; P396-L906 HydrophobicContact CB-CG 4.01Å; I397-L906 HydrophobicContact CD1-CD1 3.91Å; I397-L906 HydrophobicContact CD1-CD2 3.74Å; I397-L906 HydrophobicContact CD1-CG 4.44Å; I397-L906 HydrophobicContact CG1-CD2 4.06Å; F426-L906 HydrophobicContact CE1-CD1 3.95Å; F426-L906 HydrophobicContact CZ-CD1 3.96Å; A428-L906 HydrophobicContact CB-CD1 3.75Å; A428-L906 HydrophobicContact CB-CD2 4.06Å; A428-L906 HydrophobicContact CB-CG 4.38Å; C431-L906 PolarHBondContact SG-O 3.11Å; G902-L906 WeakPolarHBondContact O-CG 3.42Å; G902-L906 PolarHBondContact O-N 3.06Å; L903-L906 HydrophobicContact CD2-CD1 4.1Å; L903-L906 WeakPolarHBondContact O-CB 3.47Å; L903-L906 PolarHBondContact O-N 3.49Å; L903-L906 VanDerWaalsContact O-N 3.14Å; V904-L906 VanDerWaalsContact C-N 3.27Å; V904-L906 PolarHBondContact O-N 2.96Å; L906-L908 VanDerWaalsContact C-N 3.27Å; L906-L908 PolarHBondContact O-N 3.16Å; L906-F909 PolarHBondContact O-N 2.65Å
907	E	98.8	Very high	97.9	Very high	9 Å²	9	19 Å²	19	4%	0.042	10%	0.097	C	C	.	.	H	α-helix	trans	-65.4	-31.3	174.5	-58.2	-52.9	125	0	0	112	L596 I607 V609 L903 V904 F909 K910 I911 F921 K922	L596-E907 HydrophobicContact CD2-CB 3.87Å; I607-E907 HydrophobicContact CD1-CG 4.05Å; V609-E907 HydrophobicContact CG2-CB 4.5Å; L903-E907 PolarHBondContact O-N 3.16Å; V904-E907 PolarHBondContact O-N 3.32Å; E907-F909 VanDerWaalsContact C-N 3.3Å; E907-F909 PolarHBondContact O-N 3.23Å; E907-K910 VanDerWaalsContact CD-NZ 3.26Å; E907-K910 WeakPolarHBondContact O-CB 3.3Å; E907-K910 PolarHBondContact O-N 3.32Å; E907-K910 VanDerWaalsContact O-N 3.1Å; E907-K910 WeakPolarHBondContact OE1-CE 3.29Å; E907-K910 IonicContact OE1-NZ 2.8Å; E907-K910 PolarHBondContact OE1-NZ 2.91Å; E907-K910 WeakPolarHBondContact OE2-CD 3.44Å; E907-K910 IonicContact OE2-NZ 3.24Å; E907-K910 PolarHBondContact OE2-NZ 3.4Å; E907-K910 VanDerWaalsContact OE2-NZ 3.11Å; E907-I911 WeakPolarHBondContact O-CG1 3.24Å; E907-I911 PolarHBondContact O-N 3.11Å; E907-F921 WeakPolarHBondContact OE2-CA 3Å; E907-K922 PolarHBondContact OE2-N 3.4Å; E907-K922 VanDerWaalsContact OE2-N 3.11Å
908	L	98.8	Very high	97.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-55.1	-42.7	173	179.6	69.2	0	0	0	112.5	Y472 F488 I491 L493 L596 V904 C905 L906 K910 I911 I912	Y472-L908 HydrophobicContact CD1-CD1 4.31Å; Y472-L908 HydrophobicContact CE1-CD1 3.44Å; Y472-L908 VanDerWaalsContact CE1-CD1 3.44Å; Y472-L908 HydrophobicContact CE2-CD1 4.18Å; Y472-L908 VanDerWaalsContact OH-CD1 3.28Å; Y472-L908 WeakPolarHBondContact OH-CD1 3.27Å; F488-L908 HydrophobicContact CD1-CD2 4.06Å; F488-L908 HydrophobicContact CE1-CD2 3.75Å; I491-L908 HydrophobicContact CD1-CD2 4.25Å; L493-L908 HydrophobicContact CD1-CD2 4.5Å; L493-L908 HydrophobicContact CD2-CD2 4.44Å; L596-L908 HydrophobicContact CD1-CB 3.91Å; L596-L908 HydrophobicContact CD1-CD1 3.78Å; L596-L908 HydrophobicContact CD1-CG 4.43Å; V904-L908 PolarHBondContact O-N 3.38Å; V904-L908 VanDerWaalsContact O-N 3.07Å; C905-L908 WeakPolarHBondContact O-CB 3.31Å; L906-L908 VanDerWaalsContact C-N 3.27Å; L906-L908 PolarHBondContact O-N 3.16Å; L908-K910 VanDerWaalsContact C-N 3.26Å; L908-K910 PolarHBondContact O-N 3.26Å; L908-I911 PolarHBondContact O-N 3.08Å; L908-I912 HydrophobicContact CD1-CD1 3.73Å; L908-I912 HydrophobicContact CD1-CG1 4.23Å; L908-I912 HydrophobicContact CD2-CD1 4.36Å; L908-I912 HydrophobicContact CG-CD1 3.73Å; L908-I912 HydrophobicContact CG-CG1 4.49Å; L908-I912 WeakPolarHBondContact O-CG1 3.39Å; L908-I912 PolarHBondContact O-N 3.06Å
909	F	98.6	Very high	97.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.5	-38.5	178	-69.5	-53.7	0	0	0	111.9	P396 C431 F459 L467 I491 C905 L906 E907 Q913	P396-F909 HydrophobicContact CG-CE2 3.8Å; P396-F909 HydrophobicContact CG-CZ 4.17Å; C431-F909 HydrophobicContact CB-CB 4.49Å; F459-F909 HydrophobicContact CD2-CE1 4.42Å; F459-F909 HydrophobicContact CE2-CD1 4.13Å; F459-F909 AromaticContact CE2-CD2 3.92Å; F459-F909 HydrophobicContact CE2-CD2 3.92Å; F459-F909 AromaticContact CE2-CE1 3.98Å; F459-F909 HydrophobicContact CE2-CE1 3.98Å; F459-F909 AromaticContact CE2-CE2 3.75Å; F459-F909 HydrophobicContact CE2-CE2 3.75Å; F459-F909 HydrophobicContact CE2-CG 4.11Å; F459-F909 AromaticContact CE2-CZ 3.8Å; F459-F909 HydrophobicContact CE2-CZ 3.8Å; F459-F909 HydrophobicContact CZ-CB 4.43Å; F459-F909 HydrophobicContact CZ-CD1 4.42Å; F459-F909 AromaticContact CZ-CD2 3.76Å; F459-F909 HydrophobicContact CZ-CD2 3.76Å; F459-F909 HydrophobicContact CZ-CE2 4.03Å; F459-F909 AromaticContact CZ-CG 3.98Å; F459-F909 HydrophobicContact CZ-CG 3.98Å; F459-F909 HydrophobicContact CZ-CZ 4.48Å; L467-F909 HydrophobicContact CD1-CD1 4.33Å; L467-F909 HydrophobicContact CD1-CE1 4.04Å; L467-F909 HydrophobicContact CD2-CD1 4.27Å; L467-F909 HydrophobicContact CD2-CE1 4.34Å; I491-F909 HydrophobicContact CD1-CE1 4.49Å; I491-F909 HydrophobicContact CD1-CZ 4.18Å; I491-F909 HydrophobicContact CG1-CE1 4.4Å; I491-F909 HydrophobicContact CG1-CZ 4.06Å; I491-F909 HydrophobicContact CG2-CE1 3.97Å; I491-F909 HydrophobicContact CG2-CZ 4.45Å; C905-F909 WeakPolarHBondContact O-CD2 3.3Å; L906-F909 PolarHBondContact O-N 2.65Å; E907-F909 VanDerWaalsContact C-N 3.3Å; E907-F909 PolarHBondContact O-N 3.23Å; F909-Q913 WeakPolarHBondContact O-CB 3.22Å; F909-Q913 VanDerWaalsContact O-CG 3.31Å; F909-Q913 WeakPolarHBondContact O-CG 3.38Å; F909-Q913 PolarHBondContact O-N 2.74Å; F909-Q913 PolarHBondContact O-NE2 3.23Å
910	K	98.3	Very high	97.4	Very high	2 Å²	2	26 Å²	26	1%	0.009	14%	0.135	C	C	.	.	H	α-helix	trans	-68.1	-42.5	179.3	-55.9	176.4	-169.2	174.3	0	111.4	E430 E907 L908 Q913 G914 H915 S920 F921	E430-K910 WeakPolarHBondContact O-CE 3.48Å; E907-K910 VanDerWaalsContact CD-NZ 3.26Å; E907-K910 WeakPolarHBondContact O-CB 3.3Å; E907-K910 PolarHBondContact O-N 3.32Å; E907-K910 VanDerWaalsContact O-N 3.1Å; E907-K910 WeakPolarHBondContact OE1-CE 3.29Å; E907-K910 IonicContact OE1-NZ 2.8Å; E907-K910 PolarHBondContact OE1-NZ 2.91Å; E907-K910 WeakPolarHBondContact OE2-CD 3.44Å; E907-K910 IonicContact OE2-NZ 3.24Å; E907-K910 PolarHBondContact OE2-NZ 3.4Å; E907-K910 VanDerWaalsContact OE2-NZ 3.11Å; L908-K910 VanDerWaalsContact C-N 3.26Å; L908-K910 PolarHBondContact O-N 3.26Å; K910-Q913 PolarHBondContact O-N 2.82Å; K910-G914 PolarHBondContact O-N 3.04Å; K910-G914 VanDerWaalsContact O-N 3.14Å; K910-H915 HydrophobicContact CB-CB 4.19Å; K910-H915 WeakPolarHBondContact O-CB 3.36Å; K910-H915 PolarHBondContact O-CD2 3.2Å; K910-H915 PolarHBondContact O-N 2.84Å; K910-S920 WeakPolarHBondContact CD-O 3.32Å; K910-S920 VanDerWaalsContact CE-O 3.26Å; K910-S920 WeakPolarHBondContact CE-O 3.19Å; K910-S920 PolarHBondContact NZ-O 3.03Å; K910-F921 HydrophobicContact CB-CD1 4.27Å; K910-F921 HydrophobicContact CB-CE1 3.79Å; K910-F921 HydrophobicContact CB-CZ 4.47Å; K910-F921 HydrophobicContact CD-CD1 4.27Å
911	I	98.1	Very high	97.3	Very high	22 Å²	22	26 Å²	26	11%	0.113	14%	0.135	C	C	.	.	H	α-helix	trans	-60	-48.2	176.6	-66.2	171.1	0	0	0	110.7	P594 L596 V609 I611 E907 L908 Q913 G914 F921	P594-I911 HydrophobicContact CB-CD1 4.31Å; P594-I911 HydrophobicContact CB-CG2 3.78Å; P594-I911 HydrophobicContact CG-CG2 3.64Å; L596-I911 HydrophobicContact CD1-CD1 4.21Å; L596-I911 HydrophobicContact CD2-CD1 3.52Å; L596-I911 HydrophobicContact CG-CD1 3.74Å; V609-I911 HydrophobicContact CG2-CD1 3.95Å; V609-I911 HydrophobicContact CG2-CG1 4.41Å; I611-I911 HydrophobicContact CD1-CD1 3.96Å; I611-I911 HydrophobicContact CD1-CG1 3.58Å; E907-I911 WeakPolarHBondContact O-CG1 3.24Å; E907-I911 PolarHBondContact O-N 3.11Å; L908-I911 PolarHBondContact O-N 3.08Å; I911-Q913 VanDerWaalsContact C-N 3.35Å; I911-Q913 PolarHBondContact O-N 2.82Å; I911-G914 WeakPolarHBondContact O-CA 3.38Å; I911-G914 PolarHBondContact O-N 3.34Å; I911-F921 HydrophobicContact CG1-CE1 4.19Å
912	I	97.5	Very high	97.3	Very high	18 Å²	18	27.2 Å²	27.2	9%	0.092	14%	0.14	C	C	.	.	H	α-helix	trans	-69.5	-34.5	-176.2	-68.2	171.2	0	0	0	111.6	L463 I466 L467 Q470 Y472 L493 L908 G914	L463-I912 HydrophobicContact CD1-CG2 4.1Å; I466-I912 HydrophobicContact CG2-CG2 3.62Å; L467-I912 HydrophobicContact CD2-CD1 3.36Å; L467-I912 HydrophobicContact CD2-CG2 4.17Å; L467-I912 HydrophobicContact CG-CG2 4.43Å; Q470-I912 HydrophobicContact CG-CD1 3.8Å; Q470-I912 HydrophobicContact CG-CG1 4.13Å; Q470-I912 HydrophobicContact CG-CG2 4.24Å; Y472-I912 HydrophobicContact CE2-CD1 4.32Å; Y472-I912 HydrophobicContact CE2-CG1 4.38Å; L493-I912 HydrophobicContact CD1-CD1 3.72Å; L908-I912 HydrophobicContact CD1-CD1 3.73Å; L908-I912 HydrophobicContact CD1-CG1 4.23Å; L908-I912 HydrophobicContact CD2-CD1 4.36Å; L908-I912 HydrophobicContact CG-CD1 3.73Å; L908-I912 HydrophobicContact CG-CG1 4.49Å; L908-I912 WeakPolarHBondContact O-CG1 3.39Å; L908-I912 PolarHBondContact O-N 3.06Å; I912-G914 PolarHBondContact O-N 3.02Å
913	Q	95.8	Very high	97.3	Very high	55 Å²	55	27.8 Å²	27.8	26%	0.257	14%	0.143	S	C	.	.	H	α-helix	trans	-70.8	-10.5	171	-74	174.1	103.4	0	0	113.2	C431 L463 F909 K910 I911	C431-Q913 PolarHBondContact O-NE2 3.07Å; L463-Q913 HydrophobicContact CD1-CG 3.55Å; L463-Q913 HydrophobicContact CD2-CG 3.73Å; L463-Q913 HydrophobicContact CG-CG 4.29Å; F909-Q913 WeakPolarHBondContact O-CB 3.22Å; F909-Q913 VanDerWaalsContact O-CG 3.31Å; F909-Q913 WeakPolarHBondContact O-CG 3.38Å; F909-Q913 PolarHBondContact O-N 2.74Å; F909-Q913 PolarHBondContact O-NE2 3.23Å; K910-Q913 PolarHBondContact O-N 2.82Å; I911-Q913 VanDerWaalsContact C-N 3.35Å; I911-Q913 PolarHBondContact O-N 2.82Å
914	G	95.7	Very high	97.2	Very high	38 Å²	38	27.6 Å²	27.6	39%	0.392	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	28.1	175.8	0	0	0	0	0	114.2	K910 I911 I912	K910-G914 PolarHBondContact O-N 3.04Å; K910-G914 VanDerWaalsContact O-N 3.14Å; I911-G914 WeakPolarHBondContact O-CA 3.38Å; I911-G914 PolarHBondContact O-N 3.34Å; I912-G914 PolarHBondContact O-N 3.02Å
915	H	96.4	Very high	97.2	Very high	5 Å²	5	31.9 Å²	31.9	2%	0.023	16%	0.161	C	C	.	.			trans	-52.6	142.2	178.1	-73.8	-155.7	0	0	0	111.8	E430 L432 E434 K910 F921	E430-H915 PolarHBondContact O-CE1 2.73Å; E430-H915 VanDerWaalsContact O-CE1 3.3Å; L432-H915 PolarHBondContact O-CE1 3.44Å; L432-H915 PolarHBondContact O-NE2 3Å; E434-H915 VanDerWaalsContact CD-CA 3.5Å; E434-H915 HydrophobicContact CG-CB 4.24Å; E434-H915 VanDerWaalsContact OE1-CA 3.32Å; E434-H915 WeakPolarHBondContact OE1-CA 3.27Å; E434-H915 WeakPolarHBondContact OE1-CB 3.43Å; E434-H915 IonicContact OE1-CG 3.9Å; E434-H915 IonicContact OE1-ND1 3.52Å; K910-H915 HydrophobicContact CB-CB 4.19Å; K910-H915 WeakPolarHBondContact O-CB 3.36Å; K910-H915 PolarHBondContact O-CD2 3.2Å; K910-H915 PolarHBondContact O-N 2.84Å; H915-F921 HydrophobicContact CB-CE1 4.36Å; H915-F921 HydrophobicContact CB-CE2 3.92Å; H915-F921 HydrophobicContact CB-CZ 3.58Å; H915-F921 WeakPolarHBondContact O-CZ 3.34Å
916	K	94.3	Very high	97.2	Very high	130 Å²	130	32.3 Å²	32.3	57%	0.565	16%	0.163	S	C	*	.			trans	-126.9	-16.7	-178.1	-62.5	-60.1	176.1	-170.2	0	113.9	E434 V614	E434-K916 VanDerWaalsContact CD-N 3.31Å; E434-K916 PolarHBondContact OE1-N 3.23Å; E434-K916 PolarHBondContact OE2-N 2.92Å; V614-K916 HydrophobicContact CG2-CD 4.33Å
917	K	95.5	Very high	97.2	Very high	109 Å²	109	32.8 Å²	32.8	47%	0.474	17%	0.166	S	C	.	.			trans	-81.7	133	179.8	-58	-179.4	-179	-179.5	0	110	E434 D919 S920 F921	E434-K917 WeakPolarHBondContact OE1-CB 3.47Å; E434-K917 PolarHBondContact OE1-N 3.41Å; K917-D919 VanDerWaalsContact C-N 3.3Å; K917-D919 WeakPolarHBondContact CB-OD1 3.21Å; K917-D919 PolarHBondContact O-N 3.26Å; K917-S920 WeakPolarHBondContact O-CB 3.44Å; K917-S920 PolarHBondContact O-N 3.48Å; K917-F921 VanDerWaalsContact O-CD2 3.29Å; K917-F921 WeakPolarHBondContact O-CD2 3.37Å
918	L	94.6	Very high	97.1	Very high	52 Å²	52	32.3 Å²	32.3	27%	0.272	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-61	-39.3	179.6	-77.9	164	0	0	0	112.2	V614 T615 S920 F921 A940	V614-L918 HydrophobicContact CG1-CD2 3.63Å; V614-L918 HydrophobicContact CG1-CG 3.95Å; T615-L918 HydrophobicContact CG2-CD2 3.94Å; L918-S920 PolarHBondContact O-N 3.17Å; L918-S920 VanDerWaalsContact O-N 3.14Å; L918-F921 PolarHBondContact O-N 3.3Å; L918-F921 VanDerWaalsContact O-N 3.07Å; L918-A940 HydrophobicContact CD1-CB 3.68Å
919	D	94.6	Very high	97.1	Very high	81 Å²	81	32.3 Å²	32.3	43%	0.433	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-59.6	-24.4	-179.3	60.9	7.8	0	0	0	114	K917 K922	K917-D919 VanDerWaalsContact C-N 3.3Å; K917-D919 WeakPolarHBondContact CB-OD1 3.21Å; K917-D919 PolarHBondContact O-N 3.26Å; D919-K922 PolarHBondContact O-NZ 2.93Å
920	S	95.7	Very high	96.9	Very high	15 Å²	15	36.4 Å²	36.4	11%	0.105	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-77.2	-29.1	179.7	-60.9	0	0	0	0	111.7	E430 E434 K910 K917 L918	E430-S920 WeakPolarHBondContact CB-O 3.45Å; E434-S920 PolarHBondContact OE1-OG 3.44Å; K910-S920 WeakPolarHBondContact CD-O 3.32Å; K910-S920 VanDerWaalsContact CE-O 3.26Å; K910-S920 WeakPolarHBondContact CE-O 3.19Å; K910-S920 PolarHBondContact NZ-O 3.03Å; K917-S920 WeakPolarHBondContact O-CB 3.44Å; K917-S920 PolarHBondContact O-N 3.48Å; L918-S920 PolarHBondContact O-N 3.17Å; L918-S920 VanDerWaalsContact O-N 3.14Å
921	F	98.1	Very high	96.4	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.			trans	-87.7	150.9	179.2	-66.2	-76.2	0	0	0	111.6	V609 I611 E907 K910 I911 H915 K917 L918 P938	V609-F921 HydrophobicContact CG1-CB 3.89Å; V609-F921 HydrophobicContact CG1-CD1 4.04Å; V609-F921 HydrophobicContact CG1-CG 4.26Å; V609-F921 HydrophobicContact CG2-CD1 4.13Å; V609-F921 HydrophobicContact CG2-CE1 4.47Å; I611-F921 HydrophobicContact CD1-CD1 4.33Å; I611-F921 HydrophobicContact CD1-CE1 3.71Å; I611-F921 HydrophobicContact CD1-CZ 3.92Å; I611-F921 HydrophobicContact CG1-CD1 4.17Å; I611-F921 HydrophobicContact CG1-CD2 4.38Å; I611-F921 HydrophobicContact CG1-CE1 3.8Å; I611-F921 HydrophobicContact CG1-CE2 4.03Å; I611-F921 HydrophobicContact CG1-CG 4.44Å; I611-F921 HydrophobicContact CG1-CZ 3.72Å; I611-F921 HydrophobicContact CG2-CZ 4.45Å; E907-F921 WeakPolarHBondContact OE2-CA 3Å; K910-F921 HydrophobicContact CB-CD1 4.27Å; K910-F921 HydrophobicContact CB-CE1 3.79Å; K910-F921 HydrophobicContact CB-CZ 4.47Å; K910-F921 HydrophobicContact CD-CD1 4.27Å; I911-F921 HydrophobicContact CG1-CE1 4.19Å; H915-F921 HydrophobicContact CB-CE1 4.36Å; H915-F921 HydrophobicContact CB-CE2 3.92Å; H915-F921 HydrophobicContact CB-CZ 3.58Å; H915-F921 WeakPolarHBondContact O-CZ 3.34Å; K917-F921 VanDerWaalsContact O-CD2 3.29Å; K917-F921 WeakPolarHBondContact O-CD2 3.37Å; L918-F921 PolarHBondContact O-N 3.3Å; L918-F921 VanDerWaalsContact O-N 3.07Å; F921-P938 HydrophobicContact CB-CG 3.62Å; F921-P938 WeakPolarHBondContact O-CD 3.42Å
922	K	98.3	Very high	96.3	Very high	24 Å²	24	40.1 Å²	40.1	10%	0.104	20%	0.202	C	C	.	.			trans	-135.2	121.2	176.9	-60.9	-65.7	-179.3	-131.6	0	111.2	E907 D919 F935 S936	E907-K922 PolarHBondContact OE2-N 3.4Å; E907-K922 VanDerWaalsContact OE2-N 3.11Å; D919-K922 PolarHBondContact O-NZ 2.93Å; K922-F935 HydrophobicContact CB-CB 4.35Å; K922-F935 HydrophobicContact CB-CD1 4.08Å; K922-F935 HydrophobicContact CD-CB 4.22Å; K922-S936 CarbonylContact C-O 3.52Å; K922-S936 WeakPolarHBondContact CA-O 3.36Å
923	N	98.4	Very high	96.4	Very high	12 Å²	12	39.3 Å²	39.3	6%	0.064	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	137.6	156.5	-69.5	-13.4	0	0	0	107.8	I607 Q608 V609 F925 F935 S936	I607-N923 WeakPolarHBondContact O-CA 3.43Å; Q608-N923 WeakPolarHBondContact CA-OD1 3.33Å; V609-N923 PolarHBondContact N-OD1 3.15Å; V609-N923 VanDerWaalsContact N-OD1 3.1Å; N923-F925 HydrophobicContact CB-CE2 4.2Å; N923-F925 HydrophobicContact CB-CZ 4.45Å; N923-F935 CarbonylContact O-C 3.47Å; N923-F935 VanDerWaalsContact O-CA 3.24Å; N923-F935 WeakPolarHBondContact O-CA 3.44Å; N923-S936 PolarHBondContact N-O 2.57Å; N923-S936 PolarHBondContact O-N 2.97Å
924	G	98	Very high	96.4	Very high	2 Å²	2	37.7 Å²	37.7	2%	0.021	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	140.6	-171.9	0	0	0	0	0	110.8	N606 I607	N606-G924 CarbonylContact C-O 3.39Å; N606-G924 WeakPolarHBondContact CA-O 3.47Å; I607-G924 PolarHBondContact N-O 2.83Å; I607-G924 PolarHBondContact O-N 3.37Å; I607-G924 VanDerWaalsContact O-N 3.16Å
925	F	98.3	Very high	96.5	Very high	92 Å²	92	37.4 Å²	37.4	40%	0.404	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	134.8	179.9	-54.9	-87.7	0	0	0	108.4	N606 N923 F932 F933 A934	N606-F925 HydrophobicContact CB-CD1 4.07Å; N606-F925 HydrophobicContact CB-CE1 4.38Å; N923-F925 HydrophobicContact CB-CE2 4.2Å; N923-F925 HydrophobicContact CB-CZ 4.45Å; F925-F932 HydrophobicContact CB-CE1 4.41Å; F925-F933 CarbonylContact O-C 3.58Å; F925-F933 WeakPolarHBondContact O-CA 3.5Å; F925-A934 PolarHBondContact N-O 2.87Å; F925-A934 PolarHBondContact O-N 2.82Å
926	M	97.9	Very high	96.6	Very high	9 Å²	9	39.6 Å²	39.6	4%	0.044	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	154.9	176.5	61.7	178.7	154.1	0	0	113.3	F400 K604 G605 A899 V900 L903 L928 F932 F933	F400-M926 HydrophobicContact CE2-SD 4.44Å; K604-M926 CarbonylContact C-O 3.54Å; K604-M926 VanDerWaalsContact CA-O 3.28Å; K604-M926 WeakPolarHBondContact CA-O 3.48Å; G605-M926 PolarHBondContact N-O 3.16Å; G605-M926 PolarHBondContact O-N 2.88Å; A899-M926 HydrophobicContact CB-CE 3.76Å; A899-M926 HydrophobicContact CB-SD 4Å; V900-M926 HydrophobicContact CB-CE 3.95Å; V900-M926 HydrophobicContact CG2-CE 3.19Å; V900-M926 VanDerWaalsContact N-CE 3.33Å; L903-M926 HydrophobicContact CD1-CE 4.17Å; M926-L928 HydrophobicContact SD-CD2 4.06Å; M926-F932 CarbonylContact C-O 3.56Å; M926-F932 WeakPolarHBondContact CA-O 3.28Å; M926-F932 VanDerWaalsContact CB-O 3.23Å; M926-F932 WeakPolarHBondContact CB-O 3.47Å; M926-F933 HydrophobicContact CB-CD1 3.58Å; M926-F933 HydrophobicContact CB-CE1 3.99Å; M926-F933 HydrophobicContact CB-CG 4.44Å; M926-F933 HydrophobicContact CG-CD1 4.49Å; M926-F933 HydrophobicContact SD-CD1 4.11Å; M926-F933 HydrophobicContact SD-CE1 3.86Å
927	N	98.5	Very high	96.7	Very high	13 Å²	13	38.4 Å²	38.4	7%	0.07	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	104.8	166.8	-177	-0.2	0	0	0	108.8	T603 K604 A929 L930 P931 F932	T603-N927 WeakPolarHBondContact CB-OD1 3.37Å; T603-N927 WeakPolarHBondContact O-CA 3.15Å; T603-N927 PolarHBondContact OG1-OD1 3.4Å; K604-N927 HydrophobicContact CG-CB 4.2Å; N927-A929 PolarHBondContact O-N 3.23Å; N927-A929 VanDerWaalsContact O-N 3.1Å; N927-A929 WeakPolarHBondContact OD1-CB 3.26Å; N927-A929 PolarHBondContact OD1-N 3.23Å; N927-L930 HydrophobicContact CB-CD1 4.41Å; N927-L930 PolarHBondContact O-N 2.99Å; N927-L930 VanDerWaalsContact O-N 3.17Å; N927-P931 CarbonylContact O-C 3.56Å; N927-P931 WeakPolarHBondContact O-CA 3.48Å; N927-F932 HydrophobicContact CB-CB 4.4Å; N927-F932 PolarHBondContact N-O 2.82Å; N927-F932 PolarHBondContact O-N 2.89Å
928	L	98.5	Very high	96.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-9.8	-177.7	-53.4	-176.3	0	0	0	113.1	V404 Q407 K411 T603 M926 F933	V404-L928 HydrophobicContact CG2-CD2 4.06Å; Q407-L928 HydrophobicContact CB-CD1 4.04Å; Q407-L928 HydrophobicContact CG-CB 3.89Å; Q407-L928 HydrophobicContact CG-CD1 4.12Å; K411-L928 WeakPolarHBondContact CE-O 3.31Å; K411-L928 PolarHBondContact NZ-O 3.36Å; T603-L928 PolarHBondContact O-N 3.02Å; M926-L928 HydrophobicContact SD-CD2 4.06Å; L928-F933 HydrophobicContact CD2-CE1 3.67Å; L928-F933 HydrophobicContact CD2-CZ 3.67Å
929	A	98	Very high	96.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-23.6	174.5	0	0	0	0	0	113.6	N212 F417 M418 T603 N927	N212-A929 VanDerWaalsContact O-CB 3.25Å; N212-A929 WeakPolarHBondContact O-CB 3.41Å; F417-A929 HydrophobicContact CB-CB 4.16Å; F417-A929 WeakPolarHBondContact CB-O 3.48Å; F417-A929 HydrophobicContact CD1-CB 3.44Å; F417-A929 VanDerWaalsContact CD1-CB 3.44Å; F417-A929 HydrophobicContact CD2-CB 4.49Å; F417-A929 HydrophobicContact CE1-CB 3.92Å; F417-A929 HydrophobicContact CG-CB 3.78Å; M418-A929 PolarHBondContact N-O 2.93Å; T603-A929 HydrophobicContact CG2-CB 4.11Å; T603-A929 WeakPolarHBondContact OG1-CB 3.37Å; N927-A929 PolarHBondContact O-N 3.23Å; N927-A929 VanDerWaalsContact O-N 3.1Å; N927-A929 WeakPolarHBondContact OD1-CB 3.26Å; N927-A929 PolarHBondContact OD1-N 3.23Å
930	L	95.3	Very high	97.1	Very high	86 Å²	86	34.2 Å²	34.2	45%	0.45	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-15.1	-172.8	-69	178.1	0	0	0	115.5	N212 N927 F932	N212-L930 HydrophobicContact CB-CD2 3.66Å; N927-L930 HydrophobicContact CB-CD1 4.41Å; N927-L930 PolarHBondContact O-N 2.99Å; N927-L930 VanDerWaalsContact O-N 3.17Å; L930-F932 HydrophobicContact CB-CB 4.04Å; L930-F932 HydrophobicContact CD1-CB 4.34Å
931	P	85.9	Confident	97.1	Very high	15 Å²	15	33.9 Å²	33.9	10%	0.097	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn		-37.8	120.9	-70.8	28.8	-42	0	0	0	114	M316 M418 V420 N927 F933	M316-P931 HydrophobicContact CE-CB 4.2Å; M316-P931 HydrophobicContact CE-CG 4.41Å; M316-P931 WeakPolarHBondContact CE-O 3.45Å; M418-P931 WeakPolarHBondContact O-CD 3.43Å; V420-P931 HydrophobicContact CB-CG 4.46Å; V420-P931 HydrophobicContact CG2-CB 4.01Å; V420-P931 HydrophobicContact CG2-CG 3.75Å; N927-P931 CarbonylContact O-C 3.56Å; N927-P931 WeakPolarHBondContact O-CA 3.48Å; P931-F933 HydrophobicContact CB-CE2 4.33Å
932	F	97.8	Very high	97	Very high	87 Å²	87	37 Å²	37	38%	0.382	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.7	176.9	167.8	-100.6	0	0	0	109.9	F320 F925 M926 N927 L930 A934	F320-F932 HydrophobicContact CE2-CE2 4.47Å; F925-F932 HydrophobicContact CB-CE1 4.41Å; M926-F932 CarbonylContact C-O 3.56Å; M926-F932 WeakPolarHBondContact CA-O 3.28Å; M926-F932 VanDerWaalsContact CB-O 3.23Å; M926-F932 WeakPolarHBondContact CB-O 3.47Å; N927-F932 HydrophobicContact CB-CB 4.4Å; N927-F932 PolarHBondContact N-O 2.82Å; N927-F932 PolarHBondContact O-N 2.89Å; L930-F932 HydrophobicContact CB-CB 4.04Å; L930-F932 HydrophobicContact CD1-CB 4.34Å; F932-A934 HydrophobicContact CE1-CB 3.9Å; F932-A934 HydrophobicContact CE2-CB 4.01Å; F932-A934 HydrophobicContact CZ-CB 3.36Å
933	F	97.9	Very high	96.9	Very high	1 Å²	1	45.5 Å²	45.5	0%	0.004	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	139.8	167.8	-53.4	-84.2	0	0	0	108.4	M316 T318 F400 V404 L424 F925 M926 L928 P931 F935	M316-F933 HydrophobicContact CE-CD2 3.3Å; M316-F933 HydrophobicContact CE-CE2 3.67Å; M316-F933 HydrophobicContact CE-CG 4.44Å; M316-F933 HydrophobicContact SD-CD2 3.82Å; M316-F933 HydrophobicContact SD-CE2 4.05Å; T318-F933 HydrophobicContact CG2-CD2 4.34Å; T318-F933 CarbonylContact O-C 3.57Å; T318-F933 VanDerWaalsContact O-CB 3.3Å; T318-F933 WeakPolarHBondContact O-CB 3.2Å; F400-F933 HydrophobicContact CE2-CD1 4.13Å; F400-F933 AromaticContact CE2-CE1 3.87Å; F400-F933 HydrophobicContact CE2-CE1 3.87Å; F400-F933 AromaticContact CZ-CD1 4Å; F400-F933 HydrophobicContact CZ-CD1 4Å; F400-F933 AromaticContact CZ-CE1 3.88Å; F400-F933 HydrophobicContact CZ-CE1 3.88Å; V404-F933 HydrophobicContact CG1-CZ 3.99Å; V404-F933 HydrophobicContact CG2-CE1 3.94Å; V404-F933 HydrophobicContact CG2-CZ 3.77Å; L424-F933 HydrophobicContact CD1-CD2 4.19Å; L424-F933 HydrophobicContact CD1-CE2 3.51Å; L424-F933 HydrophobicContact CD1-CZ 4.2Å; F925-F933 CarbonylContact O-C 3.58Å; F925-F933 WeakPolarHBondContact O-CA 3.5Å; M926-F933 HydrophobicContact CB-CD1 3.58Å; M926-F933 HydrophobicContact CB-CE1 3.99Å; M926-F933 HydrophobicContact CB-CG 4.44Å; M926-F933 HydrophobicContact CG-CD1 4.49Å; M926-F933 HydrophobicContact SD-CD1 4.11Å; M926-F933 HydrophobicContact SD-CE1 3.86Å; L928-F933 HydrophobicContact CD2-CE1 3.67Å; L928-F933 HydrophobicContact CD2-CZ 3.67Å; P931-F933 HydrophobicContact CB-CE2 4.33Å; F933-F935 HydrophobicContact CB-CE2 4.41Å
934	A	97.1	Very high	96.7	Very high	21 Å²	21	48.1 Å²	48.1	17%	0.174	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	143.2	170.5	0	0	0	0	0	109.5	F925 F932	F925-A934 PolarHBondContact N-O 2.87Å; F925-A934 PolarHBondContact O-N 2.82Å; F932-A934 HydrophobicContact CE1-CB 3.9Å; F932-A934 HydrophobicContact CE2-CB 4.01Å; F932-A934 HydrophobicContact CZ-CB 3.36Å
935	F	98.2	Very high	96.5	Very high	31 Å²	31	53.7 Å²	53.7	14%	0.136	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	142.8	175.2	-62.3	-88.1	0	0	0	109.1	T318 D319 F426 L903 K922 N923 F933	T318-F935 WeakPolarHBondContact O-CD2 3.39Å; T318-F935 WeakPolarHBondContact O-CE2 3.33Å; D319-F935 HydrophobicContact CB-CD2 3.89Å; F426-F935 HydrophobicContact CE2-CE2 4.04Å; F426-F935 AromaticContact CE2-CZ 3.84Å; F426-F935 HydrophobicContact CE2-CZ 3.84Å; L903-F935 HydrophobicContact CD1-CE1 3.88Å; L903-F935 HydrophobicContact CD1-CZ 3.96Å; L903-F935 HydrophobicContact CD2-CE1 3.94Å; L903-F935 HydrophobicContact CD2-CZ 3.88Å; L903-F935 HydrophobicContact CG-CE1 4.46Å; K922-F935 HydrophobicContact CB-CB 4.35Å; K922-F935 HydrophobicContact CB-CD1 4.08Å; K922-F935 HydrophobicContact CD-CB 4.22Å; N923-F935 CarbonylContact O-C 3.47Å; N923-F935 VanDerWaalsContact O-CA 3.24Å; N923-F935 WeakPolarHBondContact O-CA 3.44Å; F933-F935 HydrophobicContact CB-CE2 4.41Å
936	S	97.2	Very high	96.2	Very high	51 Å²	51	49.9 Å²	49.9	36%	0.357	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	151.1	173.8	71.8	0	0	0	0	109.6	K922 N923	K922-S936 CarbonylContact C-O 3.52Å; K922-S936 WeakPolarHBondContact CA-O 3.36Å; N923-S936 PolarHBondContact N-O 2.57Å; N923-S936 PolarHBondContact O-N 2.97Å
937	E	97	Very high	95.8	Very high	105 Å²	105	53 Å²	53	49%	0.491	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-61.1	143.7	166.4	-63.9	176.4	-174.9	0	0	109.3
938	P	97.3	Very high	95.3	Very high	7 Å²	7	60.3 Å²	60.3	5%	0.045	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-61	148.3	169.4	-20.5	32	0	0	0	110.9	V609 T615 F921 A940	V609-P938 HydrophobicContact CG1-CG 3.64Å; T615-P938 HydrophobicContact CG2-CB 3.62Å; T615-P938 HydrophobicContact CG2-CG 4.22Å; F921-P938 HydrophobicContact CB-CG 3.62Å; F921-P938 WeakPolarHBondContact O-CD 3.42Å; P938-A940 PolarHBondContact O-N 3.47Å
939	I	97.4	Very high	95	Very high	102 Å²	102	64.2 Å²	64.2	52%	0.523	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-70.1	134.2	174.2	-60.2	176.9	0	0	0	108.5	T615 E616	T615-I939 CarbonylContact C-O 3.51Å; T615-I939 VanDerWaalsContact CA-O 3.28Å; T615-I939 WeakPolarHBondContact CA-O 3.45Å; E616-I939 HydrophobicContact CG-CB 4.02Å; E616-I939 PolarHBondContact N-O 3.04Å
940	A	97.7	Very high	94.8	Very high	46 Å²	46	68.4 Å²	68.4	38%	0.38	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-63	148.5	174.9	0	0	0	0	0	111	V614 L918 P938 P942	V614-A940 WeakPolarHBondContact O-CA 3.43Å; L918-A940 HydrophobicContact CD1-CB 3.68Å; P938-A940 PolarHBondContact O-N 3.47Å; A940-P942 WeakPolarHBondContact O-CD 3.45Å
941	A	96.8	Very high	94.9	Very high	8 Å²	8	65.4 Å²	65.4	7%	0.066	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-57.3	126.4	172	0	0	0	0	0	109.9	V614 T615 R943 T952 L953	V614-A941 PolarHBondContact O-N 3.4Å; T615-A941 VanDerWaalsContact C-N 3.34Å; T615-A941 WeakPolarHBondContact O-CB 3.17Å; A941-R943 PolarHBondContact O-N 3.06Å; A941-T952 HydrophobicContact CB-CG2 4.12Å; A941-L953 HydrophobicContact CB-CD2 4.48Å
942	P	95.7	Very high	95.4	Very high	64 Å²	64	65.5 Å²	65.5	42%	0.416	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-55	133.8	175.7	-27.3	35.7	0	0	0	111.2	A940	A940-P942 WeakPolarHBondContact O-CD 3.45Å
943	R	95.6	Very high	95.3	Very high	203 Å²	203	63.1 Å²	63.1	77%	0.766	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-97.8	123.1	176.6	-69.5	-175.8	-178.7	165	1.8	109.8	A941 W951 T952	A941-R943 PolarHBondContact O-N 3.06Å; R943-W951 WeakPolarHBondContact CA-O 3.46Å; R943-T952 HydrophobicContact CG-CG2 3.91Å
944	H	94.6	Very high	95.3	Very high	67 Å²	67	63 Å²	63	31%	0.31	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	159.8	175.3	-61.6	-108.5	0	0	0	108.6	W951 E1048	H944-W951 HydrophobicContact CB-CD2 4.34Å; H944-W951 HydrophobicContact CB-CG 4.39Å; H944-W951 HydrophobicContact CB-CZ2 4.13Å; H944-W951 VanDerWaalsContact CB-NE1 3.32Å; H944-W951 PolarHBondContact N-O 3.03Å; H944-W951 PolarHBondContact O-N 3.05Å; H944-E1048 IonicContact CE1-OE2 3.57Å; H944-E1048 IonicContact ND1-OE2 3.28Å; H944-E1048 PolarHBondContact ND1-OE2 2.83Å
945	K	93.4	Very high	95.3	Very high	120 Å²	120	64.3 Å²	64.3	52%	0.522	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	140.3	179	-75.8	-170.9	170.6	-166.2	0	111.4	I949 D950	K945-I949 WeakPolarHBondContact CA-O 3.4Å; K945-D950 WeakPolarHBondContact CE-OD1 3.36Å; K945-D950 WeakPolarHBondContact CE-OD2 3.49Å; K945-D950 VanDerWaalsContact CG-OD1 3.28Å; K945-D950 WeakPolarHBondContact CG-OD1 3.41Å; K945-D950 IonicContact NZ-OD1 3.56Å; K945-D950 IonicContact NZ-OD2 2.7Å
946	Y	91.9	Very high	95.2	Very high	11 Å²	11	63.8 Å²	63.8	4%	0.043	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	130.4	158	67.5	-83.9	0	0	0	107.3	E948 I949 W951 F957 L984 V1049 P1050	Y946-E948 PolarHBondContact O-N 3.24Å; Y946-I949 HydrophobicContact CE1-CB 4.09Å; Y946-I949 HydrophobicContact CE1-CG2 3.88Å; Y946-I949 HydrophobicContact CE2-CB 4.22Å; Y946-I949 HydrophobicContact CE2-CD1 3.74Å; Y946-I949 HydrophobicContact CE2-CG1 4.48Å; Y946-I949 PolarHBondContact N-O 3.31Å; Y946-I949 PolarHBondContact O-N 3.43Å; Y946-W951 AromaticContact CD1-CD1 3.75Å; Y946-F957 HydrophobicContact CE1-CZ 4.46Å; Y946-F957 AromaticContact CZ-CZ 3.98Å; Y946-F957 WeakPolarHBondContact OH-CZ 3.34Å; Y946-L984 HydrophobicContact CD2-CD1 4.27Å; Y946-L984 HydrophobicContact CD2-CD2 4.01Å; Y946-L984 HydrophobicContact CE2-CD1 3.98Å; Y946-L984 HydrophobicContact CE2-CD2 4.45Å; Y946-L984 HydrophobicContact CE2-CG 4.47Å; Y946-V1049 HydrophobicContact CD1-CG1 3.95Å; Y946-V1049 HydrophobicContact CD2-CG1 4.29Å; Y946-V1049 HydrophobicContact CE1-CG1 4.45Å; Y946-V1049 HydrophobicContact CG-CG1 3.87Å; Y946-P1050 HydrophobicContact CE1-CG 4.49Å
947	Y	90	Very high	95.3	Very high	75 Å²	75	62.1 Å²	62.1	29%	0.294	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	-128.1	-163.2	-49.3	-63.4	0	0	0	111.9	K983 L984 D1041 L1042	Y947-K983 HydrophobicContact CE2-CB 4.36Å; Y947-K983 PolarHBondContact OH-O 3.04Å; Y947-L984 HydrophobicContact CE2-CD2 3.89Å; Y947-D1041 HydrophobicContact CD1-CB 4.47Å; Y947-D1041 HydrophobicContact CE1-CB 3.58Å; Y947-D1041 VanDerWaalsContact OH-C 3.26Å; Y947-D1041 WeakPolarHBondContact OH-CA 3.36Å; Y947-D1041 WeakPolarHBondContact OH-CB 3.5Å; Y947-L1042 HydrophobicContact CE1-CB 4.25Å; Y947-L1042 HydrophobicContact CE1-CG 4.27Å; Y947-L1042 WeakPolarHBondContact OH-CG 3.43Å; Y947-L1042 PolarHBondContact OH-N 3.44Å
948	E	88.8	Confident	95.2	Very high	167 Å²	167	61.3 Å²	61.3	78%	0.78	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	13.9	174.9	-60	-59.3	149.6	0	0	112.7	Y946	Y946-E948 PolarHBondContact O-N 3.24Å
949	I	91.8	Very high	95.2	Very high	81 Å²	81	61.2 Å²	61.2	42%	0.415	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	115.6	-178.3	-58.7	173.3	0	0	0	109.2	K945 Y946	K945-I949 WeakPolarHBondContact CA-O 3.4Å; Y946-I949 HydrophobicContact CE1-CB 4.09Å; Y946-I949 HydrophobicContact CE1-CG2 3.88Å; Y946-I949 HydrophobicContact CE2-CB 4.22Å; Y946-I949 HydrophobicContact CE2-CD1 3.74Å; Y946-I949 HydrophobicContact CE2-CG1 4.48Å; Y946-I949 PolarHBondContact N-O 3.31Å; Y946-I949 PolarHBondContact O-N 3.43Å
950	D	94.7	Very high	95	Very high	89 Å²	89	64.3 Å²	64.3	48%	0.476	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	136.5	169.9	-78.2	-62.9	0	0	0	110.8	K945	K945-D950 WeakPolarHBondContact CE-OD1 3.36Å; K945-D950 WeakPolarHBondContact CE-OD2 3.49Å; K945-D950 VanDerWaalsContact CG-OD1 3.28Å; K945-D950 WeakPolarHBondContact CG-OD1 3.41Å; K945-D950 IonicContact NZ-OD1 3.56Å; K945-D950 IonicContact NZ-OD2 2.7Å
951	W	96.2	Very high	94.7	Very high	23 Å²	23	62.1 Å²	62.1	9%	0.087	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	161.8	172.1	79.8	-79.9	0	0	0	112.4	R943 H944 Y946 D955 E1048 V1049 P1050	R943-W951 WeakPolarHBondContact CA-O 3.46Å; H944-W951 HydrophobicContact CB-CD2 4.34Å; H944-W951 HydrophobicContact CB-CG 4.39Å; H944-W951 HydrophobicContact CB-CZ2 4.13Å; H944-W951 VanDerWaalsContact CB-NE1 3.32Å; H944-W951 PolarHBondContact N-O 3.03Å; H944-W951 PolarHBondContact O-N 3.05Å; Y946-W951 AromaticContact CD1-CD1 3.75Å; W951-D955 WeakPolarHBondContact CA-OD2 3.39Å; W951-D955 HydrophobicContact CB-CB 4.08Å; W951-E1048 HydrophobicContact CZ2-CB 4.47Å; W951-E1048 HydrophobicContact CZ2-CG 3.95Å; W951-E1048 PolarHBondContact NE1-O 2.87Å; W951-V1049 VanDerWaalsContact CZ2-C 3.47Å; W951-P1050 HydrophobicContact CB-CG 3.86Å; W951-P1050 HydrophobicContact CD2-CB 4.28Å; W951-P1050 VanDerWaalsContact CD2-CD 3.49Å; W951-P1050 HydrophobicContact CD2-CG 3.52Å; W951-P1050 HydrophobicContact CE3-CB 3.74Å; W951-P1050 HydrophobicContact CE3-CG 3.45Å; W951-P1050 VanDerWaalsContact CE3-CG 3.45Å; W951-P1050 HydrophobicContact CG-CG 3.71Å; W951-P1050 HydrophobicContact CZ3-CB 4.07Å; W951-P1050 HydrophobicContact CZ3-CG 4.22Å
952	T	96.8	Very high	94.5	Very high	16 Å²	16	65.5 Å²	65.5	10%	0.098	30%	0.304	C	S	.	.			trans	-136.7	173.6	-179.4	65.8	0	0	0	0	110.4	A941 R943 W954 D955	A941-T952 HydrophobicContact CB-CG2 4.12Å; R943-T952 HydrophobicContact CG-CG2 3.91Å; T952-W954 PolarHBondContact O-N 3.31Å; T952-W954 PolarHBondContact OG1-N 3.15Å; T952-D955 PolarHBondContact N-OD2 2.88Å; T952-D955 WeakPolarHBondContact O-CB 3.42Å; T952-D955 PolarHBondContact O-N 3.37Å; T952-D955 PolarHBondContact OG1-OD2 3.39Å
953	L	95.8	Very high	94.2	Very high	37 Å²	37	65.3 Å²	65.3	19%	0.194	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-19.2	175.4	77.5	90.7	0	0	0	114.9	V589 A941	V589-L953 HydrophobicContact CB-CD1 4.37Å; V589-L953 HydrophobicContact CG1-CD1 3.67Å; V589-L953 HydrophobicContact CG2-CD1 3.73Å; A941-L953 HydrophobicContact CB-CD2 4.48Å
954	W	97.4	Very high	93.8	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-18.1	-179.3	-62.6	104.5	0	0	0	114.1	V589 R592 V610 P612 F613 T615 T952	V589-W954 HydrophobicContact CB-CZ3 4.29Å; V589-W954 HydrophobicContact CG1-CE3 4.46Å; V589-W954 HydrophobicContact CG2-CH2 4.01Å; V589-W954 HydrophobicContact CG2-CZ2 4.49Å; V589-W954 HydrophobicContact CG2-CZ3 4.11Å; R592-W954 HydrophobicContact CG-CE3 4.49Å; R592-W954 PolarHBondContact NE-O 2.85Å; V610-W954 HydrophobicContact CG1-CH2 3.71Å; V610-W954 HydrophobicContact CG1-CZ2 3.62Å; P612-W954 HydrophobicContact CB-CD2 4.3Å; P612-W954 HydrophobicContact CB-CE3 3.87Å; P612-W954 HydrophobicContact CB-CH2 4.25Å; P612-W954 HydrophobicContact CB-CZ3 3.81Å; P612-W954 HydrophobicContact CG-CE3 4.39Å; P612-W954 HydrophobicContact CG-CH2 4.04Å; P612-W954 HydrophobicContact CG-CZ3 3.82Å; F613-W954 HydrophobicContact CD1-CB 3.49Å; F613-W954 VanDerWaalsContact CD1-CB 3.49Å; F613-W954 HydrophobicContact CD1-CG 4.37Å; F613-W954 HydrophobicContact CE1-CB 3.79Å; F613-W954 HydrophobicContact CG-CB 4.06Å; F613-W954 VanDerWaalsContact N-CD1 3.26Å; T615-W954 PolarHBondContact O-NE1 3.07Å; T952-W954 PolarHBondContact O-N 3.31Å; T952-W954 PolarHBondContact OG1-N 3.15Å
955	D	97.4	Very high	93.4	Very high	48 Å²	48	63.7 Å²	63.7	26%	0.257	32%	0.317	S	S	.	.			trans	-81.6	150.3	179.4	-60.9	-57	0	0	0	110.5	W951 T952 P1050	W951-D955 WeakPolarHBondContact CA-OD2 3.39Å; W951-D955 HydrophobicContact CB-CB 4.08Å; T952-D955 PolarHBondContact N-OD2 2.88Å; T952-D955 WeakPolarHBondContact O-CB 3.42Å; T952-D955 PolarHBondContact O-N 3.37Å; T952-D955 PolarHBondContact OG1-OD2 3.39Å; D955-P1050 HydrophobicContact CB-CG 4.4Å
956	R	96.9	Very high	93.1	Very high	20 Å²	20	60.7 Å²	60.7	8%	0.075	32%	0.32	C	S	.	.			trans	-157.7	155.9	178.7	81.6	-171	77.7	-175.1	2.8	109.9	V589 Y590 E958 Y1051 R1053	V589-R956 PolarHBondContact O-NH2 2.75Å; Y590-R956 PolarHBondContact O-NH1 2.9Å; Y590-R956 PolarHBondContact O-NH2 2.86Å; R956-E958 WeakPolarHBondContact CD-OE1 3.29Å; R956-E958 HydrophobicContact CG-CG 4.41Å; R956-E958 IonicContact NE-OE1 3.97Å; R956-Y1051 CarbonylContact C-O 3.59Å; R956-Y1051 WeakPolarHBondContact CA-O 3.48Å; R956-Y1051 HydrophobicContact CB-CD1 4.3Å; R956-Y1051 HydrophobicContact CB-CD2 4.1Å; R956-Y1051 HydrophobicContact CB-CE1 3.93Å; R956-Y1051 HydrophobicContact CB-CE2 3.73Å; R956-Y1051 HydrophobicContact CB-CG 4.39Å; R956-Y1051 WeakPolarHBondContact CB-O 3.45Å; R956-Y1051 HydrophobicContact CG-CE2 4.42Å; R956-Y1051 PolarHBondContact NE-OH 3.21Å; R956-Y1051 VanDerWaalsContact NE-OH 3.13Å; R956-Y1051 PolarHBondContact NH1-OH 3.19Å; R956-Y1051 PolarHBondContact NH2-OH 2.72Å; R956-R1053 HydrophobicContact CG-CB 4.3Å
957	F	97.6	Very high	93.1	Very high	15 Å²	15	66.4 Å²	66.4	7%	0.066	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	126.4	166.2	-62.8	-71.9	0	0	0	110.6	Y946 F978 H982 L984 V1049 P1050 Y1051 V1052 R1053	Y946-F957 HydrophobicContact CE1-CZ 4.46Å; Y946-F957 AromaticContact CZ-CZ 3.98Å; Y946-F957 WeakPolarHBondContact OH-CZ 3.34Å; F957-F978 HydrophobicContact CB-CE1 4.28Å; F957-F978 HydrophobicContact CB-CZ 3.99Å; F957-F978 HydrophobicContact CD1-CE1 4.13Å; F957-F978 AromaticContact CD2-CE1 3.63Å; F957-F978 HydrophobicContact CD2-CE1 3.63Å; F957-F978 HydrophobicContact CD2-CZ 4.06Å; F957-F978 HydrophobicContact CE1-CE1 4.38Å; F957-F978 AromaticContact CE2-CE1 3.89Å; F957-F978 HydrophobicContact CE2-CE1 3.89Å; F957-F978 AromaticContact CG-CE1 3.75Å; F957-F978 HydrophobicContact CG-CE1 3.75Å; F957-F978 AromaticContact CG-CZ 3.97Å; F957-F978 HydrophobicContact CG-CZ 3.97Å; F957-F978 HydrophobicContact CZ-CE1 4.26Å; F957-H982 AromaticContact CD1-CE1 3.66Å; F957-H982 AromaticContact CD1-ND1 3.94Å; F957-H982 AromaticContact CD1-NE2 3.99Å; F957-H982 AromaticContact CE1-CE1 3.73Å; F957-H982 AromaticContact CE1-ND1 3.53Å; F957-L984 HydrophobicContact CZ-CD1 4.06Å; F957-V1049 HydrophobicContact CE2-CB 4.13Å; F957-V1049 HydrophobicContact CE2-CG2 4.34Å; F957-P1050 HydrophobicContact CD2-CB 4.13Å; F957-P1050 VanDerWaalsContact CD2-O 3.31Å; F957-P1050 WeakPolarHBondContact CD2-O 3.49Å; F957-P1050 HydrophobicContact CE2-CB 4.04Å; F957-P1050 HydrophobicContact CE2-CG 4.02Å; F957-P1050 WeakPolarHBondContact CE2-O 3.48Å; F957-P1050 HydrophobicContact CZ-CG 4.26Å; F957-Y1051 PolarHBondContact N-O 2.77Å; F957-V1052 HydrophobicContact CB-CB 4.45Å; F957-V1052 HydrophobicContact CB-CG1 4.26Å; F957-V1052 HydrophobicContact CB-CG2 4.16Å; F957-V1052 HydrophobicContact CD2-CG2 4.25Å; F957-V1052 WeakPolarHBondContact O-CA 3.36Å; F957-R1053 PolarHBondContact O-N 3.44Å
958	E	95.8	Very high	93.4	Very high	89 Å²	89	64.7 Å²	64.7	42%	0.416	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	110	173.8	-65	-68.9	178.7	0	0	109.4	R592 R956 R1053	R592-E958 IonicContact NH1-OE1 3.66Å; R956-E958 WeakPolarHBondContact CD-OE1 3.29Å; R956-E958 HydrophobicContact CG-CG 4.41Å; R956-E958 IonicContact NE-OE1 3.97Å; E958-R1053 WeakPolarHBondContact OE2-CD 3.2Å
959	V	96.3	Very high	93.7	Very high	4 Å²	4	57.1 Å²	57.1	2%	0.024	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	123.1	-178.6	179.4	0	0	0	0	109.7	M969 F974 Y977 F978 V1052 R1053 Y1054 T1055	V959-M969 HydrophobicContact CG1-CE 4.45Å; V959-M969 HydrophobicContact CG1-SD 3.9Å; V959-F974 HydrophobicContact CG1-CD2 4.31Å; V959-F974 HydrophobicContact CG1-CE2 4.22Å; V959-F974 HydrophobicContact CG2-CE2 4.47Å; V959-Y977 HydrophobicContact CG2-CD1 4.39Å; V959-Y977 HydrophobicContact CG2-CE1 3.82Å; V959-F978 HydrophobicContact CG2-CE2 4.21Å; V959-F978 HydrophobicContact CG2-CZ 4.29Å; V959-V1052 HydrophobicContact CB-CG1 3.9Å; V959-V1052 HydrophobicContact CG2-CG1 3.49Å; V959-V1052 VanDerWaalsContact CG2-CG1 3.49Å; V959-R1053 PolarHBondContact N-O 3.17Å; V959-Y1054 HydrophobicContact CB-CD2 4.23Å; V959-Y1054 HydrophobicContact CG1-CD2 3.78Å; V959-Y1054 HydrophobicContact CG1-CE2 4.15Å; V959-Y1054 CarbonylContact O-C 3.18Å; V959-Y1054 WeakPolarHBondContact O-CA 3.41Å; V959-T1055 PolarHBondContact O-N 3.49Å
960	K	94.6	Very high	94	Very high	168 Å²	168	54.5 Å²	54.5	73%	0.73	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	117.9	173.8	-65.1	-175	-178.8	-178.1	0	109.4	Q963	K960-Q963 PolarHBondContact O-NE2 2.95Å
961	G	91.7	Very high	94.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.272	C	S	.	.	S	Bend	trans	-68.7	-45.9	179.9	0	0	0	0	0	112.4	Q963 E968 M969 Y1054 T1055	G961-Q963 PolarHBondContact O-N 2.9Å; G961-Q963 PolarHBondContact O-NE2 3.35Å; G961-E968 CarbonylContact O-C 3.58Å; G961-E968 WeakPolarHBondContact O-CA 3.35Å; G961-M969 WeakPolarHBondContact O-CB 3.39Å; G961-M969 PolarHBondContact O-N 3.45Å; G961-Y1054 WeakPolarHBondContact CA-OH 3.45Å; G961-T1055 VanDerWaalsContact CA-O 3.31Å; G961-T1055 WeakPolarHBondContact CA-O 3.21Å; G961-T1055 PolarHBondContact N-O 3.35Å
962	L	92.7	Very high	94.1	Very high	78 Å²	78	54.3 Å²	54.3	41%	0.408	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-72.5	122.9	173.4	-72.3	171.3	0	0	0	111.2	I1056	L962-I1056 WeakPolarHBondContact CG-O 3.3Å
963	Q	88.6	Confident	94.1	Very high	60 Å²	60	57.2 Å²	57.2	28%	0.28	30%	0.3	S	S	.	.			trans	-81.7	167.8	174.3	-58.5	-58.8	-70	0	0	110.6	K960 G961 N965 G966 E967 M969	K960-Q963 PolarHBondContact O-NE2 2.95Å; G961-Q963 PolarHBondContact O-N 2.9Å; G961-Q963 PolarHBondContact O-NE2 3.35Å; Q963-N965 WeakPolarHBondContact CB-OD1 3.18Å; Q963-N965 PolarHBondContact O-N 2.92Å; Q963-N965 VanDerWaalsContact O-N 3.13Å; Q963-G966 PolarHBondContact O-N 3.16Å; Q963-E967 WeakPolarHBondContact CB-O 3.09Å; Q963-E967 PolarHBondContact N-O 3.2Å; Q963-M969 HydrophobicContact CG-CB 4.34Å
964	S	86.2	Confident	94.2	Very high	139 Å²	139	55.4 Å²	55.4	97%	0.972	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-21.7	-179.4	53.9	0	0	0	0	114.2	G966	S964-G966 VanDerWaalsContact C-N 3.29Å
965	N	88	Confident	94.1	Very high	98 Å²	98	56.5 Å²	56.5	52%	0.524	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-1.9	175.2	70.1	-10.8	0	0	0	113.6	Q963 E967	Q963-N965 WeakPolarHBondContact CB-OD1 3.18Å; Q963-N965 PolarHBondContact O-N 2.92Å; Q963-N965 VanDerWaalsContact O-N 3.13Å; N965-E967 VanDerWaalsContact C-N 3.31Å; N965-E967 PolarHBondContact ND2-OE2 2.86Å; N965-E967 WeakPolarHBondContact OD1-CB 3.34Å; N965-E967 PolarHBondContact OD1-N 3.36Å
966	G	86.6	Confident	94.1	Very high	57 Å²	57	57.7 Å²	57.7	59%	0.588	30%	0.302	S	S	*	.	S	Bend	trans	82.6	0.1	-178	0	0	0	0	0	114.9	Q963 S964	Q963-G966 PolarHBondContact O-N 3.16Å; S964-G966 VanDerWaalsContact C-N 3.29Å
967	E	92.1	Very high	94.1	Very high	130 Å²	130	59.9 Å²	59.9	61%	0.607	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-89.8	153.1	173.8	-61.6	-179.6	156.5	0	0	110.9	Q963 N965	Q963-E967 WeakPolarHBondContact CB-O 3.09Å; Q963-E967 PolarHBondContact N-O 3.2Å; N965-E967 VanDerWaalsContact C-N 3.31Å; N965-E967 PolarHBondContact ND2-OE2 2.86Å; N965-E967 WeakPolarHBondContact OD1-CB 3.34Å; N965-E967 PolarHBondContact OD1-N 3.36Å
968	E	94.8	Very high	94.1	Very high	39 Å²	39	59.2 Å²	59.2	18%	0.182	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-78.9	140.4	175.6	-174.1	-176.1	152.4	0	0	110.8	G961 T970 P1013 M1014 T1015 Y1054	G961-E968 CarbonylContact O-C 3.58Å; G961-E968 WeakPolarHBondContact O-CA 3.35Å; E968-T970 PolarHBondContact O-N 2.78Å; E968-P1013 HydrophobicContact CB-CB 4.11Å; E968-P1013 HydrophobicContact CG-CB 4.1Å; E968-M1014 PolarHBondContact OE1-N 3.06Å; E968-T1015 VanDerWaalsContact OE1-CB 3.29Å; E968-T1015 WeakPolarHBondContact OE1-CB 3.23Å; E968-T1015 WeakPolarHBondContact OE1-CG2 3.48Å; E968-T1015 PolarHBondContact OE1-N 3.21Å; E968-T1015 PolarHBondContact OE1-OG1 2.96Å; E968-T1015 PolarHBondContact OE2-OG1 3.02Å; E968-Y1054 WeakPolarHBondContact CG-OH 3.39Å; E968-Y1054 PolarHBondContact OE1-OH 2.98Å
969	M	96.2	Very high	94.1	Very high	9 Å²	9	59.4 Å²	59.4	4%	0.044	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-55.4	128.7	176.8	-172.2	179.4	-108.7	0	0	110.8	V959 G961 Q963 Q973 F974 Y977 M1014 Y1054	V959-M969 HydrophobicContact CG1-CE 4.45Å; V959-M969 HydrophobicContact CG1-SD 3.9Å; G961-M969 WeakPolarHBondContact O-CB 3.39Å; G961-M969 PolarHBondContact O-N 3.45Å; Q963-M969 HydrophobicContact CG-CB 4.34Å; M969-Q973 HydrophobicContact CG-CB 3.7Å; M969-F974 HydrophobicContact CG-CB 4.35Å; M969-F974 HydrophobicContact SD-CB 3.98Å; M969-F974 HydrophobicContact SD-CD2 3.89Å; M969-F974 HydrophobicContact SD-CG 4.41Å; M969-Y977 HydrophobicContact CE-CG 4.3Å; M969-M1014 WeakPolarHBondContact O-CG 3.47Å; M969-M1014 PolarHBondContact O-N 2.72Å; M969-Y1054 HydrophobicContact CB-CE2 4.22Å; M969-Y1054 HydrophobicContact SD-CE2 4.31Å
970	T	97.2	Very high	94	Very high	26 Å²	26	63.5 Å²	63.5	16%	0.16	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-82.3	163.5	174.6	66.7	0	0	0	0	111.7	E968 R972 Q973 F974 L1012	E968-T970 PolarHBondContact O-N 2.78Å; T970-R972 VanDerWaalsContact C-N 3.26Å; T970-R972 PolarHBondContact O-N 3.21Å; T970-Q973 PolarHBondContact O-N 3.02Å; T970-Q973 WeakPolarHBondContact OG1-CG 3.36Å; T970-Q973 PolarHBondContact OG1-N 3.23Å; T970-Q973 PolarHBondContact OG1-OE1 2.92Å; T970-F974 WeakPolarHBondContact O-CB 3.46Å; T970-F974 PolarHBondContact O-N 2.85Å; T970-L1012 VanDerWaalsContact CA-O 3.27Å; T970-L1012 WeakPolarHBondContact CA-O 3.27Å
971	L	96.8	Very high	94	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-56.2	-40.9	174.2	174.3	63.9	0	0	0	112.1	F974 L975 L989 Y997 R1009 L1010 L1012 M1014 I1017	L971-F974 WeakPolarHBondContact O-CB 3.29Å; L971-F974 PolarHBondContact O-N 2.86Å; L971-L975 HydrophobicContact CD1-CD1 4.23Å; L971-L975 HydrophobicContact CD1-CD2 4.3Å; L971-L975 HydrophobicContact CD1-CG 4.04Å; L971-L975 HydrophobicContact CG-CD1 4.12Å; L971-L975 HydrophobicContact CG-CG 4.35Å; L971-L975 VanDerWaalsContact O-CG 3.29Å; L971-L975 WeakPolarHBondContact O-CG 3.5Å; L971-L975 PolarHBondContact O-N 2.7Å; L971-L989 HydrophobicContact CD1-CD2 3.6Å; L971-Y997 HydrophobicContact CD2-CD2 4.3Å; L971-R1009 HydrophobicContact CD2-CB 3.93Å; L971-L1010 HydrophobicContact CD2-CD2 4.46Å; L971-L1010 HydrophobicContact CG-CD2 4.47Å; L971-L1010 PolarHBondContact N-O 3.14Å; L971-L1012 PolarHBondContact N-O 3.12Å; L971-L1012 VanDerWaalsContact N-O 3.09Å; L971-M1014 HydrophobicContact CB-SD 4.17Å; L971-M1014 HydrophobicContact CD1-SD 4.16Å; L971-I1017 HydrophobicContact CB-CD1 3.49Å; L971-I1017 VanDerWaalsContact CB-CD1 3.49Å; L971-I1017 HydrophobicContact CD2-CD1 4.08Å; L971-I1017 HydrophobicContact CG-CD1 4.3Å
972	R	96.4	Very high	94.2	Very high	108 Å²	108	64.1 Å²	64.1	41%	0.408	34%	0.335	S	S	.	.	H	α-helix	trans	-58.7	-50.5	176.8	-175.2	-170	-57.6	-102.3	1.3	111.1	T970 F974 L975 D976 L1010 D1011	T970-R972 VanDerWaalsContact C-N 3.26Å; T970-R972 PolarHBondContact O-N 3.21Å; R972-F974 VanDerWaalsContact C-N 3.26Å; R972-F974 PolarHBondContact O-N 3.06Å; R972-L975 PolarHBondContact O-N 3.05Å; R972-D976 WeakPolarHBondContact O-CB 3.15Å; R972-D976 VanDerWaalsContact O-CG 3.25Å; R972-D976 PolarHBondContact O-N 3.09Å; R972-L1010 HydrophobicContact CB-CB 4.4Å; R972-L1010 HydrophobicContact CB-CD2 4.33Å; R972-L1010 WeakPolarHBondContact CB-O 3.18Å; R972-L1010 PolarHBondContact N-O 2.91Å; R972-D1011 IonicContact CZ-OD1 2.65Å; R972-D1011 VanDerWaalsContact CZ-OD1 3.28Å; R972-D1011 IonicContact NE-OD1 3.53Å; R972-D1011 PolarHBondContact NE-OD1 3.46Å; R972-D1011 IonicContact NH2-OD1 3.92Å; R972-D1011 PolarHBondContact NH2-OD1 2.71Å; R972-D1011 IonicContact NH2-OD2 2.87Å; R972-D1011 PolarHBondContact NH2-OD2 3.12Å
973	Q	96.4	Very high	94.3	Very high	76 Å²	76	65.5 Å²	65.5	36%	0.355	34%	0.337	S	S	.	.	H	α-helix	trans	-61.8	-35.9	178.1	-71.3	168.9	-27.9	0	0	111.9	M969 T970 Y977	M969-Q973 HydrophobicContact CG-CB 3.7Å; T970-Q973 PolarHBondContact O-N 3.02Å; T970-Q973 WeakPolarHBondContact OG1-CG 3.36Å; T970-Q973 PolarHBondContact OG1-N 3.23Å; T970-Q973 PolarHBondContact OG1-OE1 2.92Å; Q973-Y977 WeakPolarHBondContact O-CB 3.28Å; Q973-Y977 PolarHBondContact O-N 3.27Å
974	F	97.6	Very high	94.7	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-65	-47.8	175.6	-172.8	-86	0	0	0	111.8	V959 M969 T970 L971 R972 Y977 F978 I986 L989 M1014 F1035 L1037 V1052 Y1054	V959-F974 HydrophobicContact CG1-CD2 4.31Å; V959-F974 HydrophobicContact CG1-CE2 4.22Å; V959-F974 HydrophobicContact CG2-CE2 4.47Å; M969-F974 HydrophobicContact CG-CB 4.35Å; M969-F974 HydrophobicContact SD-CB 3.98Å; M969-F974 HydrophobicContact SD-CD2 3.89Å; M969-F974 HydrophobicContact SD-CG 4.41Å; T970-F974 WeakPolarHBondContact O-CB 3.46Å; T970-F974 PolarHBondContact O-N 2.85Å; L971-F974 WeakPolarHBondContact O-CB 3.29Å; L971-F974 PolarHBondContact O-N 2.86Å; R972-F974 VanDerWaalsContact C-N 3.26Å; R972-F974 PolarHBondContact O-N 3.06Å; F974-Y977 WeakPolarHBondContact O-CB 3.45Å; F974-Y977 PolarHBondContact O-N 3.19Å; F974-F978 HydrophobicContact CD1-CD2 4.17Å; F974-F978 HydrophobicContact CD1-CE2 4.31Å; F974-F978 HydrophobicContact CD2-CE2 4.49Å; F974-F978 AromaticContact CE1-CD2 3.85Å; F974-F978 HydrophobicContact CE1-CD2 3.85Å; F974-F978 AromaticContact CE1-CE2 3.68Å; F974-F978 HydrophobicContact CE1-CE2 3.68Å; F974-F978 AromaticContact CE2-CE2 3.89Å; F974-F978 HydrophobicContact CE2-CE2 3.89Å; F974-F978 HydrophobicContact CZ-CD2 4.11Å; F974-F978 AromaticContact CZ-CE2 3.45Å; F974-F978 HydrophobicContact CZ-CE2 3.45Å; F974-F978 VanDerWaalsContact CZ-CE2 3.45Å; F974-F978 HydrophobicContact CZ-CZ 4.29Å; F974-F978 WeakPolarHBondContact O-CD2 3.27Å; F974-F978 PolarHBondContact O-N 2.83Å; F974-I986 HydrophobicContact CD1-CD1 3.93Å; F974-I986 HydrophobicContact CE1-CD1 3.65Å; F974-L989 HydrophobicContact CD1-CD2 4.22Å; F974-L989 HydrophobicContact CE1-CD1 3.93Å; F974-L989 HydrophobicContact CE1-CD2 4.14Å; F974-L989 HydrophobicContact CZ-CD1 4.31Å; F974-M1014 HydrophobicContact CB-SD 4.02Å; F974-M1014 HydrophobicContact CD1-CE 4.31Å; F974-M1014 HydrophobicContact CD2-CE 4.08Å; F974-M1014 HydrophobicContact CD2-SD 4.42Å; F974-M1014 HydrophobicContact CE2-CE 4.32Å; F974-M1014 HydrophobicContact CG-CE 4.07Å; F974-M1014 HydrophobicContact CG-SD 4.17Å; F974-F1035 HydrophobicContact CE2-CD2 4.03Å; F974-F1035 HydrophobicContact CE2-CE2 4.36Å; F974-F1035 AromaticContact CZ-CD2 3.98Å; F974-F1035 HydrophobicContact CZ-CD2 3.98Å; F974-L1037 HydrophobicContact CE1-CD2 4.15Å; F974-L1037 HydrophobicContact CZ-CD2 4.5Å; F974-V1052 HydrophobicContact CE2-CG1 4.16Å; F974-V1052 HydrophobicContact CZ-CB 4.46Å; F974-V1052 HydrophobicContact CZ-CG1 4.15Å; F974-V1052 HydrophobicContact CZ-CG2 4.13Å; F974-Y1054 HydrophobicContact CD2-CD2 4.29Å; F974-Y1054 HydrophobicContact CD2-CE2 4.39Å; F974-Y1054 HydrophobicContact CE2-CD2 4.14Å
975	L	97.3	Very high	95.2	Very high	23 Å²	23	60.2 Å²	60.2	12%	0.12	30%	0.297	C	S	.	.	H	α-helix	trans	-62.1	-45	176.2	-63.1	174.4	0	0	0	111.2	L971 R972 Y977 F978 K979 I986 Y997 L1010	L971-L975 HydrophobicContact CD1-CD1 4.23Å; L971-L975 HydrophobicContact CD1-CD2 4.3Å; L971-L975 HydrophobicContact CD1-CG 4.04Å; L971-L975 HydrophobicContact CG-CD1 4.12Å; L971-L975 HydrophobicContact CG-CG 4.35Å; L971-L975 VanDerWaalsContact O-CG 3.29Å; L971-L975 WeakPolarHBondContact O-CG 3.5Å; L971-L975 PolarHBondContact O-N 2.7Å; R972-L975 PolarHBondContact O-N 3.05Å; L975-Y977 VanDerWaalsContact C-N 3.32Å; L975-Y977 PolarHBondContact O-N 2.89Å; L975-F978 PolarHBondContact O-N 2.7Å; L975-K979 WeakPolarHBondContact O-CB 3.2Å; L975-K979 PolarHBondContact O-N 3.25Å; L975-I986 HydrophobicContact CD2-CB 3.73Å; L975-I986 HydrophobicContact CD2-CD1 4.01Å; L975-I986 HydrophobicContact CD2-CG1 4.43Å; L975-I986 HydrophobicContact CD2-CG2 3.86Å; L975-Y997 HydrophobicContact CD1-CD2 4.13Å; L975-Y997 HydrophobicContact CD1-CE1 4.35Å; L975-Y997 HydrophobicContact CD1-CE2 3.89Å; L975-Y997 HydrophobicContact CD1-CG 4.46Å; L975-Y997 HydrophobicContact CD2-CD1 3.86Å; L975-Y997 HydrophobicContact CD2-CE1 3.8Å; L975-Y997 HydrophobicContact CD2-CG 4.38Å; L975-L1010 HydrophobicContact CD1-CD2 3.96Å
976	D	96.9	Very high	95.6	Very high	72 Å²	72	55.8 Å²	55.8	39%	0.385	27%	0.274	S	S	.	.	H	α-helix	trans	-64	-36.2	177.7	-70.3	-22.1	0	0	0	111.8	R972 K979 N980	R972-D976 WeakPolarHBondContact O-CB 3.15Å; R972-D976 VanDerWaalsContact O-CG 3.25Å; R972-D976 PolarHBondContact O-N 3.09Å; D976-K979 PolarHBondContact O-N 3.39Å; D976-N980 WeakPolarHBondContact O-CB 3.44Å; D976-N980 PolarHBondContact O-N 3.13Å; D976-N980 PolarHBondContact O-ND2 3.3Å
977	Y	96.4	Very high	96.1	Very high	67 Å²	67	54 Å²	54	26%	0.263	25%	0.251	S	S	.	.	H	α-helix	trans	-60.4	-49.7	176.1	170.8	-98.8	0	0	0	111.5	V959 M969 Q973 F974 L975 K979 N980 E981 H982	V959-Y977 HydrophobicContact CG2-CD1 4.39Å; V959-Y977 HydrophobicContact CG2-CE1 3.82Å; M969-Y977 HydrophobicContact CE-CG 4.3Å; Q973-Y977 WeakPolarHBondContact O-CB 3.28Å; Q973-Y977 PolarHBondContact O-N 3.27Å; F974-Y977 WeakPolarHBondContact O-CB 3.45Å; F974-Y977 PolarHBondContact O-N 3.19Å; L975-Y977 VanDerWaalsContact C-N 3.32Å; L975-Y977 PolarHBondContact O-N 2.89Å; Y977-K979 PolarHBondContact O-N 3.39Å; Y977-N980 PolarHBondContact O-N 3.47Å; Y977-E981 HydrophobicContact CD2-CB 4.26Å; Y977-E981 HydrophobicContact CD2-CG 3.66Å; Y977-E981 HydrophobicContact CE2-CB 4.1Å; Y977-E981 HydrophobicContact CE2-CG 3.75Å; Y977-E981 HydrophobicContact CG-CG 4.48Å; Y977-E981 VanDerWaalsContact O-CB 3.25Å; Y977-E981 WeakPolarHBondContact O-CB 3.33Å; Y977-E981 PolarHBondContact O-N 2.97Å; Y977-H982 AromaticContact CE1-CD2 3.52Å; Y977-H982 AromaticContact CE1-NE2 3.33Å; Y977-H982 VanDerWaalsContact CE1-NE2 3.33Å; Y977-H982 WeakPolarHBondContact CE1-NE2 3.3Å; Y977-H982 AromaticContact CZ-CD2 3.88Å; Y977-H982 AromaticContact CZ-NE2 3.36Å; Y977-H982 PolarHBondContact OH-NE2 2.83Å
978	F	97	Very high	96.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.6	-39.7	177.4	-83.5	-89.8	0	0	0	112.2	F957 V959 F974 L975 H982 K983 L984 I986 L1037 V1052	F957-F978 HydrophobicContact CB-CE1 4.28Å; F957-F978 HydrophobicContact CB-CZ 3.99Å; F957-F978 HydrophobicContact CD1-CE1 4.13Å; F957-F978 AromaticContact CD2-CE1 3.63Å; F957-F978 HydrophobicContact CD2-CE1 3.63Å; F957-F978 HydrophobicContact CD2-CZ 4.06Å; F957-F978 HydrophobicContact CE1-CE1 4.38Å; F957-F978 AromaticContact CE2-CE1 3.89Å; F957-F978 HydrophobicContact CE2-CE1 3.89Å; F957-F978 AromaticContact CG-CE1 3.75Å; F957-F978 HydrophobicContact CG-CE1 3.75Å; F957-F978 AromaticContact CG-CZ 3.97Å; F957-F978 HydrophobicContact CG-CZ 3.97Å; F957-F978 HydrophobicContact CZ-CE1 4.26Å; V959-F978 HydrophobicContact CG2-CE2 4.21Å; V959-F978 HydrophobicContact CG2-CZ 4.29Å; F974-F978 HydrophobicContact CD1-CD2 4.17Å; F974-F978 HydrophobicContact CD1-CE2 4.31Å; F974-F978 HydrophobicContact CD2-CE2 4.49Å; F974-F978 AromaticContact CE1-CD2 3.85Å; F974-F978 HydrophobicContact CE1-CD2 3.85Å; F974-F978 AromaticContact CE1-CE2 3.68Å; F974-F978 HydrophobicContact CE1-CE2 3.68Å; F974-F978 AromaticContact CE2-CE2 3.89Å; F974-F978 HydrophobicContact CE2-CE2 3.89Å; F974-F978 HydrophobicContact CZ-CD2 4.11Å; F974-F978 AromaticContact CZ-CE2 3.45Å; F974-F978 HydrophobicContact CZ-CE2 3.45Å; F974-F978 VanDerWaalsContact CZ-CE2 3.45Å; F974-F978 HydrophobicContact CZ-CZ 4.29Å; F974-F978 WeakPolarHBondContact O-CD2 3.27Å; F974-F978 PolarHBondContact O-N 2.83Å; L975-F978 PolarHBondContact O-N 2.7Å; F978-H982 HydrophobicContact CD1-CB 4.24Å; F978-H982 AromaticContact CD1-CD2 3.96Å; F978-H982 CarbonylContact O-C 3.4Å; F978-H982 WeakPolarHBondContact O-CA 3.23Å; F978-H982 WeakPolarHBondContact O-CB 3.49Å; F978-H982 PolarHBondContact O-N 3.49Å; F978-H982 VanDerWaalsContact O-N 3.15Å; F978-K983 PolarHBondContact O-N 3.02Å; F978-L984 CarbonylContact C-O 3.33Å; F978-L984 HydrophobicContact CD1-CD1 4.41Å; F978-L984 PolarHBondContact O-N 3.08Å; F978-I986 HydrophobicContact CB-CD1 3.7Å; F978-I986 HydrophobicContact CB-CG1 3.99Å; F978-I986 HydrophobicContact CD1-CD1 4.42Å; F978-I986 HydrophobicContact CD2-CD1 3.6Å; F978-I986 HydrophobicContact CE2-CD1 4.39Å; F978-I986 HydrophobicContact CG-CD1 3.64Å; F978-I986 HydrophobicContact CG-CG1 4.22Å; F978-L1037 HydrophobicContact CD1-CD1 4.09Å; F978-L1037 HydrophobicContact CE1-CD1 3.62Å; F978-L1037 HydrophobicContact CE2-CD1 4.4Å; F978-L1037 HydrophobicContact CZ-CD1 3.81Å; F978-V1052 HydrophobicContact CE1-CG2 4.35Å; F978-V1052 HydrophobicContact CE2-CG2 4.19Å; F978-V1052 HydrophobicContact CZ-CG1 4.38Å; F978-V1052 HydrophobicContact CZ-CG2 3.54Å
979	K	95.6	Very high	96.4	Very high	94 Å²	94	48.5 Å²	48.5	41%	0.409	23%	0.226	S	C	.	.	H	α-helix	trans	-65.3	-42.7	177.9	-171	165.7	-170.7	148.4	0	112.6	L975 D976 Y977 K983 L984 E985	L975-K979 WeakPolarHBondContact O-CB 3.2Å; L975-K979 PolarHBondContact O-N 3.25Å; D976-K979 PolarHBondContact O-N 3.39Å; Y977-K979 PolarHBondContact O-N 3.39Å; K979-K983 WeakPolarHBondContact O-CA 3.46Å; K979-L984 WeakPolarHBondContact CA-O 3.36Å; K979-L984 PolarHBondContact N-O 3.42Å; K979-L984 VanDerWaalsContact N-O 3.17Å; K979-E985 IonicContact NZ-OE1 2.87Å; K979-E985 PolarHBondContact NZ-OE1 3.35Å; K979-E985 IonicContact NZ-OE2 2.81Å
980	N	95.8	Very high	96.4	Very high	90 Å²	90	49.1 Å²	49.1	48%	0.481	23%	0.232	S	C	.	.	H	α-helix	trans	-87.1	-43.5	-172.8	-65.3	-34.5	0	0	0	112.8	D976 Y977 K983	D976-N980 WeakPolarHBondContact O-CB 3.44Å; D976-N980 PolarHBondContact O-N 3.13Å; D976-N980 PolarHBondContact O-ND2 3.3Å; Y977-N980 PolarHBondContact O-N 3.47Å; N980-K983 WeakPolarHBondContact O-CE 3.44Å; N980-K983 PolarHBondContact O-NZ 3.43Å
981	E	94.6	Very high	96.3	Very high	135 Å²	135	50.5 Å²	50.5	63%	0.631	24%	0.236	S	C	*	.	H	α-helix	trans	-88.6	-45.1	-174.8	-57.1	-58.3	141.8	0	0	111.7	Y977	Y977-E981 HydrophobicContact CD2-CB 4.26Å; Y977-E981 HydrophobicContact CD2-CG 3.66Å; Y977-E981 HydrophobicContact CE2-CB 4.1Å; Y977-E981 HydrophobicContact CE2-CG 3.75Å; Y977-E981 HydrophobicContact CG-CG 4.48Å; Y977-E981 VanDerWaalsContact O-CB 3.25Å; Y977-E981 WeakPolarHBondContact O-CB 3.33Å; Y977-E981 PolarHBondContact O-N 2.97Å
982	H	94.6	Very high	95.9	Very high	45 Å²	45	53.1 Å²	53.1	21%	0.208	26%	0.263	C	S	.	.	S	Bend	trans	-96.9	-7.1	-176.2	-63.9	-72.8	0	0	0	113.8	F957 Y977 F978 L984	F957-H982 AromaticContact CD1-CE1 3.66Å; F957-H982 AromaticContact CD1-ND1 3.94Å; F957-H982 AromaticContact CD1-NE2 3.99Å; F957-H982 AromaticContact CE1-CE1 3.73Å; F957-H982 AromaticContact CE1-ND1 3.53Å; Y977-H982 AromaticContact CE1-CD2 3.52Å; Y977-H982 AromaticContact CE1-NE2 3.33Å; Y977-H982 VanDerWaalsContact CE1-NE2 3.33Å; Y977-H982 WeakPolarHBondContact CE1-NE2 3.3Å; Y977-H982 AromaticContact CZ-CD2 3.88Å; Y977-H982 AromaticContact CZ-NE2 3.36Å; Y977-H982 PolarHBondContact OH-NE2 2.83Å; F978-H982 HydrophobicContact CD1-CB 4.24Å; F978-H982 AromaticContact CD1-CD2 3.96Å; F978-H982 CarbonylContact O-C 3.4Å; F978-H982 WeakPolarHBondContact O-CA 3.23Å; F978-H982 WeakPolarHBondContact O-CB 3.49Å; F978-H982 PolarHBondContact O-N 3.49Å; F978-H982 VanDerWaalsContact O-N 3.15Å; H982-L984 HydrophobicContact CB-CB 4.47Å; H982-L984 HydrophobicContact CB-CD1 4.08Å; H982-L984 HydrophobicContact CB-CG 4.24Å; H982-L984 PolarHBondContact O-N 3.46Å
983	K	96.2	Very high	95.6	Very high	107 Å²	107	54.3 Å²	54.3	47%	0.465	28%	0.282	S	S	.	.			trans	57	32.1	-174.2	-48.3	-53.5	-178.2	-167.4	0	112.4	Y947 F978 K979 N980 L1042	Y947-K983 HydrophobicContact CE2-CB 4.36Å; Y947-K983 PolarHBondContact OH-O 3.04Å; F978-K983 PolarHBondContact O-N 3.02Å; K979-K983 WeakPolarHBondContact O-CA 3.46Å; N980-K983 WeakPolarHBondContact O-CE 3.44Å; N980-K983 PolarHBondContact O-NZ 3.43Å; K983-L1042 HydrophobicContact CB-CD1 4.26Å; K983-L1042 HydrophobicContact CB-CD2 4.21Å; K983-L1042 HydrophobicContact CB-CG 4.18Å
984	L	96.5	Very high	95.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.272	C	S	.	.			trans	-112.6	124.1	179.6	-68.9	170.9	0	0	0	109.9	Y946 Y947 F957 F978 K979 H982 I986 C1039 V1047 V1049	Y946-L984 HydrophobicContact CD2-CD1 4.27Å; Y946-L984 HydrophobicContact CD2-CD2 4.01Å; Y946-L984 HydrophobicContact CE2-CD1 3.98Å; Y946-L984 HydrophobicContact CE2-CD2 4.45Å; Y946-L984 HydrophobicContact CE2-CG 4.47Å; Y947-L984 HydrophobicContact CE2-CD2 3.89Å; F957-L984 HydrophobicContact CZ-CD1 4.06Å; F978-L984 CarbonylContact C-O 3.33Å; F978-L984 HydrophobicContact CD1-CD1 4.41Å; F978-L984 PolarHBondContact O-N 3.08Å; K979-L984 WeakPolarHBondContact CA-O 3.36Å; K979-L984 PolarHBondContact N-O 3.42Å; K979-L984 VanDerWaalsContact N-O 3.17Å; H982-L984 HydrophobicContact CB-CB 4.47Å; H982-L984 HydrophobicContact CB-CD1 4.08Å; H982-L984 HydrophobicContact CB-CG 4.24Å; H982-L984 PolarHBondContact O-N 3.46Å; L984-I986 PolarHBondContact O-N 2.65Å; L984-C1039 HydrophobicContact CB-CB 4.21Å; L984-V1047 HydrophobicContact CD2-CG2 4.03Å; L984-V1049 HydrophobicContact CD1-CB 4.45Å; L984-V1049 HydrophobicContact CD1-CG1 3.86Å; L984-V1049 HydrophobicContact CD2-CG1 4.17Å
985	E	96.6	Very high	95.4	Very high	88 Å²	88	55.5 Å²	55.5	41%	0.411	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	102.6	174.4	180	145.7	-136	0	0	109.6	K979 T987 C1039 N1040	K979-E985 IonicContact NZ-OE1 2.87Å; K979-E985 PolarHBondContact NZ-OE1 3.35Å; K979-E985 IonicContact NZ-OE2 2.81Å; E985-T987 PolarHBondContact O-N 3.46Å; E985-C1039 CarbonylContact O-C 3.55Å; E985-C1039 WeakPolarHBondContact O-CA 3.36Å; E985-C1039 WeakPolarHBondContact O-CB 3.26Å; E985-N1040 PolarHBondContact N-O 2.99Å; E985-N1040 PolarHBondContact O-N 3.02Å
986	I	96.8	Very high	95.3	Very high	6 Å²	6	54.4 Å²	54.4	3%	0.031	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	122.4	179.2	-64.7	171.4	0	0	0	109.6	F974 L975 F978 L984 M988 L989 Y997 L1037	F974-I986 HydrophobicContact CD1-CD1 3.93Å; F974-I986 HydrophobicContact CE1-CD1 3.65Å; L975-I986 HydrophobicContact CD2-CB 3.73Å; L975-I986 HydrophobicContact CD2-CD1 4.01Å; L975-I986 HydrophobicContact CD2-CG1 4.43Å; L975-I986 HydrophobicContact CD2-CG2 3.86Å; F978-I986 HydrophobicContact CB-CD1 3.7Å; F978-I986 HydrophobicContact CB-CG1 3.99Å; F978-I986 HydrophobicContact CD1-CD1 4.42Å; F978-I986 HydrophobicContact CD2-CD1 3.6Å; F978-I986 HydrophobicContact CE2-CD1 4.39Å; F978-I986 HydrophobicContact CG-CD1 3.64Å; F978-I986 HydrophobicContact CG-CG1 4.22Å; L984-I986 PolarHBondContact O-N 2.65Å; I986-M988 WeakPolarHBondContact CG2-O 3.31Å; I986-L989 HydrophobicContact CG2-CB 4.18Å; I986-Y997 HydrophobicContact CG2-CD1 4.06Å; I986-Y997 HydrophobicContact CG2-CE1 4.06Å; I986-Y997 VanDerWaalsContact O-CE1 3.31Å; I986-Y997 WeakPolarHBondContact O-CE1 3.49Å; I986-L1037 HydrophobicContact CD1-CD1 4.38Å; I986-L1037 HydrophobicContact CD1-CD2 3.95Å; I986-L1037 HydrophobicContact CG1-CD2 4.36Å; I986-L1037 HydrophobicContact CG2-CD2 4.41Å
987	T	96.1	Very high	95.3	Very high	18 Å²	18	52.5 Å²	52.5	11%	0.11	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-28.6	175.5	57.5	0	0	0	0	111.9	E985 S998 F999 C1038 N1040	E985-T987 PolarHBondContact O-N 3.46Å; T987-S998 CarbonylContact O-C 3.24Å; T987-S998 VanDerWaalsContact O-CA 3.23Å; T987-S998 WeakPolarHBondContact O-CA 3.25Å; T987-F999 PolarHBondContact O-N 3.03Å; T987-C1038 PolarHBondContact N-O 3.33Å; T987-C1038 VanDerWaalsContact OG1-C 3.24Å; T987-C1038 PolarHBondContact OG1-O 3.45Å; T987-C1038 VanDerWaalsContact OG1-O 3.06Å; T987-N1040 HydrophobicContact CG2-CB 4.25Å; T987-N1040 VanDerWaalsContact CG2-OD1 3.27Å; T987-N1040 WeakPolarHBondContact CG2-OD1 3.47Å
988	M	96.9	Very high	95.2	Very high	55 Å²	55	49.4 Å²	49.4	27%	0.271	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	143.2	174.5	-167.1	170.9	61.1	0	0	111.5	I986 M995 Y997 L1037 C1038	I986-M988 WeakPolarHBondContact CG2-O 3.31Å; M988-M995 HydrophobicContact CG-CE 4.42Å; M988-M995 HydrophobicContact CG-CG 4.29Å; M988-M995 HydrophobicContact CG-SD 4.4Å; M988-M995 HydrophobicContact SD-CE 3.5Å; M988-M995 WeakPolarHBondContact SD-CE 3.41Å; M988-M995 HydrophobicContact SD-SD 4.16Å; M988-Y997 WeakPolarHBondContact CA-O 3.35Å; M988-L1037 WeakPolarHBondContact O-CA 3.28Å; M988-C1038 HydrophobicContact CB-CB 3.97Å; M988-C1038 HydrophobicContact CE-CB 4.49Å; M988-C1038 WeakPolarHBondContact CE-SG 3.46Å; M988-C1038 PolarHBondContact N-O 3.24Å; M988-C1038 VanDerWaalsContact N-O 3.07Å; M988-C1038 PolarHBondContact O-N 3.47Å
989	L	97.4	Very high	95	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	127.6	179.5	171.3	67	0	0	0	109.4	L971 F974 I986 L996 Y997 M1014 F1035 E1036 L1037	L971-L989 HydrophobicContact CD1-CD2 3.6Å; F974-L989 HydrophobicContact CD1-CD2 4.22Å; F974-L989 HydrophobicContact CE1-CD1 3.93Å; F974-L989 HydrophobicContact CE1-CD2 4.14Å; F974-L989 HydrophobicContact CZ-CD1 4.31Å; I986-L989 HydrophobicContact CG2-CB 4.18Å; L989-L996 HydrophobicContact CD2-CB 4.31Å; L989-L996 HydrophobicContact CG-CB 4.19Å; L989-L996 HydrophobicContact CG-CD1 4.4Å; L989-L996 PolarHBondContact O-N 2.87Å; L989-Y997 HydrophobicContact CB-CD1 4.26Å; L989-Y997 PolarHBondContact N-O 3.19Å; L989-Y997 PolarHBondContact O-N 2.92Å; L989-M1014 HydrophobicContact CD2-CE 3.72Å; L989-F1035 HydrophobicContact CD1-CB 3.66Å; L989-F1035 HydrophobicContact CD1-CD2 4.45Å; L989-F1035 HydrophobicContact CD1-CG 4.04Å; L989-E1036 WeakPolarHBondContact CA-O 3.41Å; L989-L1037 HydrophobicContact CB-CD2 4.47Å; L989-L1037 HydrophobicContact CD1-CD2 3.36Å; L989-L1037 HydrophobicContact CG-CD2 4.48Å
990	S	96.4	Very high	94.8	Very high	22 Å²	22	58.1 Å²	58.1	15%	0.154	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	158.6	179.8	70.9	0	0	0	0	113.2	S994 F1035 E1036	S990-S994 VanDerWaalsContact CA-O 3.32Å; S990-S994 WeakPolarHBondContact CA-O 3.41Å; S990-S994 WeakPolarHBondContact CB-O 3.34Å; S990-F1035 VanDerWaalsContact O-CA 3.32Å; S990-F1035 WeakPolarHBondContact O-CA 3.39Å; S990-E1036 PolarHBondContact N-O 3.33Å; S990-E1036 PolarHBondContact O-N 2.81Å
991	Q	94.1	Very high	94.7	Very high	54 Å²	54	55.1 Å²	55.1	25%	0.252	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	105.9	171.1	-169.5	-74.5	-52.8	0	0	107.4	V993 S994 L996 V1018 F1035	Q991-V993 PolarHBondContact O-N 3.36Å; Q991-S994 PolarHBondContact N-O 3.2Å; Q991-S994 WeakPolarHBondContact O-CB 3.46Å; Q991-S994 PolarHBondContact O-N 3.4Å; Q991-L996 HydrophobicContact CB-CD1 3.98Å; Q991-L996 HydrophobicContact CB-CD2 4.38Å; Q991-L996 HydrophobicContact CB-CG 4.29Å; Q991-V1018 HydrophobicContact CB-CG2 4.3Å; Q991-V1018 HydrophobicContact CG-CG1 4.3Å; Q991-V1018 HydrophobicContact CG-CG2 4.28Å; Q991-F1035 HydrophobicContact CB-CD1 3.86Å; Q991-F1035 HydrophobicContact CB-CE1 3.98Å; Q991-F1035 HydrophobicContact CG-CD1 4.01Å; Q991-F1035 HydrophobicContact CG-CE1 3.91Å
992	G	89.4	Confident	94.7	Very high	56 Å²	56	52.5 Å²	52.5	58%	0.577	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	-126.1	-168.7	0	0	0	0	0	111.1	S994	G992-S994 PolarHBondContact O-N 2.9Å
993	V	89.6	Confident	94.5	Very high	132 Å²	132	54.2 Å²	54.2	80%	0.8	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-0.5	-179.9	-58	0	0	0	0	114.4	M1 Q991	M1-V993 HydrophobicContact CE-CG1 4.15Å; Q991-V993 PolarHBondContact O-N 3.36Å
994	S	93.4	Very high	94.2	Very high	20 Å²	20	52.4 Å²	52.4	14%	0.14	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	113.4	-173.7	-62.6	0	0	0	0	111.9	S990 Q991 G992 L996	S990-S994 VanDerWaalsContact CA-O 3.32Å; S990-S994 WeakPolarHBondContact CA-O 3.41Å; S990-S994 WeakPolarHBondContact CB-O 3.34Å; Q991-S994 PolarHBondContact N-O 3.2Å; Q991-S994 WeakPolarHBondContact O-CB 3.46Å; Q991-S994 PolarHBondContact O-N 3.4Å; G992-S994 PolarHBondContact O-N 2.9Å; S994-L996 PolarHBondContact O-N 3.3Å
995	M	95.1	Very high	93.9	Very high	81 Å²	81	57.7 Å²	57.7	40%	0.399	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	111.8	174.7	-169.3	-178	-63.8	0	0	111.2	M988 F1000 R1009	M988-M995 HydrophobicContact CG-CE 4.42Å; M988-M995 HydrophobicContact CG-CG 4.29Å; M988-M995 HydrophobicContact CG-SD 4.4Å; M988-M995 HydrophobicContact SD-CE 3.5Å; M988-M995 WeakPolarHBondContact SD-CE 3.41Å; M988-M995 HydrophobicContact SD-SD 4.16Å; M995-F1000 HydrophobicContact CE-CZ 4.45Å; M995-F1000 HydrophobicContact SD-CE2 4.46Å; M995-F1000 HydrophobicContact SD-CZ 4.08Å; M995-R1009 PolarHBondContact O-NH1 2.87Å
996	L	95.5	Very high	93.6	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-39.7	-176.8	-51.9	-174.8	0	0	0	111.4	L989 Q991 S994 R1009 I1017 V1018 V1021 F1035	L989-L996 HydrophobicContact CD2-CB 4.31Å; L989-L996 HydrophobicContact CG-CB 4.19Å; L989-L996 HydrophobicContact CG-CD1 4.4Å; L989-L996 PolarHBondContact O-N 2.87Å; Q991-L996 HydrophobicContact CB-CD1 3.98Å; Q991-L996 HydrophobicContact CB-CD2 4.38Å; Q991-L996 HydrophobicContact CB-CG 4.29Å; S994-L996 PolarHBondContact O-N 3.3Å; L996-R1009 WeakPolarHBondContact O-CD 3.31Å; L996-R1009 PolarHBondContact O-NH1 3.15Å; L996-I1017 HydrophobicContact CB-CG2 4.11Å; L996-I1017 HydrophobicContact CD2-CG2 4.2Å; L996-V1018 HydrophobicContact CD1-CG2 3.63Å; L996-V1018 HydrophobicContact CD2-CG2 4.03Å; L996-V1021 HydrophobicContact CD2-CB 4.2Å; L996-V1021 HydrophobicContact CD2-CG1 4.49Å; L996-V1021 HydrophobicContact CD2-CG2 4.34Å; L996-F1035 HydrophobicContact CD1-CD1 3.99Å; L996-F1035 HydrophobicContact CD1-CE1 3.72Å; L996-F1035 HydrophobicContact CD1-CZ 4.43Å
997	Y	96.9	Very high	93.3	Very high	31 Å²	31	63.4 Å²	63.4	12%	0.122	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	150.6	176	162.4	-87.3	0	0	0	112.5	L971 L975 I986 M988 L989 M1001 L1006	L971-Y997 HydrophobicContact CD2-CD2 4.3Å; L975-Y997 HydrophobicContact CD1-CD2 4.13Å; L975-Y997 HydrophobicContact CD1-CE1 4.35Å; L975-Y997 HydrophobicContact CD1-CE2 3.89Å; L975-Y997 HydrophobicContact CD1-CG 4.46Å; L975-Y997 HydrophobicContact CD2-CD1 3.86Å; L975-Y997 HydrophobicContact CD2-CE1 3.8Å; L975-Y997 HydrophobicContact CD2-CG 4.38Å; I986-Y997 HydrophobicContact CG2-CD1 4.06Å; I986-Y997 HydrophobicContact CG2-CE1 4.06Å; I986-Y997 VanDerWaalsContact O-CE1 3.31Å; I986-Y997 WeakPolarHBondContact O-CE1 3.49Å; M988-Y997 WeakPolarHBondContact CA-O 3.35Å; L989-Y997 HydrophobicContact CB-CD1 4.26Å; L989-Y997 PolarHBondContact N-O 3.19Å; L989-Y997 PolarHBondContact O-N 2.92Å; Y997-M1001 VanDerWaalsContact CA-CE 3.49Å; Y997-M1001 HydrophobicContact CD2-CE 3.68Å; Y997-M1001 HydrophobicContact CG-CE 4.18Å; Y997-L1006 HydrophobicContact CD2-CD1 3.6Å; Y997-L1006 HydrophobicContact CE2-CD1 3.5Å; Y997-L1006 VanDerWaalsContact CE2-CD1 3.5Å
998	S	95.5	Very high	93.1	Very high	2 Å²	2	67.7 Å²	67.7	1%	0.014	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	151.5	170.1	69.8	0	0	0	0	110.4	T987 F1000 M1001	T987-S998 CarbonylContact O-C 3.24Å; T987-S998 VanDerWaalsContact O-CA 3.23Å; T987-S998 WeakPolarHBondContact O-CA 3.25Å; S998-F1000 PolarHBondContact O-N 2.82Å; S998-F1000 WeakPolarHBondContact OG-CD2 3.43Å; S998-F1000 VanDerWaalsContact OG-CE2 3.28Å; S998-F1000 WeakPolarHBondContact OG-CE2 3.46Å; S998-F1000 WeakPolarHBondContact OG-CZ 3.5Å; S998-M1001 WeakPolarHBondContact O-CB 3.41Å; S998-M1001 PolarHBondContact O-N 2.91Å
999	F	91.8	Very high	93	Very high	150 Å²	150	67 Å²	67	66%	0.658	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-28.2	-179.1	76.9	-90.4	0	0	0	113.2	T987 M1001	T987-F999 PolarHBondContact O-N 3.03Å; F999-M1001 VanDerWaalsContact C-N 3.32Å
1000	F	91.9	Very high	92.8	Very high	128 Å²	128	68.4 Å²	68.4	56%	0.561	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	8.8	179.2	57.7	-98.2	0	0	0	113.7	M995 S998	M995-F1000 HydrophobicContact CE-CZ 4.45Å; M995-F1000 HydrophobicContact SD-CE2 4.46Å; M995-F1000 HydrophobicContact SD-CZ 4.08Å; S998-F1000 PolarHBondContact O-N 2.82Å; S998-F1000 WeakPolarHBondContact OG-CD2 3.43Å; S998-F1000 VanDerWaalsContact OG-CE2 3.28Å; S998-F1000 WeakPolarHBondContact OG-CE2 3.46Å; S998-F1000 WeakPolarHBondContact OG-CZ 3.5Å
1001	M	93	Very high	92.8	Very high	27 Å²	27	71.9 Å²	71.9	13%	0.133	39%	0.39	C	S	.	.	S	Bend	trans	-64.1	140.3	175.6	-106.6	-165.9	-51.2	0	0	111.6	Y997 S998 F999 A1003 K1005 L1006	Y997-M1001 VanDerWaalsContact CA-CE 3.49Å; Y997-M1001 HydrophobicContact CD2-CE 3.68Å; Y997-M1001 HydrophobicContact CG-CE 4.18Å; S998-M1001 WeakPolarHBondContact O-CB 3.41Å; S998-M1001 PolarHBondContact O-N 2.91Å; F999-M1001 VanDerWaalsContact C-N 3.32Å; M1001-A1003 PolarHBondContact O-N 2.84Å; M1001-K1005 HydrophobicContact SD-CB 4.22Å; M1001-L1006 HydrophobicContact CE-CD1 4.13Å
1002	P	94.3	Very high	92.9	Very high	80 Å²	80	70.9 Å²	70.9	52%	0.519	39%	0.386	S	S	.	.			trans	-57.3	138.6	173.8	-24.2	33.3	0	0	0	111.9	A1004 K1005 L1006	P1002-A1004 PolarHBondContact O-N 2.95Å; P1002-K1005 PolarHBondContact O-N 3.28Å; P1002-L1006 PolarHBondContact O-N 3.13Å
1003	A	90.9	Very high	93.2	Very high	81 Å²	81	69.8 Å²	69.8	67%	0.669	37%	0.369	S	S	*	.	H	α-helix	trans	-52.1	-35.4	-175.8	0	0	0	0	0	113.9	M1001 L1006 K1007	M1001-A1003 PolarHBondContact O-N 2.84Å; A1003-L1006 PolarHBondContact O-N 3.44Å; A1003-K1007 WeakPolarHBondContact O-CB 3.48Å; A1003-K1007 PolarHBondContact O-N 2.81Å
1004	A	90.9	Very high	93.5	Very high	69 Å²	69	63.5 Å²	63.5	57%	0.57	33%	0.331	S	S	*	.	H	α-helix	trans	-62.4	-46.4	175.4	0	0	0	0	0	112.5	P1002 K1007 E1008	P1002-A1004 PolarHBondContact O-N 2.95Å; A1004-K1007 PolarHBondContact O-N 3.15Å; A1004-E1008 WeakPolarHBondContact O-CG 3.45Å; A1004-E1008 PolarHBondContact O-N 3.04Å; A1004-E1008 VanDerWaalsContact O-N 3.15Å
1005	K	89.8	Confident	93.6	Very high	110 Å²	110	63.7 Å²	63.7	48%	0.478	33%	0.331	S	S	.	.	H	α-helix	trans	-67.8	-36.5	177.4	-77.4	-168.5	177.4	177.7	0	112.2	M1001 P1002 E1008 R1009	M1001-K1005 HydrophobicContact SD-CB 4.22Å; P1002-K1005 PolarHBondContact O-N 3.28Å; K1005-E1008 PolarHBondContact O-N 3.47Å; K1005-R1009 WeakPolarHBondContact O-CG 3.23Å; K1005-R1009 PolarHBondContact O-N 2.98Å
1006	L	90.9	Very high	93.5	Very high	48 Å²	48	64.4 Å²	64.4	25%	0.251	33%	0.334	S	S	.	.	H	α-helix	trans	-63.8	-48.4	177.2	-175.7	64.4	0	0	0	110.6	Y997 M1001 P1002 A1003 E1008 R1009 L1010	Y997-L1006 HydrophobicContact CD2-CD1 3.6Å; Y997-L1006 HydrophobicContact CE2-CD1 3.5Å; Y997-L1006 VanDerWaalsContact CE2-CD1 3.5Å; M1001-L1006 HydrophobicContact CE-CD1 4.13Å; P1002-L1006 PolarHBondContact O-N 3.13Å; A1003-L1006 PolarHBondContact O-N 3.44Å; L1006-E1008 PolarHBondContact O-N 3.16Å; L1006-R1009 PolarHBondContact O-N 2.94Å; L1006-L1010 HydrophobicContact CD1-CD1 4.33Å; L1006-L1010 HydrophobicContact CD1-CD2 4.06Å; L1006-L1010 HydrophobicContact CD1-CG 3.98Å; L1006-L1010 HydrophobicContact CD2-CD1 4.39Å; L1006-L1010 HydrophobicContact CG-CD1 3.88Å; L1006-L1010 HydrophobicContact CG-CG 4.01Å; L1006-L1010 WeakPolarHBondContact O-CG 3.28Å; L1006-L1010 PolarHBondContact O-N 2.63Å
1007	K	90.1	Very high	93.5	Very high	166 Å²	166	64.4 Å²	64.4	72%	0.722	33%	0.334	S	S	*	.	H	α-helix	trans	-59.2	-34.9	177.2	-170.2	176.9	-179.9	180	0	112.8	A1003 A1004 R1009	A1003-K1007 WeakPolarHBondContact O-CB 3.48Å; A1003-K1007 PolarHBondContact O-N 2.81Å; A1004-K1007 PolarHBondContact O-N 3.15Å; K1007-R1009 VanDerWaalsContact C-N 3.29Å; K1007-R1009 PolarHBondContact O-N 2.77Å
1008	E	91.9	Very high	93.4	Very high	109 Å²	109	63 Å²	63	51%	0.509	33%	0.328	S	S	.	.	H	α-helix	trans	-69.3	-20.7	175.4	-77.6	-178.4	-150.1	0	0	114.6	A1004 K1005 L1006 L1012 K1020	A1004-E1008 WeakPolarHBondContact O-CG 3.45Å; A1004-E1008 PolarHBondContact O-N 3.04Å; A1004-E1008 VanDerWaalsContact O-N 3.15Å; K1005-E1008 PolarHBondContact O-N 3.47Å; L1006-E1008 PolarHBondContact O-N 3.16Å; E1008-L1012 WeakPolarHBondContact O-CD1 3.18Å; E1008-L1012 WeakPolarHBondContact O-CG 3.23Å; E1008-K1020 IonicContact OE2-NZ 2.83Å; E1008-K1020 PolarHBondContact OE2-NZ 2.93Å
1009	R	93.6	Very high	93.3	Very high	39 Å²	39	64.9 Å²	64.9	15%	0.147	34%	0.34	C	S	.	.	H	α-helix	trans	-108.7	-31.3	-172.2	-68.2	-178.3	-174	-166.9	0.6	113.8	L971 M995 L996 K1005 L1006 K1007 D1011 L1012 I1017	L971-R1009 HydrophobicContact CD2-CB 3.93Å; M995-R1009 PolarHBondContact O-NH1 2.87Å; L996-R1009 WeakPolarHBondContact O-CD 3.31Å; L996-R1009 PolarHBondContact O-NH1 3.15Å; K1005-R1009 WeakPolarHBondContact O-CG 3.23Å; K1005-R1009 PolarHBondContact O-N 2.98Å; L1006-R1009 PolarHBondContact O-N 2.94Å; K1007-R1009 VanDerWaalsContact C-N 3.29Å; K1007-R1009 PolarHBondContact O-N 2.77Å; R1009-D1011 VanDerWaalsContact C-N 3.27Å; R1009-D1011 PolarHBondContact O-N 2.74Å; R1009-L1012 PolarHBondContact O-N 3.03Å; R1009-L1012 VanDerWaalsContact O-N 3.09Å; R1009-I1017 HydrophobicContact CB-CD1 4.42Å; R1009-I1017 WeakPolarHBondContact O-CD1 3.1Å
1010	L	94.4	Very high	93.3	Very high	31 Å²	31	62.8 Å²	62.8	16%	0.162	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-41.5	-171.7	-80.9	172.1	0	0	0	113.7	L971 R972 L975 L1006	L971-L1010 HydrophobicContact CD2-CD2 4.46Å; L971-L1010 HydrophobicContact CG-CD2 4.47Å; L971-L1010 PolarHBondContact N-O 3.14Å; R972-L1010 HydrophobicContact CB-CB 4.4Å; R972-L1010 HydrophobicContact CB-CD2 4.33Å; R972-L1010 WeakPolarHBondContact CB-O 3.18Å; R972-L1010 PolarHBondContact N-O 2.91Å; L975-L1010 HydrophobicContact CD1-CD2 3.96Å; L1006-L1010 HydrophobicContact CD1-CD1 4.33Å; L1006-L1010 HydrophobicContact CD1-CD2 4.06Å; L1006-L1010 HydrophobicContact CD1-CG 3.98Å; L1006-L1010 HydrophobicContact CD2-CD1 4.39Å; L1006-L1010 HydrophobicContact CG-CD1 3.88Å; L1006-L1010 HydrophobicContact CG-CG 4.01Å; L1006-L1010 WeakPolarHBondContact O-CG 3.28Å; L1006-L1010 PolarHBondContact O-N 2.63Å
1011	D	95.2	Very high	93.3	Very high	94 Å²	94	58.4 Å²	58.4	50%	0.503	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	6.1	-174.7	-53.4	-41.8	0	0	0	112.7	R972 R1009	R972-D1011 IonicContact CZ-OD1 2.65Å; R972-D1011 VanDerWaalsContact CZ-OD1 3.28Å; R972-D1011 IonicContact NE-OD1 3.53Å; R972-D1011 PolarHBondContact NE-OD1 3.46Å; R972-D1011 IonicContact NH2-OD1 3.92Å; R972-D1011 PolarHBondContact NH2-OD1 2.71Å; R972-D1011 IonicContact NH2-OD2 2.87Å; R972-D1011 PolarHBondContact NH2-OD2 3.12Å; R1009-D1011 VanDerWaalsContact C-N 3.27Å; R1009-D1011 PolarHBondContact O-N 2.74Å
1012	L	96.3	Very high	93.2	Very high	33 Å²	33	58.5 Å²	58.5	17%	0.173	32%	0.317	C	S	.	.	S	Bend	trans	-85.4	145.6	175.4	-65.1	-178	0	0	0	111.2	T970 L971 E1008 R1009 I1017 K1020	T970-L1012 VanDerWaalsContact CA-O 3.27Å; T970-L1012 WeakPolarHBondContact CA-O 3.27Å; L971-L1012 PolarHBondContact N-O 3.12Å; L971-L1012 VanDerWaalsContact N-O 3.09Å; E1008-L1012 WeakPolarHBondContact O-CD1 3.18Å; E1008-L1012 WeakPolarHBondContact O-CG 3.23Å; R1009-L1012 PolarHBondContact O-N 3.03Å; R1009-L1012 VanDerWaalsContact O-N 3.09Å; L1012-I1017 HydrophobicContact CB-CD1 4.05Å; L1012-I1017 HydrophobicContact CB-CG1 3.62Å; L1012-I1017 HydrophobicContact CD1-CG1 4.23Å; L1012-K1020 HydrophobicContact CD1-CD 4.4Å
1013	P	96.3	Very high	93	Very high	34 Å²	34	63.7 Å²	63.7	22%	0.221	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-56.5	146.3	167.1	-24.1	34.5	0	0	0	112.3	E968 T1015 E1016 I1017	E968-P1013 HydrophobicContact CB-CB 4.11Å; E968-P1013 HydrophobicContact CG-CB 4.1Å; P1013-T1015 VanDerWaalsContact C-N 3.32Å; P1013-T1015 PolarHBondContact O-N 2.99Å; P1013-E1016 HydrophobicContact CB-CB 4.27Å; P1013-E1016 HydrophobicContact CG-CB 4.49Å; P1013-E1016 WeakPolarHBondContact O-CB 3.46Å; P1013-E1016 PolarHBondContact O-N 3.47Å; P1013-E1016 VanDerWaalsContact O-N 3.1Å; P1013-I1017 WeakPolarHBondContact O-CG1 3.39Å; P1013-I1017 PolarHBondContact O-N 3.28Å; P1013-I1017 VanDerWaalsContact O-N 3.11Å
1014	M	96.4	Very high	92.7	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-55.9	-43.6	-178.8	-69.1	-60.4	-72.2	0	0	112.7	E968 M969 L971 F974 L989 E1016 I1017 V1018 F1035 Y1054	E968-M1014 PolarHBondContact OE1-N 3.06Å; M969-M1014 WeakPolarHBondContact O-CG 3.47Å; M969-M1014 PolarHBondContact O-N 2.72Å; L971-M1014 HydrophobicContact CB-SD 4.17Å; L971-M1014 HydrophobicContact CD1-SD 4.16Å; F974-M1014 HydrophobicContact CB-SD 4.02Å; F974-M1014 HydrophobicContact CD1-CE 4.31Å; F974-M1014 HydrophobicContact CD2-CE 4.08Å; F974-M1014 HydrophobicContact CD2-SD 4.42Å; F974-M1014 HydrophobicContact CE2-CE 4.32Å; F974-M1014 HydrophobicContact CG-CE 4.07Å; F974-M1014 HydrophobicContact CG-SD 4.17Å; L989-M1014 HydrophobicContact CD2-CE 3.72Å; M1014-E1016 VanDerWaalsContact C-N 3.33Å; M1014-E1016 PolarHBondContact O-N 3.17Å; M1014-I1017 PolarHBondContact O-N 2.89Å; M1014-V1018 WeakPolarHBondContact O-CG2 3.48Å; M1014-V1018 PolarHBondContact O-N 2.84Å; M1014-F1035 HydrophobicContact CB-CE2 4.43Å; M1014-F1035 HydrophobicContact CB-CZ 4.27Å; M1014-F1035 HydrophobicContact CE-CD2 3.91Å; M1014-F1035 HydrophobicContact CE-CE1 4.42Å; M1014-F1035 HydrophobicContact CE-CE2 3.34Å; M1014-F1035 HydrophobicContact CE-CZ 3.66Å; M1014-Y1054 HydrophobicContact CB-CE1 3.91Å; M1014-Y1054 HydrophobicContact CB-CE2 4.14Å; M1014-Y1054 HydrophobicContact CG-CE2 3.84Å
1015	T	94.3	Very high	92.5	Very high	23 Å²	23	73.2 Å²	73.2	14%	0.141	35%	0.345	C	S	.	.	H	α-helix	trans	-65.1	-33.9	178.4	60.6	0	0	0	0	113.3	E968 P1013 T1019 L1026 L1033 I1056	E968-T1015 VanDerWaalsContact OE1-CB 3.29Å; E968-T1015 WeakPolarHBondContact OE1-CB 3.23Å; E968-T1015 WeakPolarHBondContact OE1-CG2 3.48Å; E968-T1015 PolarHBondContact OE1-N 3.21Å; E968-T1015 PolarHBondContact OE1-OG1 2.96Å; E968-T1015 PolarHBondContact OE2-OG1 3.02Å; P1013-T1015 VanDerWaalsContact C-N 3.32Å; P1013-T1015 PolarHBondContact O-N 2.99Å; T1015-T1019 WeakPolarHBondContact O-CB 3.16Å; T1015-T1019 PolarHBondContact O-N 2.82Å; T1015-T1019 PolarHBondContact O-OG1 2.75Å; T1015-L1026 HydrophobicContact CG2-CD1 3.68Å; T1015-L1033 HydrophobicContact CG2-CD1 4.16Å; T1015-I1056 HydrophobicContact CG2-CD1 3.95Å; T1015-I1056 HydrophobicContact CG2-CG1 3.95Å; T1015-I1056 HydrophobicContact CG2-CG2 3.8Å
1016	E	94.7	Very high	92.3	Very high	97 Å²	97	70.7 Å²	70.7	45%	0.453	34%	0.337	S	S	.	.	H	α-helix	trans	-68.7	-41.7	177	-171.4	176.5	164.6	0	0	110.5	P1013 M1014 T1019 K1020	P1013-E1016 HydrophobicContact CB-CB 4.27Å; P1013-E1016 HydrophobicContact CG-CB 4.49Å; P1013-E1016 WeakPolarHBondContact O-CB 3.46Å; P1013-E1016 PolarHBondContact O-N 3.47Å; P1013-E1016 VanDerWaalsContact O-N 3.1Å; M1014-E1016 VanDerWaalsContact C-N 3.33Å; M1014-E1016 PolarHBondContact O-N 3.17Å; E1016-T1019 PolarHBondContact O-N 3.12Å; E1016-K1020 VanDerWaalsContact O-CB 3.32Å; E1016-K1020 WeakPolarHBondContact O-CB 3.32Å; E1016-K1020 PolarHBondContact O-N 3.2Å
1017	I	94.8	Very high	91.7	Very high	1 Å²	1	69.6 Å²	69.6	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-62.1	-48.4	175.9	-60.5	168.3	0	0	0	110.1	L971 L996 R1009 L1012 P1013 M1014 T1019 K1020 V1021	L971-I1017 HydrophobicContact CB-CD1 3.49Å; L971-I1017 VanDerWaalsContact CB-CD1 3.49Å; L971-I1017 HydrophobicContact CD2-CD1 4.08Å; L971-I1017 HydrophobicContact CG-CD1 4.3Å; L996-I1017 HydrophobicContact CB-CG2 4.11Å; L996-I1017 HydrophobicContact CD2-CG2 4.2Å; R1009-I1017 HydrophobicContact CB-CD1 4.42Å; R1009-I1017 WeakPolarHBondContact O-CD1 3.1Å; L1012-I1017 HydrophobicContact CB-CD1 4.05Å; L1012-I1017 HydrophobicContact CB-CG1 3.62Å; L1012-I1017 HydrophobicContact CD1-CG1 4.23Å; P1013-I1017 WeakPolarHBondContact O-CG1 3.39Å; P1013-I1017 PolarHBondContact O-N 3.28Å; P1013-I1017 VanDerWaalsContact O-N 3.11Å; M1014-I1017 PolarHBondContact O-N 2.89Å; I1017-T1019 VanDerWaalsContact C-N 3.28Å; I1017-T1019 PolarHBondContact O-N 3.48Å; I1017-K1020 PolarHBondContact O-N 2.81Å; I1017-V1021 HydrophobicContact CG2-CG2 4.11Å; I1017-V1021 VanDerWaalsContact O-CG2 3.32Å; I1017-V1021 WeakPolarHBondContact O-CG2 3.4Å; I1017-V1021 PolarHBondContact O-N 3.25Å
1018	V	94.5	Very high	91.2	Very high	1 Å²	1	71.4 Å²	71.4	1%	0.006	35%	0.345	C	S	.	.	H	α-helix	trans	-56.4	-45.9	177.3	172.1	0	0	0	0	110.5	Q991 L996 M1014 K1020 S1022 L1026 L1033 F1035	Q991-V1018 HydrophobicContact CB-CG2 4.3Å; Q991-V1018 HydrophobicContact CG-CG1 4.3Å; Q991-V1018 HydrophobicContact CG-CG2 4.28Å; L996-V1018 HydrophobicContact CD1-CG2 3.63Å; L996-V1018 HydrophobicContact CD2-CG2 4.03Å; M1014-V1018 WeakPolarHBondContact O-CG2 3.48Å; M1014-V1018 PolarHBondContact O-N 2.84Å; V1018-K1020 PolarHBondContact O-N 2.93Å; V1018-S1022 WeakPolarHBondContact O-CB 3.35Å; V1018-S1022 PolarHBondContact O-N 2.89Å; V1018-S1022 PolarHBondContact O-OG 3.21Å; V1018-L1026 HydrophobicContact CG1-CD2 3.97Å; V1018-L1033 HydrophobicContact CG2-CD1 4.22Å; V1018-F1035 HydrophobicContact CG2-CE1 3.81Å; V1018-F1035 HydrophobicContact CG2-CZ 4.23Å
1019	T	93.3	Very high	90.6	Very high	42 Å²	42	69 Å²	69	26%	0.258	33%	0.334	S	S	.	.	H	α-helix	trans	-63.9	-42.5	178.9	-60.8	0	0	0	0	112.1	T1015 E1016 I1017 K1023 K1024 K1025	T1015-T1019 WeakPolarHBondContact O-CB 3.16Å; T1015-T1019 PolarHBondContact O-N 2.82Å; T1015-T1019 PolarHBondContact O-OG1 2.75Å; E1016-T1019 PolarHBondContact O-N 3.12Å; I1017-T1019 VanDerWaalsContact C-N 3.28Å; I1017-T1019 PolarHBondContact O-N 3.48Å; T1019-K1023 WeakPolarHBondContact O-CA 3.27Å; T1019-K1023 PolarHBondContact O-N 2.84Å; T1019-K1024 WeakPolarHBondContact CA-O 3.04Å; T1019-K1025 HydrophobicContact CG2-CG 4.24Å
1020	K	92.4	Very high	90	Very high	105 Å²	105	69.2 Å²	69.2	46%	0.457	34%	0.339	S	S	.	.	H	α-helix	trans	-67.4	-42.1	-179.2	-172.3	175.1	176.7	-175.3	0	111.9	E1008 L1012 E1016 I1017 V1018	E1008-K1020 IonicContact OE2-NZ 2.83Å; E1008-K1020 PolarHBondContact OE2-NZ 2.93Å; L1012-K1020 HydrophobicContact CD1-CD 4.4Å; E1016-K1020 VanDerWaalsContact O-CB 3.32Å; E1016-K1020 WeakPolarHBondContact O-CB 3.32Å; E1016-K1020 PolarHBondContact O-N 3.2Å; I1017-K1020 PolarHBondContact O-N 2.81Å; V1018-K1020 PolarHBondContact O-N 2.93Å
1021	V	92.4	Very high	89.8	Confident	37 Å²	37	71.2 Å²	71.2	22%	0.224	35%	0.347	C	S	.	.	H	α-helix	trans	-77.9	-48	-177.3	-179.9	0	0	0	0	111.5	L996 I1017 K1023	L996-V1021 HydrophobicContact CD2-CB 4.2Å; L996-V1021 HydrophobicContact CD2-CG1 4.49Å; L996-V1021 HydrophobicContact CD2-CG2 4.34Å; I1017-V1021 HydrophobicContact CG2-CG2 4.11Å; I1017-V1021 VanDerWaalsContact O-CG2 3.32Å; I1017-V1021 WeakPolarHBondContact O-CG2 3.4Å; I1017-V1021 PolarHBondContact O-N 3.25Å; V1021-K1023 PolarHBondContact O-N 3.3Å
1022	S	89.3	Confident	89.6	Confident	28 Å²	28	67.3 Å²	67.3	20%	0.196	33%	0.327	C	S	.	.	H	α-helix	trans	-71.7	-16.4	179.8	69.4	0	0	0	0	113.1	V1018 K1024	V1018-S1022 WeakPolarHBondContact O-CB 3.35Å; V1018-S1022 PolarHBondContact O-N 2.89Å; V1018-S1022 PolarHBondContact O-OG 3.21Å; S1022-K1024 PolarHBondContact O-N 3.49Å; S1022-K1024 PolarHBondContact OG-N 3.23Å; S1022-K1024 PolarHBondContact OG-O 3.27Å
1023	K	89.8	Confident	89.5	Confident	189 Å²	189	66.2 Å²	66.2	82%	0.822	32%	0.321	S	S	*	.			trans	56.7	22.6	-170.9	-54.8	179.3	-178.2	177	0	112.9	T1019 V1021	T1019-K1023 WeakPolarHBondContact O-CA 3.27Å; T1019-K1023 PolarHBondContact O-N 2.84Å; V1021-K1023 PolarHBondContact O-N 3.3Å
1024	K	85.5	Confident	89.4	Confident	159 Å²	159	66.6 Å²	66.6	69%	0.691	32%	0.323	S	S	*	.			trans	-123.9	128.9	179.4	-68.6	178.9	-178.2	178.6	0	109.3	T1019 S1022	T1019-K1024 WeakPolarHBondContact CA-O 3.04Å; S1022-K1024 PolarHBondContact O-N 3.49Å; S1022-K1024 PolarHBondContact OG-N 3.23Å; S1022-K1024 PolarHBondContact OG-O 3.27Å
1025	K	86.7	Confident	89.5	Confident	191 Å²	191	66.6 Å²	66.6	83%	0.83	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-69.2	136.8	172.6	-68.1	-173.2	177.5	-175.1	0	109.7	T1019	T1019-K1025 HydrophobicContact CG2-CG 4.24Å
1026	L	85.1	Confident	89.6	Confident	57 Å²	57	70 Å²	70	30%	0.298	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-64.6	136.2	171.5	-62.4	176.8	0	0	0	110.4	T1015 V1018 L1033 I1056	T1015-L1026 HydrophobicContact CG2-CD1 3.68Å; V1018-L1026 HydrophobicContact CG1-CD2 3.97Å; L1026-L1033 HydrophobicContact CD1-CD1 4.09Å; L1026-L1033 HydrophobicContact CD1-CD2 4.39Å; L1026-L1033 HydrophobicContact CD2-CD2 3.94Å; L1026-I1056 HydrophobicContact CD1-CD1 4.3Å
1027	G	79.2	Confident	89.6	Confident	25 Å²	25	66.3 Å²	66.3	26%	0.258	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-72	148.3	176.3	0	0	0	0	0	111.4	H1029 V1030	G1027-H1029 PolarHBondContact O-N 3.32Å; G1027-H1029 VanDerWaalsContact O-N 3.08Å; G1027-V1030 WeakPolarHBondContact O-CB 3.13Å; G1027-V1030 PolarHBondContact O-N 3.13Å; G1027-V1030 VanDerWaalsContact O-N 3.12Å
1028	K	79.9	Confident	89.6	Confident	204 Å²	204	68.3 Å²	68.3	89%	0.887	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-18.2	178.2	-68.6	-172.9	176.9	-175.2	0	114.8
1029	H	77.8	Confident	89.6	Confident	59 Å²	59	68.2 Å²	68.2	27%	0.273	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-14.8	-179.9	58.3	-77.8	0	0	0	112.9	R558 G1027 K1031	R558-H1029 PolarHBondContact NE-CE1 3.27Å; G1027-H1029 PolarHBondContact O-N 3.32Å; G1027-H1029 VanDerWaalsContact O-N 3.08Å; H1029-K1031 PolarHBondContact O-N 3.18Å
1030	V	82.8	Confident	89.7	Confident	43 Å²	43	67.5 Å²	67.5	26%	0.261	33%	0.328	S	S	.	.			trans	-74.6	114	-179.6	-178.2	0	0	0	0	108.4	G1027 A1032 L1033 I1056	G1027-V1030 WeakPolarHBondContact O-CB 3.13Å; G1027-V1030 PolarHBondContact O-N 3.13Å; G1027-V1030 VanDerWaalsContact O-N 3.12Å; V1030-A1032 VanDerWaalsContact CG1-O 3.25Å; V1030-A1032 WeakPolarHBondContact CG1-O 3.48Å; V1030-L1033 HydrophobicContact CG1-CD2 3.88Å; V1030-I1056 HydrophobicContact CG1-CD1 4Å
1031	K	88.8	Confident	89.6	Confident	74 Å²	74	63.5 Å²	63.5	32%	0.322	31%	0.312	S	S	.	.			trans	-96.4	-26.5	175.9	-44.8	-174.9	177.4	-174.7	0	112.8	D562 D563 H1029 I1056	D562-K1031 HydrophobicContact CB-CD 4.11Å; D562-K1031 WeakPolarHBondContact OD2-CB 3.43Å; D563-K1031 IonicContact OD1-NZ 2.9Å; D563-K1031 PolarHBondContact OD1-NZ 2.99Å; D563-K1031 IonicContact OD2-NZ 3.67Å; D563-K1031 PolarHBondContact OD2-NZ 3.49Å; H1029-K1031 PolarHBondContact O-N 3.18Å; K1031-I1056 PolarHBondContact O-N 3.21Å
1032	A	92.4	Very high	89.5	Confident	11 Å²	11	68.1 Å²	68.1	9%	0.091	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	156.7	176.6	0	0	0	0	0	112.6	Y590 V1030 R1053 Y1054	Y590-A1032 VanDerWaalsContact OH-CB 3.3Å; Y590-A1032 WeakPolarHBondContact OH-CB 3.28Å; V1030-A1032 VanDerWaalsContact CG1-O 3.25Å; V1030-A1032 WeakPolarHBondContact CG1-O 3.48Å; A1032-R1053 HydrophobicContact CB-CG 4.05Å; A1032-Y1054 CarbonylContact C-O 3.4Å; A1032-Y1054 WeakPolarHBondContact CA-O 3.18Å
1033	L	92.9	Very high	89.5	Confident	10 Å²	10	70.8 Å²	70.8	5%	0.052	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	146.6	173.6	-61.9	171.8	0	0	0	109.4	T1015 V1018 L1026 V1030 F1035 Y1054 I1056	T1015-L1033 HydrophobicContact CG2-CD1 4.16Å; V1018-L1033 HydrophobicContact CG2-CD1 4.22Å; L1026-L1033 HydrophobicContact CD1-CD1 4.09Å; L1026-L1033 HydrophobicContact CD1-CD2 4.39Å; L1026-L1033 HydrophobicContact CD2-CD2 3.94Å; V1030-L1033 HydrophobicContact CG1-CD2 3.88Å; L1033-F1035 HydrophobicContact CB-CE1 3.99Å; L1033-F1035 HydrophobicContact CB-CZ 3.99Å; L1033-F1035 HydrophobicContact CD1-CE1 4.19Å; L1033-F1035 HydrophobicContact CD1-CZ 3.9Å; L1033-Y1054 HydrophobicContact CD1-CD1 4.42Å; L1033-Y1054 PolarHBondContact N-O 3.4Å; L1033-Y1054 PolarHBondContact O-N 3.2Å; L1033-I1056 HydrophobicContact CD1-CD1 4.19Å; L1033-I1056 HydrophobicContact CD1-CG1 4.35Å; L1033-I1056 HydrophobicContact CD2-CD1 4.41Å; L1033-I1056 HydrophobicContact CG-CD1 3.95Å; L1033-I1056 HydrophobicContact CG-CG1 4.21Å
1034	V	95.4	Very high	89.3	Confident	43 Å²	43	67.3 Å²	67.3	26%	0.261	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	126	170.4	176.9	0	0	0	0	108.5	Y590 Y1051 V1052	Y590-V1034 HydrophobicContact CD2-CG2 3.77Å; Y590-V1034 HydrophobicContact CE2-CG2 3.45Å; Y590-V1034 VanDerWaalsContact CE2-CG2 3.45Å; V1034-Y1051 HydrophobicContact CG1-CD2 3.85Å; V1034-Y1051 HydrophobicContact CG1-CG 4.41Å; V1034-V1052 WeakPolarHBondContact CA-O 3.41Å
1035	F	97.3	Very high	89.6	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	135.9	170.2	-56.8	-45.2	0	0	0	111.4	F974 L989 S990 Q991 L996 M1014 V1018 L1033 V1052 Y1054	F974-F1035 HydrophobicContact CE2-CD2 4.03Å; F974-F1035 HydrophobicContact CE2-CE2 4.36Å; F974-F1035 AromaticContact CZ-CD2 3.98Å; F974-F1035 HydrophobicContact CZ-CD2 3.98Å; L989-F1035 HydrophobicContact CD1-CB 3.66Å; L989-F1035 HydrophobicContact CD1-CD2 4.45Å; L989-F1035 HydrophobicContact CD1-CG 4.04Å; S990-F1035 VanDerWaalsContact O-CA 3.32Å; S990-F1035 WeakPolarHBondContact O-CA 3.39Å; Q991-F1035 HydrophobicContact CB-CD1 3.86Å; Q991-F1035 HydrophobicContact CB-CE1 3.98Å; Q991-F1035 HydrophobicContact CG-CD1 4.01Å; Q991-F1035 HydrophobicContact CG-CE1 3.91Å; L996-F1035 HydrophobicContact CD1-CD1 3.99Å; L996-F1035 HydrophobicContact CD1-CE1 3.72Å; L996-F1035 HydrophobicContact CD1-CZ 4.43Å; M1014-F1035 HydrophobicContact CB-CE2 4.43Å; M1014-F1035 HydrophobicContact CB-CZ 4.27Å; M1014-F1035 HydrophobicContact CE-CD2 3.91Å; M1014-F1035 HydrophobicContact CE-CE1 4.42Å; M1014-F1035 HydrophobicContact CE-CE2 3.34Å; M1014-F1035 HydrophobicContact CE-CZ 3.66Å; V1018-F1035 HydrophobicContact CG2-CE1 3.81Å; V1018-F1035 HydrophobicContact CG2-CZ 4.23Å; L1033-F1035 HydrophobicContact CB-CE1 3.99Å; L1033-F1035 HydrophobicContact CB-CZ 3.99Å; L1033-F1035 HydrophobicContact CD1-CE1 4.19Å; L1033-F1035 HydrophobicContact CD1-CZ 3.9Å; F1035-V1052 HydrophobicContact CB-CB 4.14Å; F1035-V1052 PolarHBondContact N-O 3.04Å; F1035-V1052 PolarHBondContact O-N 3.4Å; F1035-Y1054 HydrophobicContact CD2-CG 4.26Å; F1035-Y1054 HydrophobicContact CE2-CD1 4.01Å; F1035-Y1054 AromaticContact CE2-CD2 3.86Å; F1035-Y1054 HydrophobicContact CE2-CD2 3.86Å; F1035-Y1054 AromaticContact CE2-CG 3.48Å; F1035-Y1054 HydrophobicContact CE2-CG 3.48Å; F1035-Y1054 VanDerWaalsContact CE2-CG 3.48Å; F1035-Y1054 HydrophobicContact CZ-CD1 4.29Å; F1035-Y1054 HydrophobicContact CZ-CG 4.21Å
1036	E	96.4	Very high	89.9	Confident	94 Å²	94	62.5 Å²	62.5	44%	0.439	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	138.2	172.5	-55.7	-62	165.1	0	0	109.3	L989 S990	L989-E1036 WeakPolarHBondContact CA-O 3.41Å; S990-E1036 PolarHBondContact N-O 3.33Å; S990-E1036 PolarHBondContact O-N 2.81Å
1037	L	95.3	Very high	90.3	Very high	19 Å²	19	61.1 Å²	61.1	10%	0.099	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	143.1	-175.1	-56.1	-179.2	0	0	0	111	F974 F978 I986 M988 L989 V1049 V1052	F974-L1037 HydrophobicContact CE1-CD2 4.15Å; F974-L1037 HydrophobicContact CZ-CD2 4.5Å; F978-L1037 HydrophobicContact CD1-CD1 4.09Å; F978-L1037 HydrophobicContact CE1-CD1 3.62Å; F978-L1037 HydrophobicContact CE2-CD1 4.4Å; F978-L1037 HydrophobicContact CZ-CD1 3.81Å; I986-L1037 HydrophobicContact CD1-CD1 4.38Å; I986-L1037 HydrophobicContact CD1-CD2 3.95Å; I986-L1037 HydrophobicContact CG1-CD2 4.36Å; I986-L1037 HydrophobicContact CG2-CD2 4.41Å; M988-L1037 WeakPolarHBondContact O-CA 3.28Å; L989-L1037 HydrophobicContact CB-CD2 4.47Å; L989-L1037 HydrophobicContact CD1-CD2 3.36Å; L989-L1037 HydrophobicContact CG-CD2 4.48Å; L1037-V1049 HydrophobicContact CB-CG2 4.02Å; L1037-V1049 HydrophobicContact CD1-CG2 4.35Å; L1037-V1052 HydrophobicContact CD1-CG2 3.49Å; L1037-V1052 VanDerWaalsContact CD1-CG2 3.49Å; L1037-V1052 HydrophobicContact CD2-CG2 4.26Å; L1037-V1052 HydrophobicContact CG-CG2 3.86Å
1038	C	95.1	Very high	91	Very high	43 Å²	43	65.8 Å²	65.8	29%	0.291	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	139.4	149.8	-54.8	0	0	0	0	106.8	T987 M988	T987-C1038 PolarHBondContact N-O 3.33Å; T987-C1038 VanDerWaalsContact OG1-C 3.24Å; T987-C1038 PolarHBondContact OG1-O 3.45Å; T987-C1038 VanDerWaalsContact OG1-O 3.06Å; M988-C1038 HydrophobicContact CB-CB 3.97Å; M988-C1038 HydrophobicContact CE-CB 4.49Å; M988-C1038 WeakPolarHBondContact CE-SG 3.46Å; M988-C1038 PolarHBondContact N-O 3.24Å; M988-C1038 VanDerWaalsContact N-O 3.07Å; M988-C1038 PolarHBondContact O-N 3.47Å
1039	C	94.6	Very high	91.7	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	151.8	-175.8	53.2	0	0	0	0	111.4	L984 E985 V1047 V1049	L984-C1039 HydrophobicContact CB-CB 4.21Å; E985-C1039 CarbonylContact O-C 3.55Å; E985-C1039 WeakPolarHBondContact O-CA 3.36Å; E985-C1039 WeakPolarHBondContact O-CB 3.26Å; C1039-V1047 WeakPolarHBondContact O-CG2 3.35Å; C1039-V1047 PolarHBondContact O-N 3.47Å; C1039-V1049 WeakPolarHBondContact SG-CG1 3.42Å; C1039-V1049 WeakPolarHBondContact SG-CG2 3.48Å
1040	N	94.6	Very high	92.6	Very high	26 Å²	26	54 Å²	54	14%	0.139	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	147.9	169.8	-68.4	4.5	0	0	0	110.3	E985 T987 D1044 E1045	E985-N1040 PolarHBondContact N-O 2.99Å; E985-N1040 PolarHBondContact O-N 3.02Å; T987-N1040 HydrophobicContact CG2-CB 4.25Å; T987-N1040 VanDerWaalsContact CG2-OD1 3.27Å; T987-N1040 WeakPolarHBondContact CG2-OD1 3.47Å; N1040-D1044 PolarHBondContact ND2-OD1 3.25Å; N1040-E1045 CarbonylContact C-O 3.53Å; N1040-E1045 VanDerWaalsContact CA-O 3.23Å; N1040-E1045 WeakPolarHBondContact CA-O 3.44Å
1041	D	91.1	Very high	93.3	Very high	21 Å²	21	53.3 Å²	53.3	11%	0.112	28%	0.282	C	S	.	.			trans	-79.9	-178.7	170.3	90.4	-28.5	0	0	0	111.4	Y947 S1043 D1044 E1045 V1047	Y947-D1041 HydrophobicContact CD1-CB 4.47Å; Y947-D1041 HydrophobicContact CE1-CB 3.58Å; Y947-D1041 VanDerWaalsContact OH-C 3.26Å; Y947-D1041 WeakPolarHBondContact OH-CA 3.36Å; Y947-D1041 WeakPolarHBondContact OH-CB 3.5Å; D1041-S1043 PolarHBondContact O-N 3.04Å; D1041-S1043 VanDerWaalsContact O-N 3.16Å; D1041-S1043 VanDerWaalsContact OD1-CA 3.23Å; D1041-S1043 WeakPolarHBondContact OD1-CA 3.45Å; D1041-S1043 WeakPolarHBondContact OD1-CB 3.39Å; D1041-S1043 PolarHBondContact OD1-N 3.45Å; D1041-S1043 PolarHBondContact OD2-OG 2.98Å; D1041-D1044 PolarHBondContact O-N 3.05Å; D1041-D1044 PolarHBondContact OD1-N 3.48Å; D1041-D1044 VanDerWaalsContact OD1-N 3.13Å; D1041-E1045 PolarHBondContact N-O 3.2Å; D1041-E1045 PolarHBondContact OD1-N 2.78Å; D1041-V1047 HydrophobicContact CB-CG1 3.96Å; D1041-V1047 HydrophobicContact CB-CG2 4.13Å
1042	L	89.7	Confident	93.7	Very high	135 Å²	135	49.8 Å²	49.8	71%	0.707	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-15.2	177.9	-71.6	177.6	0	0	0	113.1	Y947 K983 D1044	Y947-L1042 HydrophobicContact CE1-CB 4.25Å; Y947-L1042 HydrophobicContact CE1-CG 4.27Å; Y947-L1042 WeakPolarHBondContact OH-CG 3.43Å; Y947-L1042 PolarHBondContact OH-N 3.44Å; K983-L1042 HydrophobicContact CB-CD1 4.26Å; K983-L1042 HydrophobicContact CB-CD2 4.21Å; K983-L1042 HydrophobicContact CB-CG 4.18Å; L1042-D1044 VanDerWaalsContact C-N 3.33Å
1043	S	88.9	Confident	93.9	Very high	84 Å²	84	50.7 Å²	50.7	59%	0.587	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	1	176.4	-38.3	0	0	0	0	112.3	D1041 E1045	D1041-S1043 PolarHBondContact O-N 3.04Å; D1041-S1043 VanDerWaalsContact O-N 3.16Å; D1041-S1043 VanDerWaalsContact OD1-CA 3.23Å; D1041-S1043 WeakPolarHBondContact OD1-CA 3.45Å; D1041-S1043 WeakPolarHBondContact OD1-CB 3.39Å; D1041-S1043 PolarHBondContact OD1-N 3.45Å; D1041-S1043 PolarHBondContact OD2-OG 2.98Å; S1043-E1045 PolarHBondContact O-N 3.11Å
1044	D	86.7	Confident	94.1	Very high	116 Å²	116	50.2 Å²	50.2	62%	0.62	27%	0.265	S	S	*	.	S	Bend	trans	65.4	23.2	-174.3	-155.5	30.1	0	0	0	113.6	N1040 D1041 L1042	N1040-D1044 PolarHBondContact ND2-OD1 3.25Å; D1041-D1044 PolarHBondContact O-N 3.05Å; D1041-D1044 PolarHBondContact OD1-N 3.48Å; D1041-D1044 VanDerWaalsContact OD1-N 3.13Å; L1042-D1044 VanDerWaalsContact C-N 3.33Å
1045	E	90.8	Very high	94	Very high	132 Å²	132	49.9 Å²	49.9	62%	0.617	26%	0.263	S	S	*	.			trans	-94.4	138.8	173.9	-64	-170.6	169.9	0	0	110.7	N1040 D1041 S1043 V1047	N1040-E1045 CarbonylContact C-O 3.53Å; N1040-E1045 VanDerWaalsContact CA-O 3.23Å; N1040-E1045 WeakPolarHBondContact CA-O 3.44Å; D1041-E1045 PolarHBondContact N-O 3.2Å; D1041-E1045 PolarHBondContact OD1-N 2.78Å; S1043-E1045 PolarHBondContact O-N 3.11Å; E1045-V1047 PolarHBondContact O-N 3.41Å
1046	D	93.2	Very high	93.6	Very high	116 Å²	116	50.9 Å²	50.9	62%	0.62	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.5	127.9	177.7	-172.3	44.5	0	0	0	110.1
1047	V	93.3	Very high	92.4	Very high	29 Å²	29	57.4 Å²	57.4	18%	0.176	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	140.6	-177.1	-67.3	0	0	0	0	111.7	L984 C1039 D1041 E1045 V1049	L984-V1047 HydrophobicContact CD2-CG2 4.03Å; C1039-V1047 WeakPolarHBondContact O-CG2 3.35Å; C1039-V1047 PolarHBondContact O-N 3.47Å; D1041-V1047 HydrophobicContact CB-CG1 3.96Å; D1041-V1047 HydrophobicContact CB-CG2 4.13Å; E1045-V1047 PolarHBondContact O-N 3.41Å; V1047-V1049 HydrophobicContact CG2-CG1 4.15Å
1048	E	93.4	Very high	92.3	Very high	123 Å²	123	59.3 Å²	59.3	58%	0.575	30%	0.298	S	S	*	.			trans	-80.6	131.9	173.6	-159.2	-172.4	-176.1	0	0	110.3	H944 W951	H944-E1048 IonicContact CE1-OE2 3.57Å; H944-E1048 IonicContact ND1-OE2 3.28Å; H944-E1048 PolarHBondContact ND1-OE2 2.83Å; W951-E1048 HydrophobicContact CZ2-CB 4.47Å; W951-E1048 HydrophobicContact CZ2-CG 3.95Å; W951-E1048 PolarHBondContact NE1-O 2.87Å
1049	V	96.1	Very high	92.1	Very high	11 Å²	11	60.2 Å²	60.2	7%	0.067	30%	0.298	C	S	.	.			trans	-135.4	160.8	-175.4	-62.8	0	0	0	0	111	Y946 W951 F957 L984 L1037 C1039 V1047	Y946-V1049 HydrophobicContact CD1-CG1 3.95Å; Y946-V1049 HydrophobicContact CD2-CG1 4.29Å; Y946-V1049 HydrophobicContact CE1-CG1 4.45Å; Y946-V1049 HydrophobicContact CG-CG1 3.87Å; W951-V1049 VanDerWaalsContact CZ2-C 3.47Å; F957-V1049 HydrophobicContact CE2-CB 4.13Å; F957-V1049 HydrophobicContact CE2-CG2 4.34Å; L984-V1049 HydrophobicContact CD1-CB 4.45Å; L984-V1049 HydrophobicContact CD1-CG1 3.86Å; L984-V1049 HydrophobicContact CD2-CG1 4.17Å; L1037-V1049 HydrophobicContact CB-CG2 4.02Å; L1037-V1049 HydrophobicContact CD1-CG2 4.35Å; C1039-V1049 WeakPolarHBondContact SG-CG1 3.42Å; C1039-V1049 WeakPolarHBondContact SG-CG2 3.48Å; V1047-V1049 HydrophobicContact CG2-CG1 4.15Å
1050	P	96.4	Very high	92	Very high	5 Å²	5	63.5 Å²	63.5	3%	0.032	32%	0.315	C	S	.	.			trans	-56.2	152.3	174.1	-18.7	24.7	0	0	0	113.3	Y946 W951 D955 F957	Y946-P1050 HydrophobicContact CE1-CG 4.49Å; W951-P1050 HydrophobicContact CB-CG 3.86Å; W951-P1050 HydrophobicContact CD2-CB 4.28Å; W951-P1050 VanDerWaalsContact CD2-CD 3.49Å; W951-P1050 HydrophobicContact CD2-CG 3.52Å; W951-P1050 HydrophobicContact CE3-CB 3.74Å; W951-P1050 HydrophobicContact CE3-CG 3.45Å; W951-P1050 VanDerWaalsContact CE3-CG 3.45Å; W951-P1050 HydrophobicContact CG-CG 3.71Å; W951-P1050 HydrophobicContact CZ3-CB 4.07Å; W951-P1050 HydrophobicContact CZ3-CG 4.22Å; D955-P1050 HydrophobicContact CB-CG 4.4Å; F957-P1050 HydrophobicContact CD2-CB 4.13Å; F957-P1050 VanDerWaalsContact CD2-O 3.31Å; F957-P1050 WeakPolarHBondContact CD2-O 3.49Å; F957-P1050 HydrophobicContact CE2-CB 4.04Å; F957-P1050 HydrophobicContact CE2-CG 4.02Å; F957-P1050 WeakPolarHBondContact CE2-O 3.48Å; F957-P1050 HydrophobicContact CZ-CG 4.26Å
1051	Y	96.5	Very high	91.9	Very high	28 Å²	28	65.7 Å²	65.7	11%	0.11	33%	0.325	C	S	.	.			trans	-66.9	166	169.2	71.7	-87.6	0	0	0	111.7	Y590 R956 F957 V1034	Y590-Y1051 HydrophobicContact CD2-CE2 4.28Å; R956-Y1051 CarbonylContact C-O 3.59Å; R956-Y1051 WeakPolarHBondContact CA-O 3.48Å; R956-Y1051 HydrophobicContact CB-CD1 4.3Å; R956-Y1051 HydrophobicContact CB-CD2 4.1Å; R956-Y1051 HydrophobicContact CB-CE1 3.93Å; R956-Y1051 HydrophobicContact CB-CE2 3.73Å; R956-Y1051 HydrophobicContact CB-CG 4.39Å; R956-Y1051 WeakPolarHBondContact CB-O 3.45Å; R956-Y1051 HydrophobicContact CG-CE2 4.42Å; R956-Y1051 PolarHBondContact NE-OH 3.21Å; R956-Y1051 VanDerWaalsContact NE-OH 3.13Å; R956-Y1051 PolarHBondContact NH1-OH 3.19Å; R956-Y1051 PolarHBondContact NH2-OH 2.72Å; F957-Y1051 PolarHBondContact N-O 2.77Å; V1034-Y1051 HydrophobicContact CG1-CD2 3.85Å; V1034-Y1051 HydrophobicContact CG1-CG 4.41Å
1052	V	98	Very high	91.9	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127.8	179	-170.8	0	0	0	0	110.9	F957 V959 F974 F978 V1034 F1035 L1037	F957-V1052 HydrophobicContact CB-CB 4.45Å; F957-V1052 HydrophobicContact CB-CG1 4.26Å; F957-V1052 HydrophobicContact CB-CG2 4.16Å; F957-V1052 HydrophobicContact CD2-CG2 4.25Å; F957-V1052 WeakPolarHBondContact O-CA 3.36Å; V959-V1052 HydrophobicContact CB-CG1 3.9Å; V959-V1052 HydrophobicContact CG2-CG1 3.49Å; V959-V1052 VanDerWaalsContact CG2-CG1 3.49Å; F974-V1052 HydrophobicContact CE2-CG1 4.16Å; F974-V1052 HydrophobicContact CZ-CB 4.46Å; F974-V1052 HydrophobicContact CZ-CG1 4.15Å; F974-V1052 HydrophobicContact CZ-CG2 4.13Å; F978-V1052 HydrophobicContact CE1-CG2 4.35Å; F978-V1052 HydrophobicContact CE2-CG2 4.19Å; F978-V1052 HydrophobicContact CZ-CG1 4.38Å; F978-V1052 HydrophobicContact CZ-CG2 3.54Å; V1034-V1052 WeakPolarHBondContact CA-O 3.41Å; F1035-V1052 HydrophobicContact CB-CB 4.14Å; F1035-V1052 PolarHBondContact N-O 3.04Å; F1035-V1052 PolarHBondContact O-N 3.4Å; L1037-V1052 HydrophobicContact CD1-CG2 3.49Å; L1037-V1052 VanDerWaalsContact CD1-CG2 3.49Å; L1037-V1052 HydrophobicContact CD2-CG2 4.26Å; L1037-V1052 HydrophobicContact CG-CG2 3.86Å
1053	R	96.4	Very high	92	Very high	30 Å²	30	64.1 Å²	64.1	11%	0.113	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	101.1	161	176.9	172.8	177.1	160.1	-0.9	108.5	E566 Y590 R956 F957 E958 V959 A1032	E566-R1053 IonicContact OE1-CZ 2.7Å; E566-R1053 IonicContact OE1-NH1 2.64Å; E566-R1053 IonicContact OE1-NH2 3.09Å; E566-R1053 PolarHBondContact OE1-NH2 2.87Å; Y590-R1053 HydrophobicContact CE2-CG 4.42Å; R956-R1053 HydrophobicContact CG-CB 4.3Å; F957-R1053 PolarHBondContact O-N 3.44Å; E958-R1053 WeakPolarHBondContact OE2-CD 3.2Å; V959-R1053 PolarHBondContact N-O 3.17Å; A1032-R1053 HydrophobicContact CB-CG 4.05Å
1054	Y	96.7	Very high	92.3	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	103.9	176.4	-177.7	-92.6	0	0	0	110.2	V959 G961 E968 M969 F974 M1014 A1032 L1033 F1035 I1056	V959-Y1054 HydrophobicContact CB-CD2 4.23Å; V959-Y1054 HydrophobicContact CG1-CD2 3.78Å; V959-Y1054 HydrophobicContact CG1-CE2 4.15Å; V959-Y1054 CarbonylContact O-C 3.18Å; V959-Y1054 WeakPolarHBondContact O-CA 3.41Å; G961-Y1054 WeakPolarHBondContact CA-OH 3.45Å; E968-Y1054 WeakPolarHBondContact CG-OH 3.39Å; E968-Y1054 PolarHBondContact OE1-OH 2.98Å; M969-Y1054 HydrophobicContact CB-CE2 4.22Å; M969-Y1054 HydrophobicContact SD-CE2 4.31Å; F974-Y1054 HydrophobicContact CD2-CD2 4.29Å; F974-Y1054 HydrophobicContact CD2-CE2 4.39Å; F974-Y1054 HydrophobicContact CE2-CD2 4.14Å; M1014-Y1054 HydrophobicContact CB-CE1 3.91Å; M1014-Y1054 HydrophobicContact CB-CE2 4.14Å; M1014-Y1054 HydrophobicContact CG-CE2 3.84Å; A1032-Y1054 CarbonylContact C-O 3.4Å; A1032-Y1054 WeakPolarHBondContact CA-O 3.18Å; L1033-Y1054 HydrophobicContact CD1-CD1 4.42Å; L1033-Y1054 PolarHBondContact N-O 3.4Å; L1033-Y1054 PolarHBondContact O-N 3.2Å; F1035-Y1054 HydrophobicContact CD2-CG 4.26Å; F1035-Y1054 HydrophobicContact CE2-CD1 4.01Å; F1035-Y1054 AromaticContact CE2-CD2 3.86Å; F1035-Y1054 HydrophobicContact CE2-CD2 3.86Å; F1035-Y1054 AromaticContact CE2-CG 3.48Å; F1035-Y1054 HydrophobicContact CE2-CG 3.48Å; F1035-Y1054 VanDerWaalsContact CE2-CG 3.48Å; F1035-Y1054 HydrophobicContact CZ-CD1 4.29Å; F1035-Y1054 HydrophobicContact CZ-CG 4.21Å; Y1054-I1056 HydrophobicContact CD1-CG1 4.37Å; Y1054-I1056 HydrophobicContact CE1-CG1 4.5Å; Y1054-I1056 PolarHBondContact O-N 2.89Å
1055	T	93.9	Very high	92.7	Very high	36 Å²	36	58.5 Å²	58.5	22%	0.221	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	113.4	-178.4	-57.6	0	0	0	0	109.8	V959 G961 R1057	V959-T1055 PolarHBondContact O-N 3.49Å; G961-T1055 VanDerWaalsContact CA-O 3.31Å; G961-T1055 WeakPolarHBondContact CA-O 3.21Å; G961-T1055 PolarHBondContact N-O 3.35Å; T1055-R1057 VanDerWaalsContact C-N 3.33Å; T1055-R1057 WeakPolarHBondContact CG2-O 3.31Å; T1055-R1057 PolarHBondContact O-N 3.38Å
1056	I	89.6	Confident	92.9	Very high	20 Å²	20	52.4 Å²	52.4	10%	0.103	24%	0.241	C	C	.	.			trans	-69	-33.4	-175.2	-54.1	172.5	0	0	0	111	L962 T1015 L1026 V1030 K1031 L1033 Y1054	L962-I1056 WeakPolarHBondContact CG-O 3.3Å; T1015-I1056 HydrophobicContact CG2-CD1 3.95Å; T1015-I1056 HydrophobicContact CG2-CG1 3.95Å; T1015-I1056 HydrophobicContact CG2-CG2 3.8Å; L1026-I1056 HydrophobicContact CD1-CD1 4.3Å; V1030-I1056 HydrophobicContact CG1-CD1 4Å; K1031-I1056 PolarHBondContact O-N 3.21Å; L1033-I1056 HydrophobicContact CD1-CD1 4.19Å; L1033-I1056 HydrophobicContact CD1-CG1 4.35Å; L1033-I1056 HydrophobicContact CD2-CD1 4.41Å; L1033-I1056 HydrophobicContact CG-CD1 3.95Å; L1033-I1056 HydrophobicContact CG-CG1 4.21Å; Y1054-I1056 HydrophobicContact CD1-CG1 4.37Å; Y1054-I1056 HydrophobicContact CE1-CG1 4.5Å; Y1054-I1056 PolarHBondContact O-N 2.89Å
1057	R	70.9	Confident	92.8	Very high	231 Å²	231	46.6 Å²	46.6	87%	0.872	21%	0.206	S	C	*	.			trans	-138.8	0	-173.6	-64.9	-175.2	-177.9	176.3	-0.6	113.2	T1055	T1055-R1057 VanDerWaalsContact C-N 3.33Å; T1055-R1057 WeakPolarHBondContact CG2-O 3.31Å; T1055-R1057 PolarHBondContact O-N 3.38Å

Retrieved 1,057 of 1,057 residues in 324.2 ms (Link to these results)

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