A0A3Q0KNH6_SCHMA Loading...

Putative striatin AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KNH6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 870 aa.

						>A0A3Q0KNH6_SCHMA|A0A3Q0KNH6
MDTECFSRPTTSVNFQRDAEGAAETFPSIQTKTNFYTMAGILDFLQLEWSRMQSERTQWDVERAELHARIAFLQGKFRGLECLRNDLIRRIKMLEYALIRERSNKTQDGQSKENEENMISVHFSRSDSGTDHSKTNVDSEWQNENIQLSKYLIDSTSSNVSHTFGNPALCDASGVSLLVSDGLSSETNVLQGSLKYDDSELKGLQNSLELPIEHCGLEQNKQSQDGPFDFSLSNSSSFDYLALTEEGDLTSTIESQCITDPETAEALLEFEQLVAQSPCLDKTPSIEHINHTLLKHNESLHKDWDNLNEQELLQRFEEQYRADRSHVKSSHLSLHFPLISNVKLKESLNIDDKKLKIISLPNDLNVQQSSYGSNNNSDRPINFDAVEDELDNILPNFDMLINQKHQHHHQQRNVPKNEILHNSSITTTNTTTTTTTTSNILSNQLNSTNESTLRLEDLANLSNMSKSEFNSKQAHAVALAMDNLDGMSECLINRSSNEKINQSTPTQKPATWTAKYTLRSHFDAIRDICFHPSESVLVTCSEDHTLKLWNLNKTVQTKKSSMFDVEPIYTFRGHNSPVLSVAMVPSLLKVDNSCQSGLMLSPIYIYSGDLSGCIRSWCVSNLQLDPYDTFDKAMMGPIFEGHTDAVWSLCSRYDGLLLSTSSDGTSRLWHLRPNSFVSSDVYYISKILNKCENISQQDSTPTSATFLSTNLAQFAAGFNSGHVCLFNLETHQIVRNFQSINKTDVSDTSQDANVYSVNSVISHPHLSLIISAHDDRQIRFWDSLSGKCVHSLTAHLDSVTTLSLNSKGTLLLSASHDCSIRIWDINTKLCIQEITGHRKKFGEAINAVAFHPTQHFMASAGSDALAKVYV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	48.2	Very low	42.9	Very low	145 Å²	145	121.8 Å²	121.8	71%	0.714	65%	0.652	S	S	*	*				0	106.7	0	-79.5	-169.8	-174.4	0	0	105.9
2	D	47.7	Very low	42.1	Very low	117 Å²	117	120.2 Å²	120.2	63%	0.626	66%	0.657	S	S	*	*			trans	-66.5	165.1	-167.2	-62.4	-46.3	0	0	0	112.4	E4 C5	D2-E4 PolarHBondContact O-N 3.48Å; D2-C5 PolarHBondContact O-N 3.32Å
3	T	55.2	Low	41.3	Very low	111 Å²	111	120.8 Å²	120.8	68%	0.681	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-63.2	2.3	-168.9	53.1	0	0	0	0	115.3	C5 F6	T3-C5 VanDerWaalsContact C-N 3.32Å; T3-C5 PolarHBondContact O-N 3.17Å; T3-F6 VanDerWaalsContact CA-CE2 3.47Å; T3-F6 HydrophobicContact CG2-CD2 4.36Å; T3-F6 HydrophobicContact CG2-CE2 3.87Å; T3-F6 WeakPolarHBondContact O-CD2 3.5Å
4	E	51.1	Low	40.4	Very low	152 Å²	152	123 Å²	123	71%	0.71	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-78.4	-12.9	-179.9	-62.7	-167.4	158.7	0	0	113.5	D2 F6	D2-E4 PolarHBondContact O-N 3.48Å; E4-F6 PolarHBondContact O-N 3.17Å
5	C	43.6	Very low	39.8	Very low	5 Å²	5	128.3 Å²	128.3	3%	0.034	69%	0.691	C	S	.	*	G	3₁₀ helix	trans	-76.6	4.1	173.7	-60.2	0	0	0	0	114.2	D2 T3 Y36	D2-C5 PolarHBondContact O-N 3.32Å; T3-C5 VanDerWaalsContact C-N 3.32Å; T3-C5 PolarHBondContact O-N 3.17Å; C5-Y36 HydrophobicContact CB-CD1 4.07Å; C5-Y36 HydrophobicContact CB-CE1 4.41Å
6	F	44.2	Very low	39	Very low	83 Å²	83	131.7 Å²	131.7	36%	0.364	70%	0.701	S	S	.	*	S	Bend	trans	-95.2	126.3	-172.9	-60.9	-49.4	0	0	0	113	T3 E4 R8 N34	T3-F6 VanDerWaalsContact CA-CE2 3.47Å; T3-F6 HydrophobicContact CG2-CD2 4.36Å; T3-F6 HydrophobicContact CG2-CE2 3.87Å; T3-F6 WeakPolarHBondContact O-CD2 3.5Å; E4-F6 PolarHBondContact O-N 3.17Å; F6-R8 PolarHBondContact O-N 3.33Å; F6-N34 HydrophobicContact CD1-CB 4.01Å; F6-N34 HydrophobicContact CE1-CB 3.62Å; F6-N34 HydrophobicContact CZ-CB 4.43Å
7	S	42.7	Very low	38.5	Very low	100 Å²	100	138.2 Å²	138.2	70%	0.699	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-58.3	129.5	-178.5	56.3	0	0	0	0	113.3
8	R	36.4	Very low	38.1	Very low	231 Å²	231	139.3 Å²	139.3	87%	0.872	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-63.7	139.9	165	-80.2	179.4	172.5	172.8	-2.3	110.5	F6 T10	F6-R8 PolarHBondContact O-N 3.33Å; R8-T10 PolarHBondContact O-N 3.37Å
9	P	37.9	Very low	37.6	Very low	123 Å²	123	136.9 Å²	136.9	80%	0.799	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-71.2	123.7	-174.5	26.8	-29.1	0	0	0	110.7	T11	P9-T11 PolarHBondContact O-N 3.29Å
10	T	34.5	Very low	37.2	Very low	135 Å²	135	140.2 Å²	140.2	83%	0.828	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-65.3	119	171.7	35	0	0	0	0	109.8	R8 S12	R8-T10 PolarHBondContact O-N 3.37Å; T10-S12 PolarHBondContact O-N 3.38Å
11	T	31	Very low	36.9	Very low	138 Å²	138	137.3 Å²	137.3	85%	0.847	74%	0.74	S	S	*	*			trans	-65.2	96.5	173.6	29.3	0	0	0	0	110.2	P9 V13	P9-T11 PolarHBondContact O-N 3.29Å; T11-V13 PolarHBondContact O-N 3.1Å
12	S	32.4	Very low	36	Very low	102 Å²	102	135.6 Å²	135.6	71%	0.713	75%	0.748	S	S	*	*			trans	-76	119	168.1	58.3	0	0	0	0	109.9	T10 N14	T10-S12 PolarHBondContact O-N 3.38Å; S12-N14 PolarHBondContact O-N 3Å
13	V	32.1	Very low	35.3	Very low	129 Å²	129	134.1 Å²	134.1	78%	0.782	75%	0.753	S	S	*	*			trans	-65.9	114.6	179.7	179.4	0	0	0	0	110.1	T11 F15	T11-V13 PolarHBondContact O-N 3.1Å; V13-F15 PolarHBondContact O-N 3.14Å
14	N	29.1	Very low	34.1	Very low	151 Å²	151	138.1 Å²	138.1	81%	0.807	76%	0.763	S	S	*	*			trans	-72.2	118.2	175.9	-87.4	-23.6	0	0	0	111	S12	S12-N14 PolarHBondContact O-N 3Å
15	F	30.9	Very low	33.2	Very low	202 Å²	202	137 Å²	137	89%	0.886	77%	0.767	S	S	*	*			trans	-83.7	112.9	160.6	-95	-86.2	0	0	0	109.3	V13 R17	V13-F15 PolarHBondContact O-N 3.14Å; F15-R17 PolarHBondContact O-N 2.81Å
16	Q	26.5	Very low	32.5	Very low	183 Å²	183	146.1 Å²	146.1	86%	0.855	81%	0.807	S	S	*	*			trans	-59.9	123.4	174.6	-128.7	153.9	-25.1	0	0	110.7
17	R	30.5	Very low	32.1	Very low	242 Å²	242	148 Å²	148	91%	0.913	83%	0.828	S	S	*	*			trans	-135.2	135.7	157.3	-103.8	-175.1	-177.7	174.5	1.4	109.2	F15	F15-R17 PolarHBondContact O-N 2.81Å
18	D	31.4	Very low	31.6	Very low	158 Å²	158	148.1 Å²	148.1	85%	0.845	83%	0.828	S	S	*	*			trans	-65.4	151.4	-157.8	-62.8	-57.2	0	0	0	115.2
19	A	29.3	Very low	31.5	Very low	95 Å²	95	145 Å²	145	79%	0.785	83%	0.827	S	S	*	*			trans	-64.6	138.1	-177.4	0	0	0	0	0	113
20	E	28.9	Very low	31.3	Very low	201 Å²	201	147.4 Å²	147.4	94%	0.939	83%	0.827	S	S	*	*			trans	-171	128.7	139.6	-106.3	171.7	-157.5	0	0	109
21	G	31.9	Very low	31.4	Very low	81 Å²	81	146.9 Å²	146.9	84%	0.835	82%	0.824	S	S	*	*			trans	121	93.5	166.5	0	0	0	0	0	115.2
22	A	29.6	Very low	32	Very low	108 Å²	108	148.9 Å²	148.9	89%	0.893	82%	0.821	S	S	*	*			trans	-68.9	127.9	171	0	0	0	0	0	111.9
23	A	32.8	Very low	32.5	Very low	87 Å²	87	149 Å²	149	72%	0.719	82%	0.817	S	S	*	*			trans	-153.1	109.2	157.6	0	0	0	0	0	109.3	T25	A23-T25 PolarHBondContact O-N 3.26Å
24	E	28.4	Very low	33.4	Very low	194 Å²	194	147.3 Å²	147.3	91%	0.907	80%	0.804	S	S	*	*			trans	-61.2	117.8	173.5	-67.2	177.1	157	0	0	109.9
25	T	33.7	Very low	34.9	Very low	129 Å²	129	148 Å²	148	79%	0.791	80%	0.8	S	S	*	*			trans	-136.8	120.3	167.7	-18.6	0	0	0	0	109.6	A23	A23-T25 PolarHBondContact O-N 3.26Å
26	F	28.2	Very low	36.8	Very low	196 Å²	196	144.7 Å²	144.7	86%	0.86	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-62.2	133	-176.9	-71.8	-91.3	0	0	0	112.1	S28	F26-S28 PolarHBondContact O-N 3.36Å
27	P	35.1	Very low	39.8	Very low	124 Å²	124	139 Å²	139	81%	0.805	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-80.5	121.1	-178.7	30.5	-31.6	0	0	0	111.5
28	S	33.8	Very low	42.3	Very low	101 Å²	101	134 Å²	134	71%	0.706	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-60.8	137.3	170.9	51.2	0	0	0	0	112.7	F26 Q30	F26-S28 PolarHBondContact O-N 3.36Å; S28-Q30 PolarHBondContact O-N 3.5Å
29	I	32.8	Very low	45	Very low	165 Å²	165	129.4 Å²	129.4	85%	0.846	73%	0.733	S	S	*	*			trans	-58.3	110.5	177	-63.8	160.4	0	0	0	110.1
30	Q	34.8	Very low	47.8	Very low	174 Å²	174	125.4 Å²	125.4	81%	0.813	70%	0.702	S	S	*	*			trans	-85.1	113.4	171.6	-72.7	-177.7	-5	0	0	109.7	S28 K32	S28-Q30 PolarHBondContact O-N 3.5Å; Q30-K32 PolarHBondContact O-N 3.23Å; Q30-K32 VanDerWaalsContact O-N 3.16Å
31	T	36.6	Very low	50.7	Low	124 Å²	124	118.6 Å²	118.6	76%	0.761	67%	0.671	S	S	*	*			trans	-65.3	105.3	168.6	43.9	0	0	0	0	109.8	T33	T31-T33 PolarHBondContact O-N 3.12Å
32	K	42.5	Very low	53.5	Low	181 Å²	181	119.1 Å²	119.1	79%	0.787	65%	0.654	S	S	*	*			trans	-72.4	100.9	173.9	-72.8	-177.1	177.2	178.6	0	110.1	Q30 N34	Q30-K32 PolarHBondContact O-N 3.23Å; Q30-K32 VanDerWaalsContact O-N 3.16Å; K32-N34 PolarHBondContact O-N 3.38Å
33	T	44.1	Very low	56.3	Low	103 Å²	103	119.1 Å²	119.1	63%	0.632	64%	0.639	S	S	*	*			trans	-80.7	99.6	162.3	51.1	0	0	0	0	108	T31 F35	T31-T33 PolarHBondContact O-N 3.12Å; T33-F35 WeakPolarHBondContact O-CD2 3.49Å; T33-F35 PolarHBondContact O-N 3.19Å; T33-F35 WeakPolarHBondContact OG1-CE2 3.38Å
34	N	49.5	Very low	59.1	Low	95 Å²	95	117.1 Å²	117.1	51%	0.508	61%	0.614	S	S	.	*			trans	-78.3	113	-179.5	-67.7	-21.3	0	0	0	109.9	F6 K32	F6-N34 HydrophobicContact CD1-CB 4.01Å; F6-N34 HydrophobicContact CE1-CB 3.62Å; F6-N34 HydrophobicContact CZ-CB 4.43Å; K32-N34 PolarHBondContact O-N 3.38Å
35	F	60.6	Low	62.2	Low	165 Å²	165	112.7 Å²	112.7	72%	0.724	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-92.6	136	177.2	-68	-82.5	0	0	0	111.3	T33	T33-F35 WeakPolarHBondContact O-CD2 3.49Å; T33-F35 PolarHBondContact O-N 3.19Å; T33-F35 WeakPolarHBondContact OG1-CE2 3.38Å
36	Y	72.7	Confident	65	Low	133 Å²	133	112.7 Å²	112.7	52%	0.522	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-67.8	136.2	170.6	-63.6	-80.5	0	0	0	110.5	C5	C5-Y36 HydrophobicContact CB-CD1 4.07Å; C5-Y36 HydrophobicContact CB-CE1 4.41Å
37	T	87.7	Confident	68	Low	64 Å²	64	107.9 Å²	107.9	39%	0.393	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-103.7	142.2	172.4	65.2	0	0	0	0	109.7	A39 G40 I41	T37-A39 PolarHBondContact O-N 3.02Å; T37-G40 PolarHBondContact O-N 2.98Å; T37-G40 PolarHBondContact OG1-N 3.27Å; T37-I41 PolarHBondContact O-N 3.45Å
38	M	84.7	Confident	70.8	Confident	137 Å²	137	104.2 Å²	104.2	68%	0.675	54%	0.542	S	S	*	.	H	α-helix	trans	-55.5	-35.6	178.6	-176.7	66.2	-177.3	0	0	112.3	I41 L42	M38-I41 PolarHBondContact O-N 2.76Å; M38-L42 HydrophobicContact CE-CD1 4.09Å; M38-L42 HydrophobicContact CE-CD2 4.47Å; M38-L42 HydrophobicContact CE-CG 4.19Å; M38-L42 HydrophobicContact CG-CD1 4.26Å; M38-L42 PolarHBondContact O-N 2.8Å; M38-L42 VanDerWaalsContact O-N 3.07Å
39	A	88.1	Confident	73.5	Confident	60 Å²	60	107.6 Å²	107.6	50%	0.496	54%	0.54	S	S	.	.	H	α-helix	trans	-61.8	-47.4	175.4	0	0	0	0	0	111.8	T37 I41 L42 D43	T37-A39 PolarHBondContact O-N 3.02Å; A39-I41 VanDerWaalsContact C-N 3.3Å; A39-I41 PolarHBondContact O-N 3.41Å; A39-L42 PolarHBondContact O-N 3.33Å; A39-D43 PolarHBondContact O-N 3.14Å
40	G	86.8	Confident	76.4	Confident	12 Å²	12	102.7 Å²	102.7	12%	0.124	52%	0.52	C	S	.	.	H	α-helix	trans	-65.3	-29.9	178.5	0	0	0	0	0	114.1	T37 F44	T37-G40 PolarHBondContact O-N 2.98Å; T37-G40 PolarHBondContact OG1-N 3.27Å; G40-F44 WeakPolarHBondContact O-CB 2.85Å; G40-F44 PolarHBondContact O-N 2.94Å
41	I	90.4	Very high	79.2	Confident	57 Å²	57	99.8 Å²	99.8	29%	0.292	50%	0.502	S	S	.	.	H	α-helix	trans	-71.4	-42	174	-61.4	170.9	0	0	0	110.6	T37 M38 A39 F44 L45	T37-I41 PolarHBondContact O-N 3.45Å; M38-I41 PolarHBondContact O-N 2.76Å; A39-I41 VanDerWaalsContact C-N 3.3Å; A39-I41 PolarHBondContact O-N 3.41Å; I41-F44 PolarHBondContact O-N 3.36Å; I41-L45 HydrophobicContact CG2-CD1 4.14Å; I41-L45 WeakPolarHBondContact O-CG 3.29Å; I41-L45 PolarHBondContact O-N 3.36Å
42	L	90.6	Very high	81.8	Confident	92 Å²	92	99.3 Å²	99.3	48%	0.482	49%	0.492	S	S	.	.	H	α-helix	trans	-64.5	-44.4	178	-79.1	167	0	0	0	111.9	M38 A39 F44 L45 Q46	M38-L42 HydrophobicContact CE-CD1 4.09Å; M38-L42 HydrophobicContact CE-CD2 4.47Å; M38-L42 HydrophobicContact CE-CG 4.19Å; M38-L42 HydrophobicContact CG-CD1 4.26Å; M38-L42 PolarHBondContact O-N 2.8Å; M38-L42 VanDerWaalsContact O-N 3.07Å; A39-L42 PolarHBondContact O-N 3.33Å; L42-F44 VanDerWaalsContact C-N 3.33Å; L42-F44 PolarHBondContact O-N 3.26Å; L42-L45 PolarHBondContact O-N 2.78Å; L42-Q46 WeakPolarHBondContact O-CB 3.46Å; L42-Q46 PolarHBondContact O-N 3.19Å
43	D	89.1	Confident	84.1	Confident	109 Å²	109	94.5 Å²	94.5	58%	0.583	47%	0.472	S	S	*	.	H	α-helix	trans	-61.1	-43.2	177.2	-71.2	-14.4	0	0	0	111.1	A39 Q46 L47	A39-D43 PolarHBondContact O-N 3.14Å; D43-Q46 PolarHBondContact O-N 2.98Å; D43-L47 WeakPolarHBondContact O-CB 3.24Å; D43-L47 PolarHBondContact O-N 2.94Å
44	F	90.9	Very high	86.3	Confident	44 Å²	44	93 Å²	93	19%	0.193	47%	0.466	C	S	.	.	H	α-helix	trans	-60.3	-48.7	174.9	176.5	-99.4	0	0	0	112	G40 I41 L42 Q46 L47 E48	G40-F44 WeakPolarHBondContact O-CB 2.85Å; G40-F44 PolarHBondContact O-N 2.94Å; I41-F44 PolarHBondContact O-N 3.36Å; L42-F44 VanDerWaalsContact C-N 3.33Å; L42-F44 PolarHBondContact O-N 3.26Å; F44-Q46 VanDerWaalsContact C-N 3.27Å; F44-Q46 PolarHBondContact O-N 3.21Å; F44-L47 WeakPolarHBondContact O-CB 3.47Å; F44-L47 PolarHBondContact O-N 2.94Å; F44-E48 HydrophobicContact CD1-CG 4.04Å; F44-E48 HydrophobicContact CD2-CG 4.36Å; F44-E48 HydrophobicContact CE1-CG 3.55Å; F44-E48 HydrophobicContact CE2-CG 3.91Å; F44-E48 HydrophobicContact CG-CG 4.42Å; F44-E48 HydrophobicContact CZ-CG 3.47Å; F44-E48 VanDerWaalsContact CZ-CG 3.47Å; F44-E48 WeakPolarHBondContact O-CG 3.44Å; F44-E48 PolarHBondContact O-N 3.37Å
45	L	93.7	Very high	88.4	Confident	102 Å²	102	92.5 Å²	92.5	53%	0.534	46%	0.461	S	S	.	.	H	α-helix	trans	-61.4	-36.3	178.7	-73.3	172.6	0	0	0	112.3	I41 L42 W49	I41-L45 HydrophobicContact CG2-CD1 4.14Å; I41-L45 WeakPolarHBondContact O-CG 3.29Å; I41-L45 PolarHBondContact O-N 3.36Å; L42-L45 PolarHBondContact O-N 2.78Å; L45-W49 VanDerWaalsContact O-CB 3.27Å; L45-W49 WeakPolarHBondContact O-CB 3.29Å; L45-W49 PolarHBondContact O-N 3.43Å
46	Q	91.5	Very high	89.9	Confident	129 Å²	129	91.9 Å²	91.9	60%	0.603	45%	0.454	S	S	*	.	H	α-helix	trans	-69.5	-37	177	-170.9	170.3	-8.9	0	0	112.1	L42 D43 F44 S50	L42-Q46 WeakPolarHBondContact O-CB 3.46Å; L42-Q46 PolarHBondContact O-N 3.19Å; D43-Q46 PolarHBondContact O-N 2.98Å; F44-Q46 VanDerWaalsContact C-N 3.27Å; F44-Q46 PolarHBondContact O-N 3.21Å; Q46-S50 WeakPolarHBondContact O-CB 3.34Å; Q46-S50 PolarHBondContact O-N 2.96Å; Q46-S50 PolarHBondContact O-OG 3.3Å
47	L	92.3	Very high	90.8	Very high	95 Å²	95	88.9 Å²	88.9	50%	0.497	45%	0.449	S	S	.	.	H	α-helix	trans	-66.5	-48.1	174	-168.4	117.6	0	0	0	111.5	D43 F44 W49 S50 R51	D43-L47 WeakPolarHBondContact O-CB 3.24Å; D43-L47 PolarHBondContact O-N 2.94Å; F44-L47 WeakPolarHBondContact O-CB 3.47Å; F44-L47 PolarHBondContact O-N 2.94Å; L47-W49 VanDerWaalsContact C-N 3.32Å; L47-W49 PolarHBondContact O-N 3.14Å; L47-S50 PolarHBondContact O-N 3.32Å; L47-R51 PolarHBondContact O-N 2.8Å
48	E	93.8	Very high	91	Very high	46 Å²	46	91 Å²	91	22%	0.215	46%	0.455	C	S	.	.	H	α-helix	trans	-57.7	-44.7	175.2	-72.8	-63.7	123.8	0	0	111.7	F44 S50 R51 M52	F44-E48 HydrophobicContact CD1-CG 4.04Å; F44-E48 HydrophobicContact CD2-CG 4.36Å; F44-E48 HydrophobicContact CE1-CG 3.55Å; F44-E48 HydrophobicContact CE2-CG 3.91Å; F44-E48 HydrophobicContact CG-CG 4.42Å; F44-E48 HydrophobicContact CZ-CG 3.47Å; F44-E48 VanDerWaalsContact CZ-CG 3.47Å; F44-E48 WeakPolarHBondContact O-CG 3.44Å; F44-E48 PolarHBondContact O-N 3.37Å; E48-S50 VanDerWaalsContact C-N 3.35Å; E48-S50 PolarHBondContact O-N 3.36Å; E48-R51 VanDerWaalsContact CD-NH1 3.31Å; E48-R51 PolarHBondContact O-N 3.38Å; E48-R51 IonicContact OE1-CZ 3.33Å; E48-R51 IonicContact OE1-NH1 3.36Å; E48-R51 PolarHBondContact OE1-NH1 2.99Å; E48-R51 IonicContact OE1-NH2 2.66Å; E48-R51 IonicContact OE2-CZ 3.52Å; E48-R51 IonicContact OE2-NH1 2.89Å; E48-R51 PolarHBondContact OE2-NH1 3.41Å; E48-R51 IonicContact OE2-NH2 3.83Å; E48-R51 PolarHBondContact OE2-NH2 3.03Å; E48-M52 WeakPolarHBondContact O-CB 3.41Å; E48-M52 WeakPolarHBondContact O-CG 3.14Å; E48-M52 PolarHBondContact O-N 2.72Å
49	W	91.5	Very high	91.4	Very high	172 Å²	172	93 Å²	93	65%	0.652	46%	0.455	S	S	*	.	H	α-helix	trans	-64.4	-40.7	178.1	-171.5	79.9	0	0	0	111.9	L45 L47 M52 Q53	L45-W49 VanDerWaalsContact O-CB 3.27Å; L45-W49 WeakPolarHBondContact O-CB 3.29Å; L45-W49 PolarHBondContact O-N 3.43Å; L47-W49 VanDerWaalsContact C-N 3.32Å; L47-W49 PolarHBondContact O-N 3.14Å; W49-M52 PolarHBondContact O-N 2.77Å; W49-Q53 WeakPolarHBondContact O-CB 3.46Å; W49-Q53 PolarHBondContact O-N 3.31Å
50	S	93	Very high	91.5	Very high	62 Å²	62	94.6 Å²	94.6	43%	0.434	46%	0.455	S	S	.	.	H	α-helix	trans	-64.7	-40.8	176.3	-57.6	0	0	0	0	111.7	Q46 L47 E48 Q53 S54	Q46-S50 WeakPolarHBondContact O-CB 3.34Å; Q46-S50 PolarHBondContact O-N 2.96Å; Q46-S50 PolarHBondContact O-OG 3.3Å; L47-S50 PolarHBondContact O-N 3.32Å; E48-S50 VanDerWaalsContact C-N 3.35Å; E48-S50 PolarHBondContact O-N 3.36Å; S50-Q53 PolarHBondContact O-N 3.22Å; S50-S54 PolarHBondContact O-N 3.26Å
51	R	93	Very high	91.7	Very high	114 Å²	114	98.7 Å²	98.7	43%	0.43	48%	0.477	S	S	.	.	H	α-helix	trans	-62.6	-50.6	174.6	-170.6	-179.1	76	-124.7	-6.7	111.3	L47 E48 Q53 S54 E55	L47-R51 PolarHBondContact O-N 2.8Å; E48-R51 VanDerWaalsContact CD-NH1 3.31Å; E48-R51 PolarHBondContact O-N 3.38Å; E48-R51 IonicContact OE1-CZ 3.33Å; E48-R51 IonicContact OE1-NH1 3.36Å; E48-R51 PolarHBondContact OE1-NH1 2.99Å; E48-R51 IonicContact OE1-NH2 2.66Å; E48-R51 IonicContact OE2-CZ 3.52Å; E48-R51 IonicContact OE2-NH1 2.89Å; E48-R51 PolarHBondContact OE2-NH1 3.41Å; E48-R51 IonicContact OE2-NH2 3.83Å; E48-R51 PolarHBondContact OE2-NH2 3.03Å; R51-Q53 PolarHBondContact O-N 2.77Å; R51-S54 WeakPolarHBondContact O-CB 3.4Å; R51-S54 PolarHBondContact O-N 2.94Å; R51-S54 VanDerWaalsContact O-N 3.1Å; R51-E55 IonicContact NE-OE1 3.54Å; R51-E55 PolarHBondContact O-N 2.96Å
52	M	91.6	Very high	91.8	Very high	113 Å²	113	99.6 Å²	99.6	56%	0.557	48%	0.481	S	S	*	.	H	α-helix	trans	-59.1	-36.5	177.8	-75.1	-158.6	81.9	0	0	112.5	E48 W49 R56	E48-M52 WeakPolarHBondContact O-CB 3.41Å; E48-M52 WeakPolarHBondContact O-CG 3.14Å; E48-M52 PolarHBondContact O-N 2.72Å; W49-M52 PolarHBondContact O-N 2.77Å; M52-R56 WeakPolarHBondContact O-CB 3.03Å; M52-R56 PolarHBondContact O-N 3.36Å
53	Q	90.8	Very high	91.9	Very high	80 Å²	80	102.8 Å²	102.8	37%	0.374	49%	0.486	S	S	.	.	H	α-helix	trans	-69.8	-38.9	177.4	-170.2	61.5	20.2	0	0	111.7	W49 S50 R51 R56 T57	W49-Q53 WeakPolarHBondContact O-CB 3.46Å; W49-Q53 PolarHBondContact O-N 3.31Å; S50-Q53 PolarHBondContact O-N 3.22Å; R51-Q53 PolarHBondContact O-N 2.77Å; Q53-R56 PolarHBondContact O-N 3.23Å; Q53-T57 PolarHBondContact O-N 3.35Å; Q53-T57 PolarHBondContact O-OG1 3.19Å
54	S	89.8	Confident	92	Very high	73 Å²	73	100.4 Å²	100.4	51%	0.51	48%	0.481	S	S	.	.	H	α-helix	trans	-62.9	-45.4	173.7	-171.1	0	0	0	0	111.8	S50 R51 R56 T57 Q58	S50-S54 PolarHBondContact O-N 3.26Å; R51-S54 WeakPolarHBondContact O-CB 3.4Å; R51-S54 PolarHBondContact O-N 2.94Å; R51-S54 VanDerWaalsContact O-N 3.1Å; S54-R56 PolarHBondContact O-N 3.36Å; S54-T57 WeakPolarHBondContact CA-OG1 3.46Å; S54-T57 PolarHBondContact O-N 3.37Å; S54-T57 PolarHBondContact O-OG1 3.24Å; S54-Q58 PolarHBondContact O-N 3.39Å
55	E	93	Very high	92	Very high	83 Å²	83	104.8 Å²	104.8	39%	0.388	50%	0.503	S	S	.	.	H	α-helix	trans	-58.1	-48.9	174.7	-72.5	171.4	-163.7	0	0	110.3	R51 T57 Q58 W59	R51-E55 IonicContact NE-OE1 3.54Å; R51-E55 PolarHBondContact O-N 2.96Å; E55-T57 VanDerWaalsContact C-N 3.29Å; E55-T57 PolarHBondContact O-N 3.25Å; E55-Q58 WeakPolarHBondContact O-CB 3.34Å; E55-Q58 PolarHBondContact O-N 3.42Å; E55-W59 PolarHBondContact O-N 2.97Å
56	R	92.7	Very high	92.1	Very high	153 Å²	153	105.5 Å²	105.5	58%	0.577	51%	0.506	S	S	*	.	H	α-helix	trans	-54.6	-44.6	176.6	-177.8	-175.3	-65.1	-89.2	-2.5	112.3	M52 Q53 S54 Q58 W59 D60	M52-R56 WeakPolarHBondContact O-CB 3.03Å; M52-R56 PolarHBondContact O-N 3.36Å; Q53-R56 PolarHBondContact O-N 3.23Å; S54-R56 PolarHBondContact O-N 3.36Å; R56-Q58 VanDerWaalsContact C-N 3.34Å; R56-Q58 PolarHBondContact O-N 3.15Å; R56-W59 PolarHBondContact O-N 2.74Å; R56-D60 PolarHBondContact O-N 3.35Å
57	T	92	Very high	91.9	Very high	70 Å²	70	104.5 Å²	104.5	43%	0.429	50%	0.502	S	S	.	.	H	α-helix	trans	-65.6	-36.4	178.1	49.4	0	0	0	0	112.8	Q53 S54 E55 D60 V61	Q53-T57 PolarHBondContact O-N 3.35Å; Q53-T57 PolarHBondContact O-OG1 3.19Å; S54-T57 WeakPolarHBondContact CA-OG1 3.46Å; S54-T57 PolarHBondContact O-N 3.37Å; S54-T57 PolarHBondContact O-OG1 3.24Å; E55-T57 VanDerWaalsContact C-N 3.29Å; E55-T57 PolarHBondContact O-N 3.25Å; T57-D60 PolarHBondContact O-N 3.38Å; T57-V61 WeakPolarHBondContact O-CG2 3.46Å; T57-V61 PolarHBondContact O-N 3.42Å; T57-V61 VanDerWaalsContact O-N 3.1Å
58	Q	91.7	Very high	91.8	Very high	109 Å²	109	103 Å²	103	51%	0.509	50%	0.502	S	S	.	.	H	α-helix	trans	-63.3	-46.4	174.6	-179	179.3	-12.5	0	0	111.2	S54 E55 R56 D60 V61 E62	S54-Q58 PolarHBondContact O-N 3.39Å; E55-Q58 WeakPolarHBondContact O-CB 3.34Å; E55-Q58 PolarHBondContact O-N 3.42Å; R56-Q58 VanDerWaalsContact C-N 3.34Å; R56-Q58 PolarHBondContact O-N 3.15Å; Q58-D60 VanDerWaalsContact C-N 3.3Å; Q58-D60 PolarHBondContact O-N 3.28Å; Q58-V61 WeakPolarHBondContact O-CB 3.46Å; Q58-V61 PolarHBondContact O-N 3.21Å; Q58-V61 VanDerWaalsContact O-N 3.12Å; Q58-E62 PolarHBondContact NE2-OE1 3.33Å; Q58-E62 VanDerWaalsContact NE2-OE1 3.08Å; Q58-E62 PolarHBondContact O-N 2.8Å
59	W	93.4	Very high	91.7	Very high	178 Å²	178	107.1 Å²	107.1	67%	0.674	52%	0.516	S	S	*	.	H	α-helix	trans	-60.4	-37.8	176.2	-81.4	94.3	0	0	0	112.8	E55 R56 V61 R63	E55-W59 PolarHBondContact O-N 2.97Å; R56-W59 PolarHBondContact O-N 2.74Å; W59-V61 VanDerWaalsContact C-N 3.34Å; W59-R63 VanDerWaalsContact O-CB 3.24Å; W59-R63 WeakPolarHBondContact O-CB 3.46Å; W59-R63 PolarHBondContact O-N 2.95Å
60	D	89.5	Confident	91.7	Very high	94 Å²	94	103 Å²	103	50%	0.503	51%	0.506	S	S	.	.	H	α-helix	trans	-66.9	-35.1	176.1	-76.6	-29.9	0	0	0	112.2	R56 T57 Q58 A64	R56-D60 PolarHBondContact O-N 3.35Å; T57-D60 PolarHBondContact O-N 3.38Å; Q58-D60 VanDerWaalsContact C-N 3.3Å; Q58-D60 PolarHBondContact O-N 3.28Å; D60-A64 WeakPolarHBondContact O-CB 3.26Å; D60-A64 PolarHBondContact O-N 3.47Å
61	V	92	Very high	91.5	Very high	97 Å²	97	102.8 Å²	102.8	59%	0.588	51%	0.508	S	S	*	.	H	α-helix	trans	-68.1	-50	174.8	171.7	0	0	0	0	111.2	T57 Q58 W59 R63 A64 E65	T57-V61 WeakPolarHBondContact O-CG2 3.46Å; T57-V61 PolarHBondContact O-N 3.42Å; T57-V61 VanDerWaalsContact O-N 3.1Å; Q58-V61 WeakPolarHBondContact O-CB 3.46Å; Q58-V61 PolarHBondContact O-N 3.21Å; Q58-V61 VanDerWaalsContact O-N 3.12Å; W59-V61 VanDerWaalsContact C-N 3.34Å; V61-R63 VanDerWaalsContact C-N 3.27Å; V61-R63 PolarHBondContact O-N 3.03Å; V61-A64 WeakPolarHBondContact O-CB 3.39Å; V61-A64 PolarHBondContact O-N 2.85Å; V61-E65 PolarHBondContact O-N 3.49Å
62	E	93.1	Very high	91.4	Very high	77 Å²	77	102.1 Å²	102.1	36%	0.36	51%	0.508	S	S	.	.	H	α-helix	trans	-59.5	-40.3	178.1	-70.7	175.9	-166.8	0	0	111.2	Q58 A64 E65 L66	Q58-E62 PolarHBondContact NE2-OE1 3.33Å; Q58-E62 VanDerWaalsContact NE2-OE1 3.08Å; Q58-E62 PolarHBondContact O-N 2.8Å; E62-A64 PolarHBondContact O-N 3.48Å; E62-E65 PolarHBondContact O-N 2.83Å; E62-L66 WeakPolarHBondContact O-CG 3.23Å; E62-L66 PolarHBondContact O-N 2.9Å
63	R	92.6	Very high	91.5	Very high	158 Å²	158	101 Å²	101	60%	0.596	50%	0.504	S	S	*	.	H	α-helix	trans	-62.6	-41.6	174.4	-179.5	178.8	179	177.3	4.1	112.3	W59 V61 E65 H67	W59-R63 VanDerWaalsContact O-CB 3.24Å; W59-R63 WeakPolarHBondContact O-CB 3.46Å; W59-R63 PolarHBondContact O-N 2.95Å; V61-R63 VanDerWaalsContact C-N 3.27Å; V61-R63 PolarHBondContact O-N 3.03Å; R63-E65 VanDerWaalsContact C-N 3.35Å; R63-H67 WeakPolarHBondContact O-CB 3.45Å; R63-H67 PolarHBondContact O-CD2 2.73Å; R63-H67 VanDerWaalsContact O-CD2 3.29Å; R63-H67 PolarHBondContact O-N 2.87Å
64	A	89.8	Confident	91.4	Very high	59 Å²	59	103.5 Å²	103.5	49%	0.488	52%	0.515	S	S	.	.	H	α-helix	trans	-65.1	-40.1	177.3	0	0	0	0	0	111.5	D60 V61 E62 H67 A68	D60-A64 WeakPolarHBondContact O-CB 3.26Å; D60-A64 PolarHBondContact O-N 3.47Å; V61-A64 WeakPolarHBondContact O-CB 3.39Å; V61-A64 PolarHBondContact O-N 2.85Å; E62-A64 PolarHBondContact O-N 3.48Å; A64-H67 PolarHBondContact O-N 3.21Å; A64-A68 WeakPolarHBondContact O-CB 3.22Å; A64-A68 PolarHBondContact O-N 3.35Å
65	E	91.7	Very high	91.3	Very high	136 Å²	136	102.1 Å²	102.1	64%	0.636	51%	0.513	S	S	*	.	H	α-helix	trans	-61.4	-48.2	175.6	-173.5	-178.8	170.2	0	0	111.8	V61 E62 R63 H67 A68 R69	V61-E65 PolarHBondContact O-N 3.49Å; E62-E65 PolarHBondContact O-N 2.83Å; R63-E65 VanDerWaalsContact C-N 3.35Å; E65-H67 VanDerWaalsContact C-N 3.33Å; E65-H67 PolarHBondContact O-N 2.8Å; E65-A68 WeakPolarHBondContact O-CB 2.89Å; E65-A68 PolarHBondContact O-N 3.01Å; E65-R69 PolarHBondContact O-N 2.81Å
66	L	95	Very high	91.2	Very high	117 Å²	117	104 Å²	104	61%	0.613	52%	0.52	S	S	*	.	H	α-helix	trans	-61.7	-40.8	176.6	-70.4	175.2	0	0	0	112	E62 R69 I70	E62-L66 WeakPolarHBondContact O-CG 3.23Å; E62-L66 PolarHBondContact O-N 2.9Å; L66-R69 PolarHBondContact O-N 2.81Å; L66-I70 VanDerWaalsContact O-CG1 3.32Å; L66-I70 WeakPolarHBondContact O-CG1 3.3Å; L66-I70 PolarHBondContact O-N 3.3Å
67	H	88.3	Confident	91	Very high	109 Å²	109	103.5 Å²	103.5	51%	0.505	52%	0.522	S	S	.	.	H	α-helix	trans	-62.2	-42.9	174.4	-90.1	-61.3	0	0	0	112.4	R63 A64 E65 R69 I70 A71	R63-H67 WeakPolarHBondContact O-CB 3.45Å; R63-H67 PolarHBondContact O-CD2 2.73Å; R63-H67 VanDerWaalsContact O-CD2 3.29Å; R63-H67 PolarHBondContact O-N 2.87Å; A64-H67 PolarHBondContact O-N 3.21Å; E65-H67 VanDerWaalsContact C-N 3.33Å; E65-H67 PolarHBondContact O-N 2.8Å; H67-R69 VanDerWaalsContact C-N 3.32Å; H67-R69 PolarHBondContact O-N 2.85Å; H67-I70 PolarHBondContact O-N 3Å; H67-A71 PolarHBondContact O-N 2.91Å
68	A	89.3	Confident	90.9	Very high	62 Å²	62	109.2 Å²	109.2	51%	0.512	54%	0.536	S	S	.	.	H	α-helix	trans	-62.3	-40.7	175.4	0	0	0	0	0	111.3	A64 E65 A71 F72	A64-A68 WeakPolarHBondContact O-CB 3.22Å; A64-A68 PolarHBondContact O-N 3.35Å; E65-A68 WeakPolarHBondContact O-CB 2.89Å; E65-A68 PolarHBondContact O-N 3.01Å; A68-A71 PolarHBondContact O-N 2.58Å; A68-F72 PolarHBondContact O-N 3.09Å
69	R	92.6	Very high	90.7	Very high	133 Å²	133	106 Å²	106	50%	0.502	53%	0.532	S	S	.	.	H	α-helix	trans	-65.1	-41.7	177.6	-171.7	59.5	179.2	-176.5	-1.9	112.6	E65 L66 H67 F72 L73	E65-R69 PolarHBondContact O-N 2.81Å; L66-R69 PolarHBondContact O-N 2.81Å; H67-R69 VanDerWaalsContact C-N 3.32Å; H67-R69 PolarHBondContact O-N 2.85Å; R69-F72 PolarHBondContact O-N 3.06Å; R69-L73 HydrophobicContact CG-CD1 4.45Å; R69-L73 WeakPolarHBondContact O-CG 3.48Å; R69-L73 PolarHBondContact O-N 2.58Å
70	I	90.7	Very high	90.6	Very high	87 Å²	87	103 Å²	103	45%	0.446	53%	0.529	S	S	.	.	H	α-helix	trans	-61.7	-45.8	174.9	-69	166	0	0	0	110.4	L66 H67 F72 L73 Q74	L66-I70 VanDerWaalsContact O-CG1 3.32Å; L66-I70 WeakPolarHBondContact O-CG1 3.3Å; L66-I70 PolarHBondContact O-N 3.3Å; H67-I70 PolarHBondContact O-N 3Å; I70-F72 VanDerWaalsContact C-N 3.32Å; I70-F72 PolarHBondContact O-N 2.95Å; I70-L73 PolarHBondContact O-N 3.42Å; I70-Q74 HydrophobicContact CG2-CG 4.39Å; I70-Q74 WeakPolarHBondContact O-CG 3.45Å; I70-Q74 PolarHBondContact O-N 2.99Å
71	A	88.3	Confident	90.6	Very high	56 Å²	56	101.2 Å²	101.2	46%	0.463	52%	0.518	S	S	.	.	H	α-helix	trans	-60.6	-41.3	178.3	0	0	0	0	0	111.9	H67 A68 Q74 G75	H67-A71 PolarHBondContact O-N 2.91Å; A68-A71 PolarHBondContact O-N 2.58Å; A71-Q74 PolarHBondContact O-N 3.24Å; A71-G75 PolarHBondContact O-N 2.94Å
72	F	92.3	Very high	90.3	Very high	101 Å²	101	100.4 Å²	100.4	44%	0.443	52%	0.515	S	S	.	.	H	α-helix	trans	-62.4	-45.8	175	179.6	-99.8	0	0	0	112.7	A68 R69 I70 G75 K76	A68-F72 PolarHBondContact O-N 3.09Å; R69-F72 PolarHBondContact O-N 3.06Å; I70-F72 VanDerWaalsContact C-N 3.32Å; I70-F72 PolarHBondContact O-N 2.95Å; F72-G75 PolarHBondContact O-N 3.2Å; F72-K76 HydrophobicContact CD1-CD 4.35Å; F72-K76 HydrophobicContact CE1-CD 3.7Å; F72-K76 VanDerWaalsContact CE1-CE 3.4Å; F72-K76 HydrophobicContact CE1-CG 4.26Å; F72-K76 HydrophobicContact CZ-CD 4.08Å; F72-K76 HydrophobicContact CZ-CG 4.41Å; F72-K76 PolarHBondContact O-N 2.98Å
73	L	94.1	Very high	90.2	Very high	90 Å²	90	101.2 Å²	101.2	47%	0.471	52%	0.522	S	S	.	.	H	α-helix	trans	-64.9	-40.2	178.3	-71.5	174.2	0	0	0	112.2	R69 I70 G75 K76 F77	R69-L73 HydrophobicContact CG-CD1 4.45Å; R69-L73 WeakPolarHBondContact O-CG 3.48Å; R69-L73 PolarHBondContact O-N 2.58Å; I70-L73 PolarHBondContact O-N 3.42Å; L73-G75 VanDerWaalsContact C-N 3.32Å; L73-G75 PolarHBondContact O-N 2.85Å; L73-K76 PolarHBondContact O-N 3.48Å; L73-F77 PolarHBondContact O-N 3.11Å
74	Q	87.3	Confident	90.2	Very high	131 Å²	131	100.5 Å²	100.5	61%	0.612	52%	0.519	S	S	*	.	H	α-helix	trans	-63.4	-38.6	173.3	-73.1	178.7	-16.2	0	0	111.9	I70 A71 F77 R78	I70-Q74 HydrophobicContact CG2-CG 4.39Å; I70-Q74 WeakPolarHBondContact O-CG 3.45Å; I70-Q74 PolarHBondContact O-N 2.99Å; A71-Q74 PolarHBondContact O-N 3.24Å; Q74-F77 PolarHBondContact O-N 3.35Å; Q74-R78 WeakPolarHBondContact O-CB 3.36Å; Q74-R78 PolarHBondContact O-N 2.97Å
75	G	87.3	Confident	90.2	Very high	45 Å²	45	101.2 Å²	101.2	46%	0.464	51%	0.514	S	S	.	.	H	α-helix	trans	-60.1	-47.1	172.5	0	0	0	0	0	112.4	A71 F72 L73 R78 G79	A71-G75 PolarHBondContact O-N 2.94Å; F72-G75 PolarHBondContact O-N 3.2Å; L73-G75 VanDerWaalsContact C-N 3.32Å; L73-G75 PolarHBondContact O-N 2.85Å; G75-R78 PolarHBondContact O-N 2.91Å; G75-G79 PolarHBondContact O-N 3.02Å
76	K	90.8	Very high	90.1	Very high	122 Å²	122	99.2 Å²	99.2	53%	0.53	51%	0.508	S	S	.	.	H	α-helix	trans	-60.3	-48.1	175.1	-81.4	-168.9	164.5	-175.3	0	112.5	F72 L73 R78 G79 L80	F72-K76 HydrophobicContact CD1-CD 4.35Å; F72-K76 HydrophobicContact CE1-CD 3.7Å; F72-K76 VanDerWaalsContact CE1-CE 3.4Å; F72-K76 HydrophobicContact CE1-CG 4.26Å; F72-K76 HydrophobicContact CZ-CD 4.08Å; F72-K76 HydrophobicContact CZ-CG 4.41Å; F72-K76 PolarHBondContact O-N 2.98Å; L73-K76 PolarHBondContact O-N 3.48Å; K76-R78 VanDerWaalsContact C-N 3.32Å; K76-R78 PolarHBondContact O-N 2.81Å; K76-G79 PolarHBondContact O-N 3.39Å; K76-G79 VanDerWaalsContact O-N 3.16Å; K76-L80 PolarHBondContact O-N 3.36Å
77	F	90.1	Very high	90	Very high	142 Å²	142	98.2 Å²	98.2	62%	0.623	50%	0.503	S	S	*	.	H	α-helix	trans	-58.3	-44.6	177.6	179.7	-97.6	0	0	0	111.6	L73 Q74 G79 L80 E81	L73-F77 PolarHBondContact O-N 3.11Å; Q74-F77 PolarHBondContact O-N 3.35Å; F77-G79 VanDerWaalsContact C-N 3.33Å; F77-G79 PolarHBondContact O-N 3.02Å; F77-L80 PolarHBondContact O-N 2.85Å; F77-E81 PolarHBondContact O-N 2.82Å
78	R	88.5	Confident	90.1	Very high	191 Å²	191	96.4 Å²	96.4	72%	0.721	50%	0.496	S	S	*	.	H	α-helix	trans	-64	-37.3	177	-167.7	172.9	-174.5	164.2	1.5	112.4	Q74 G75 K76 E81 C82	Q74-R78 WeakPolarHBondContact O-CB 3.36Å; Q74-R78 PolarHBondContact O-N 2.97Å; G75-R78 PolarHBondContact O-N 2.91Å; K76-R78 VanDerWaalsContact C-N 3.32Å; K76-R78 PolarHBondContact O-N 2.81Å; R78-E81 PolarHBondContact O-N 3.35Å; R78-C82 PolarHBondContact O-N 3.19Å; R78-C82 PolarHBondContact O-SG 3.04Å; R78-C82 VanDerWaalsContact O-SG 3.33Å
79	G	87.6	Confident	90.2	Very high	42 Å²	42	101.3 Å²	101.3	43%	0.433	50%	0.501	S	S	.	.	H	α-helix	trans	-62.4	-44.7	173.4	0	0	0	0	0	112.7	G75 K76 F77 C82 L83	G75-G79 PolarHBondContact O-N 3.02Å; K76-G79 PolarHBondContact O-N 3.39Å; K76-G79 VanDerWaalsContact O-N 3.16Å; F77-G79 VanDerWaalsContact C-N 3.33Å; F77-G79 PolarHBondContact O-N 3.02Å; G79-C82 PolarHBondContact O-N 3.49Å; G79-L83 PolarHBondContact O-N 3.11Å
80	L	91.6	Very high	90.1	Very high	115 Å²	115	101.1 Å²	101.1	60%	0.602	50%	0.501	S	S	*	.	H	α-helix	trans	-63.3	-40.8	175.6	-70.3	173	0	0	0	112.1	K76 F77 L83 R84	K76-L80 PolarHBondContact O-N 3.36Å; F77-L80 PolarHBondContact O-N 2.85Å; L80-L83 PolarHBondContact O-N 2.81Å; L80-R84 WeakPolarHBondContact O-CB 3.45Å; L80-R84 PolarHBondContact O-N 3.23Å
81	E	89.4	Confident	90.2	Very high	56 Å²	56	101.3 Å²	101.3	26%	0.262	50%	0.502	S	S	.	.	H	α-helix	trans	-67.8	-37.5	177.5	-163.9	60.2	-148.7	0	0	111.8	F77 R78 R84 N85	F77-E81 PolarHBondContact O-N 2.82Å; R78-E81 PolarHBondContact O-N 3.35Å; E81-R84 PolarHBondContact O-N 3.4Å; E81-R84 IonicContact OE1-CZ 2.75Å; E81-R84 IonicContact OE1-NH1 3.86Å; E81-R84 PolarHBondContact OE1-NH1 3.46Å; E81-R84 IonicContact OE2-NH1 3.72Å; E81-N85 WeakPolarHBondContact O-CB 3.4Å; E81-N85 VanDerWaalsContact O-CG 3.29Å; E81-N85 PolarHBondContact O-N 2.76Å; E81-N85 PolarHBondContact O-ND2 3.27Å
82	C	85.5	Confident	90.3	Very high	79 Å²	79	105.2 Å²	105.2	53%	0.534	51%	0.508	S	S	.	.	H	α-helix	trans	-60.9	-44.6	171.1	-75.2	0	0	0	0	111.7	R78 G79 N85 D86	R78-C82 PolarHBondContact O-N 3.19Å; R78-C82 PolarHBondContact O-SG 3.04Å; R78-C82 VanDerWaalsContact O-SG 3.33Å; G79-C82 PolarHBondContact O-N 3.49Å; C82-N85 PolarHBondContact O-N 2.72Å; C82-D86 PolarHBondContact O-N 2.69Å
83	L	91.7	Very high	90.1	Very high	95 Å²	95	104.3 Å²	104.3	50%	0.497	51%	0.506	S	S	.	.	H	α-helix	trans	-64	-43.9	177.4	-178.2	64.3	0	0	0	111.7	G79 L80 N85 D86 L87	G79-L83 PolarHBondContact O-N 3.11Å; L80-L83 PolarHBondContact O-N 2.81Å; L83-N85 VanDerWaalsContact C-N 3.33Å; L83-N85 PolarHBondContact O-N 3.33Å; L83-D86 PolarHBondContact O-N 3.39Å; L83-L87 HydrophobicContact CG-CD1 4.3Å; L83-L87 WeakPolarHBondContact O-CG 3.18Å; L83-L87 PolarHBondContact O-N 3.37Å
84	R	93.3	Very high	90.1	Very high	143 Å²	143	104.3 Å²	104.3	54%	0.54	51%	0.506	S	S	.	.	H	α-helix	trans	-57.2	-47.1	175.1	-178.4	-173.3	176.9	-149.9	4.7	111.2	L80 E81 D86 L87 I88	L80-R84 WeakPolarHBondContact O-CB 3.45Å; L80-R84 PolarHBondContact O-N 3.23Å; E81-R84 PolarHBondContact O-N 3.4Å; E81-R84 IonicContact OE1-CZ 2.75Å; E81-R84 IonicContact OE1-NH1 3.86Å; E81-R84 PolarHBondContact OE1-NH1 3.46Å; E81-R84 IonicContact OE2-NH1 3.72Å; R84-D86 VanDerWaalsContact C-N 3.32Å; R84-D86 PolarHBondContact O-N 3.02Å; R84-L87 PolarHBondContact O-N 3.12Å; R84-I88 HydrophobicContact CG-CD1 4.12Å; R84-I88 WeakPolarHBondContact O-CG1 3.07Å; R84-I88 PolarHBondContact O-N 2.7Å
85	N	89.3	Confident	90.2	Very high	74 Å²	74	103.4 Å²	103.4	40%	0.396	50%	0.502	S	S	.	.	H	α-helix	trans	-63.9	-37.5	178.2	-75.5	-43.6	0	0	0	112.4	E81 C82 L83 R89	E81-N85 WeakPolarHBondContact O-CB 3.4Å; E81-N85 VanDerWaalsContact O-CG 3.29Å; E81-N85 PolarHBondContact O-N 2.76Å; E81-N85 PolarHBondContact O-ND2 3.27Å; C82-N85 PolarHBondContact O-N 2.72Å; L83-N85 VanDerWaalsContact C-N 3.33Å; L83-N85 PolarHBondContact O-N 3.33Å; N85-R89 WeakPolarHBondContact O-CB 3.28Å; N85-R89 PolarHBondContact O-N 3.28Å
86	D	89.7	Confident	90.2	Very high	93 Å²	93	106.1 Å²	106.1	50%	0.497	50%	0.499	S	S	.	.	H	α-helix	trans	-67.7	-42	175.7	-164.2	49.3	0	0	0	112	C82 L83 R84 I88 R89 R90	C82-D86 PolarHBondContact O-N 2.69Å; L83-D86 PolarHBondContact O-N 3.39Å; R84-D86 VanDerWaalsContact C-N 3.32Å; R84-D86 PolarHBondContact O-N 3.02Å; D86-I88 PolarHBondContact O-N 3.48Å; D86-R89 WeakPolarHBondContact O-CB 3.47Å; D86-R89 PolarHBondContact O-N 3.11Å; D86-R89 VanDerWaalsContact O-N 3.16Å; D86-R90 WeakPolarHBondContact O-CB 3.11Å; D86-R90 PolarHBondContact O-N 3.37Å
87	L	92.6	Very high	90.1	Very high	97 Å²	97	102.6 Å²	102.6	51%	0.508	49%	0.492	S	S	.	.	H	α-helix	trans	-61.5	-44.3	174.5	-71.8	173.9	0	0	0	112.1	L83 R84 R89 R90 I91	L83-L87 HydrophobicContact CG-CD1 4.3Å; L83-L87 WeakPolarHBondContact O-CG 3.18Å; L83-L87 PolarHBondContact O-N 3.37Å; R84-L87 PolarHBondContact O-N 3.12Å; L87-R89 VanDerWaalsContact C-N 3.28Å; L87-R89 PolarHBondContact O-N 3.46Å; L87-R90 WeakPolarHBondContact O-CB 3.19Å; L87-R90 PolarHBondContact O-N 3.28Å; L87-I91 VanDerWaalsContact O-CG1 3.28Å; L87-I91 WeakPolarHBondContact O-CG1 3.4Å; L87-I91 PolarHBondContact O-N 3.36Å
88	I	91.1	Very high	90.1	Very high	71 Å²	71	99.7 Å²	99.7	36%	0.364	48%	0.483	S	S	.	.	H	α-helix	trans	-59.1	-43.6	174.3	-70.1	167	0	0	0	110.3	R84 D86 R90 I91 K92	R84-I88 HydrophobicContact CG-CD1 4.12Å; R84-I88 WeakPolarHBondContact O-CG1 3.07Å; R84-I88 PolarHBondContact O-N 2.7Å; D86-I88 PolarHBondContact O-N 3.48Å; I88-R90 VanDerWaalsContact C-N 3.32Å; I88-R90 PolarHBondContact O-N 3.01Å; I88-I91 PolarHBondContact O-N 3.18Å; I88-K92 WeakPolarHBondContact O-CG 3.25Å; I88-K92 PolarHBondContact O-N 3.33Å
89	R	89.8	Confident	89.9	Confident	165 Å²	165	95.2 Å²	95.2	62%	0.623	47%	0.472	S	S	*	.	H	α-helix	trans	-63.6	-39	178	-149.1	-176.3	-70.5	173.2	-2.9	111.4	N85 D86 L87 M93	N85-R89 WeakPolarHBondContact O-CB 3.28Å; N85-R89 PolarHBondContact O-N 3.28Å; D86-R89 WeakPolarHBondContact O-CB 3.47Å; D86-R89 PolarHBondContact O-N 3.11Å; D86-R89 VanDerWaalsContact O-N 3.16Å; L87-R89 VanDerWaalsContact C-N 3.28Å; L87-R89 PolarHBondContact O-N 3.46Å; R89-M93 PolarHBondContact O-N 3.5Å; R89-M93 VanDerWaalsContact O-N 3.09Å
90	R	91.2	Very high	89.9	Confident	129 Å²	129	99.1 Å²	99.1	49%	0.487	47%	0.474	S	S	.	.	H	α-helix	trans	-66.2	-43.9	175.7	-178	59.7	177.5	177.1	2.9	112.3	D86 L87 I88 M93 L94	D86-R90 WeakPolarHBondContact O-CB 3.11Å; D86-R90 PolarHBondContact O-N 3.37Å; L87-R90 WeakPolarHBondContact O-CB 3.19Å; L87-R90 PolarHBondContact O-N 3.28Å; I88-R90 VanDerWaalsContact C-N 3.32Å; I88-R90 PolarHBondContact O-N 3.01Å; R90-M93 PolarHBondContact O-N 3.27Å; R90-L94 HydrophobicContact CG-CD1 4.2Å; R90-L94 WeakPolarHBondContact O-CG 3.34Å; R90-L94 PolarHBondContact O-N 2.75Å
91	I	92	Very high	89.4	Confident	91 Å²	91	99.6 Å²	99.6	47%	0.467	47%	0.473	S	S	.	.	H	α-helix	trans	-58.6	-49.6	176.2	-69.8	164.5	0	0	0	109.6	L87 I88 M93 L94 E95	L87-I91 VanDerWaalsContact O-CG1 3.28Å; L87-I91 WeakPolarHBondContact O-CG1 3.4Å; L87-I91 PolarHBondContact O-N 3.36Å; I88-I91 PolarHBondContact O-N 3.18Å; I91-M93 VanDerWaalsContact C-N 3.32Å; I91-M93 PolarHBondContact O-N 3.16Å; I91-L94 WeakPolarHBondContact O-CB 3.49Å; I91-L94 PolarHBondContact O-N 3.26Å; I91-E95 HydrophobicContact CG2-CG 4.34Å; I91-E95 WeakPolarHBondContact O-CG 3.34Å; I91-E95 PolarHBondContact O-N 3.2Å
92	K	90.2	Very high	89.2	Confident	138 Å²	138	102.5 Å²	102.5	60%	0.6	48%	0.482	S	S	*	.	H	α-helix	trans	-57.4	-41.5	176.8	-73.3	-175.6	176.8	-171.6	0	112.9	I88 Y96	I88-K92 WeakPolarHBondContact O-CG 3.25Å; I88-K92 PolarHBondContact O-N 3.33Å; K92-Y96 WeakPolarHBondContact O-CB 3.04Å; K92-Y96 PolarHBondContact O-N 2.9Å
93	M	89	Confident	88.9	Confident	81 Å²	81	100.9 Å²	100.9	40%	0.399	47%	0.471	S	S	.	.	H	α-helix	trans	-65.4	-38.7	175.2	-74.6	-142.1	-35	0	0	113	R89 R90 I91 Y96 A97 Y320	R89-M93 PolarHBondContact O-N 3.5Å; R89-M93 VanDerWaalsContact O-N 3.09Å; R90-M93 PolarHBondContact O-N 3.27Å; I91-M93 VanDerWaalsContact C-N 3.32Å; I91-M93 PolarHBondContact O-N 3.16Å; M93-Y96 PolarHBondContact O-N 3.14Å; M93-A97 WeakPolarHBondContact O-CB 3.38Å; M93-A97 PolarHBondContact O-N 3.48Å; M93-Y320 HydrophobicContact CE-CE2 4Å; M93-Y320 HydrophobicContact SD-CD2 4.36Å; M93-Y320 HydrophobicContact SD-CE2 4.08Å
94	L	93.3	Very high	88	Confident	91 Å²	91	100.6 Å²	100.6	48%	0.476	47%	0.47	S	S	.	.	H	α-helix	trans	-68	-41.4	178.6	-71.3	171.8	0	0	0	111	R90 I91 A97 L98	R90-L94 HydrophobicContact CG-CD1 4.2Å; R90-L94 WeakPolarHBondContact O-CG 3.34Å; R90-L94 PolarHBondContact O-N 2.75Å; I91-L94 WeakPolarHBondContact O-CB 3.49Å; I91-L94 PolarHBondContact O-N 3.26Å; L94-A97 PolarHBondContact O-N 3.25Å; L94-L98 VanDerWaalsContact O-CB 3.25Å; L94-L98 WeakPolarHBondContact O-CB 3.24Å; L94-L98 PolarHBondContact O-N 2.6Å
95	E	90.5	Very high	86.7	Confident	111 Å²	111	101.2 Å²	101.2	52%	0.519	48%	0.477	S	S	.	.	H	α-helix	trans	-59.3	-46.2	173.3	-71.5	173.4	164.2	0	0	111.1	I91 L98 I99	I91-E95 HydrophobicContact CG2-CG 4.34Å; I91-E95 WeakPolarHBondContact O-CG 3.34Å; I91-E95 PolarHBondContact O-N 3.2Å; E95-L98 PolarHBondContact O-N 3.24Å; E95-I99 VanDerWaalsContact O-CG1 3.28Å; E95-I99 WeakPolarHBondContact O-CG1 3.41Å; E95-I99 PolarHBondContact O-N 2.87Å
96	Y	86.6	Confident	85.2	Confident	103 Å²	103	102 Å²	102	40%	0.404	49%	0.485	S	S	.	.	H	α-helix	trans	-61.4	-46.5	176	178.6	-93.9	0	0	0	112.7	K92 M93 L98 I99 R100 L313	K92-Y96 WeakPolarHBondContact O-CB 3.04Å; K92-Y96 PolarHBondContact O-N 2.9Å; M93-Y96 PolarHBondContact O-N 3.14Å; Y96-L98 VanDerWaalsContact C-N 3.27Å; Y96-L98 PolarHBondContact O-N 2.8Å; Y96-I99 PolarHBondContact O-N 3.09Å; Y96-R100 PolarHBondContact O-N 3.46Å; Y96-L313 HydrophobicContact CE1-CD1 4.3Å; Y96-L313 HydrophobicContact CE2-CD1 3.75Å; Y96-L313 VanDerWaalsContact CZ-CD1 3.5Å; Y96-L313 WeakPolarHBondContact OH-CD1 3.3Å
97	A	89	Confident	83.4	Confident	47 Å²	47	104.3 Å²	104.3	39%	0.388	49%	0.492	S	S	.	.	H	α-helix	trans	-60.7	-39.1	177.5	0	0	0	0	0	111.7	M93 L94 R100 E101	M93-A97 WeakPolarHBondContact O-CB 3.38Å; M93-A97 PolarHBondContact O-N 3.48Å; L94-A97 PolarHBondContact O-N 3.25Å; A97-R100 PolarHBondContact O-N 3.37Å; A97-E101 PolarHBondContact O-N 3.46Å
98	L	89.3	Confident	81.4	Confident	82 Å²	82	107.3 Å²	107.3	43%	0.429	51%	0.509	S	S	.	.	H	α-helix	trans	-68.7	-39.7	178.5	-167.3	148.3	0	0	0	111.9	L94 E95 Y96 E101 R102	L94-L98 VanDerWaalsContact O-CB 3.25Å; L94-L98 WeakPolarHBondContact O-CB 3.24Å; L94-L98 PolarHBondContact O-N 2.6Å; E95-L98 PolarHBondContact O-N 3.24Å; Y96-L98 VanDerWaalsContact C-N 3.27Å; Y96-L98 PolarHBondContact O-N 2.8Å; L98-E101 PolarHBondContact O-N 2.68Å; L98-R102 VanDerWaalsContact CD2-NE 3.3Å; L98-R102 WeakPolarHBondContact O-CG 3.4Å; L98-R102 PolarHBondContact O-N 2.85Å; L98-R102 VanDerWaalsContact O-N 3.07Å
99	I	86.3	Confident	79.2	Confident	96 Å²	96	106.1 Å²	106.1	49%	0.492	51%	0.514	S	S	.	.	H	α-helix	trans	-61.8	-44	171.8	-68.4	164.5	0	0	0	110.4	E95 Y96 R102 S103	E95-I99 VanDerWaalsContact O-CG1 3.28Å; E95-I99 WeakPolarHBondContact O-CG1 3.41Å; E95-I99 PolarHBondContact O-N 2.87Å; Y96-I99 PolarHBondContact O-N 3.09Å; I99-R102 WeakPolarHBondContact O-CB 3.5Å; I99-R102 PolarHBondContact O-N 2.86Å; I99-S103 PolarHBondContact O-N 2.82Å
100	R	86.1	Confident	76.6	Confident	125 Å²	125	106.9 Å²	106.9	47%	0.472	53%	0.525	S	S	.	.	H	α-helix	trans	-65.9	-37.8	178.7	-172	173	-176.6	169.2	0.9	113.4	Y96 A97 R102 S103 N104	Y96-R100 PolarHBondContact O-N 3.46Å; A97-R100 PolarHBondContact O-N 3.37Å; R100-R102 VanDerWaalsContact C-N 3.34Å; R100-S103 WeakPolarHBondContact CA-OG 3.36Å; R100-S103 PolarHBondContact O-N 2.71Å; R100-S103 PolarHBondContact O-OG 3.21Å; R100-N104 WeakPolarHBondContact O-CB 3.42Å; R100-N104 VanDerWaalsContact O-CG 3.27Å; R100-N104 PolarHBondContact O-N 2.78Å
101	E	82.4	Confident	74.1	Confident	125 Å²	125	106.2 Å²	106.2	58%	0.584	54%	0.54	S	S	*	.	H	α-helix	trans	-65.2	-39.3	172.7	-79.4	-168.7	175.7	0	0	111.9	A97 L98 K105	A97-E101 PolarHBondContact O-N 3.46Å; L98-E101 PolarHBondContact O-N 2.68Å; E101-K105 PolarHBondContact O-N 3.14Å; E101-K105 VanDerWaalsContact O-N 3.13Å
102	R	85.6	Confident	71.7	Confident	117 Å²	117	110.8 Å²	110.8	44%	0.442	56%	0.556	S	S	.	*	H	α-helix	trans	-64.2	-44.2	175.5	-73.6	176.6	178	-179.8	1.5	111.4	L98 I99 R100 K105 T106	L98-R102 VanDerWaalsContact CD2-NE 3.3Å; L98-R102 WeakPolarHBondContact O-CG 3.4Å; L98-R102 PolarHBondContact O-N 2.85Å; L98-R102 VanDerWaalsContact O-N 3.07Å; I99-R102 WeakPolarHBondContact O-CB 3.5Å; I99-R102 PolarHBondContact O-N 2.86Å; R100-R102 VanDerWaalsContact C-N 3.34Å; R102-K105 PolarHBondContact O-N 3.09Å; R102-T106 PolarHBondContact O-N 2.91Å; R102-T106 PolarHBondContact O-OG1 3.06Å
103	S	78	Confident	69.4	Low	44 Å²	44	112.8 Å²	112.8	31%	0.308	57%	0.568	S	S	.	*	H	α-helix	trans	-66.3	-36.6	178.2	67.1	0	0	0	0	113	I99 R100 T106 Q107	I99-S103 PolarHBondContact O-N 2.82Å; R100-S103 WeakPolarHBondContact CA-OG 3.36Å; R100-S103 PolarHBondContact O-N 2.71Å; R100-S103 PolarHBondContact O-OG 3.21Å; S103-T106 WeakPolarHBondContact CA-OG1 3.44Å; S103-T106 PolarHBondContact O-N 2.86Å; S103-T106 PolarHBondContact O-OG1 3.23Å; S103-Q107 PolarHBondContact O-N 2.73Å
104	N	73.7	Confident	67.2	Low	89 Å²	89	115 Å²	115	48%	0.476	58%	0.581	S	S	.	*	H	α-helix	trans	-67.8	-39.5	176.8	-75.9	-2.4	0	0	0	112	R100 T106 Q107	R100-N104 WeakPolarHBondContact O-CB 3.42Å; R100-N104 VanDerWaalsContact O-CG 3.27Å; R100-N104 PolarHBondContact O-N 2.78Å; N104-T106 VanDerWaalsContact C-N 3.32Å; N104-T106 PolarHBondContact O-N 2.83Å; N104-Q107 PolarHBondContact O-N 2.53Å
105	K	66	Low	64.6	Low	157 Å²	157	116.1 Å²	116.1	68%	0.683	58%	0.584	S	S	*	*	H	α-helix	trans	-66.5	-32.8	177.4	-77.7	178.7	179.6	170.8	0	113	E101 R102 Q107 D108	E101-K105 PolarHBondContact O-N 3.14Å; E101-K105 VanDerWaalsContact O-N 3.13Å; R102-K105 PolarHBondContact O-N 3.09Å; K105-Q107 VanDerWaalsContact C-N 3.28Å; K105-Q107 PolarHBondContact O-N 3.2Å; K105-D108 PolarHBondContact O-N 2.87Å
106	T	56.4	Low	62.2	Low	91 Å²	91	119.3 Å²	119.3	56%	0.558	60%	0.599	S	S	*	*	H	α-helix	trans	-70.3	-22.9	174.7	38.3	0	0	0	0	113.2	R102 S103 N104 G109	R102-T106 PolarHBondContact O-N 2.91Å; R102-T106 PolarHBondContact O-OG1 3.06Å; S103-T106 WeakPolarHBondContact CA-OG1 3.44Å; S103-T106 PolarHBondContact O-N 2.86Å; S103-T106 PolarHBondContact O-OG1 3.23Å; N104-T106 VanDerWaalsContact C-N 3.32Å; N104-T106 PolarHBondContact O-N 2.83Å; T106-G109 CarbonylContact O-C 3.57Å; T106-G109 PolarHBondContact O-N 2.78Å
107	Q	52	Low	60	Low	141 Å²	141	120.2 Å²	120.2	66%	0.659	61%	0.61	S	S	*	*	H	α-helix	trans	-75.6	-23.7	175.6	-70.7	-170.2	7.8	0	0	113.6	S103 N104 K105 G109	S103-Q107 PolarHBondContact O-N 2.73Å; N104-Q107 PolarHBondContact O-N 2.53Å; K105-Q107 VanDerWaalsContact C-N 3.28Å; K105-Q107 PolarHBondContact O-N 3.2Å; Q107-G109 PolarHBondContact O-N 2.94Å
108	D	50.8	Low	57.6	Low	160 Å²	160	123.4 Å²	123.4	86%	0.856	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	2.7	172.2	-78.2	-20.6	0	0	0	113.3	K105	K105-D108 PolarHBondContact O-N 2.87Å
109	G	45.2	Very low	55.2	Low	46 Å²	46	125.9 Å²	125.9	47%	0.474	63%	0.631	S	S	.	*	S	Bend	trans	-149.7	74.7	-177.6	0	0	0	0	0	113.4	T106 Q107	T106-G109 CarbonylContact O-C 3.57Å; T106-G109 PolarHBondContact O-N 2.78Å; Q107-G109 PolarHBondContact O-N 2.94Å
110	Q	34.3	Very low	52.8	Low	181 Å²	181	125 Å²	125	85%	0.846	63%	0.633	S	S	*	*			trans	51.9	133.5	151.7	-67.5	-178.9	-14.5	0	0	120.2
111	S	40.6	Very low	50.6	Low	115 Å²	115	123.7 Å²	123.7	80%	0.804	64%	0.639	S	S	*	*			trans	73.2	102.7	160	52.8	0	0	0	0	119	E113	S111-E113 PolarHBondContact O-N 3.02Å; S111-E113 VanDerWaalsContact O-N 3.12Å
112	K	40.2	Very low	48.3	Very low	186 Å²	186	123.7 Å²	123.7	81%	0.809	64%	0.639	S	S	*	*	S	Bend	trans	-75.4	60.8	178.6	-72	-176.6	158.1	-171	0	115
113	E	43.2	Very low	45.9	Very low	181 Å²	181	128 Å²	128	85%	0.846	66%	0.661	S	S	*	*	S	Bend	trans	-125.9	4.6	171	-79.9	-171.7	166.5	0	0	115.5	S111	S111-E113 PolarHBondContact O-N 3.02Å; S111-E113 VanDerWaalsContact O-N 3.12Å
114	N	40.8	Very low	43.7	Very low	127 Å²	127	130.2 Å²	130.2	68%	0.679	68%	0.677	S	S	*	*	S	Bend	trans	-115.3	9.9	-178.9	-73.9	-24.9	0	0	0	115.6	E116	N114-E116 PolarHBondContact O-N 2.86Å
115	E	40	Very low	41.5	Very low	115 Å²	115	136.4 Å²	136.4	54%	0.537	69%	0.693	S	S	.	*	H	α-helix	trans	-67.8	-30.7	179	-88.6	178.2	157	0	0	113.2
116	E	39.5	Very low	39.8	Very low	178 Å²	178	134.1 Å²	134.1	83%	0.832	70%	0.697	S	S	*	*	H	α-helix	trans	-82.4	-25.4	-176.1	-68.4	-173.4	168.2	0	0	114.1	N114	N114-E116 PolarHBondContact O-N 2.86Å
117	N	40.8	Very low	38.5	Very low	121 Å²	121	138.1 Å²	138.1	65%	0.647	72%	0.715	S	S	*	*	H	α-helix	trans	-86.8	-14.9	-176.8	-85.4	-21	0	0	0	114.5
118	M	37.5	Very low	37.5	Very low	114 Å²	114	136.2 Å²	136.2	56%	0.562	72%	0.717	S	S	*	*	H	α-helix	trans	-90.3	-17.4	-178.2	-142.5	176	137	0	0	113.1
119	I	39.2	Very low	36.3	Very low	135 Å²	135	131.7 Å²	131.7	69%	0.692	71%	0.709	S	S	*	*	H	α-helix	trans	-78.7	-29.5	-180	-59.2	172.8	0	0	0	111.1
120	S	37.1	Very low	35.7	Very low	77 Å²	77	135.8 Å²	135.8	54%	0.538	72%	0.724	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.4	-21.5	-179.7	67	0	0	0	0	114.6	S124	S120-S124 PolarHBondContact O-OG 2.73Å
121	V	38.9	Very low	35.4	Very low	97 Å²	97	134.1 Å²	134.1	59%	0.588	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-23.5	-173.8	-174.9	0	0	0	0	112.5	F123	V121-F123 PolarHBondContact O-N 2.92Å
122	H	34.5	Very low	35.1	Very low	125 Å²	125	137 Å²	137	58%	0.579	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-7.1	-173.1	-108.8	-69.3	0	0	0	115.5
123	F	34.9	Very low	34.8	Very low	208 Å²	208	133.1 Å²	133.1	91%	0.912	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.8	0.9	176.6	-129.1	-88.9	0	0	0	114.6	V121	V121-F123 PolarHBondContact O-N 2.92Å
124	S	32.2	Very low	34.3	Very low	91 Å²	91	132.5 Å²	132.5	64%	0.636	71%	0.713	S	S	*	*	S	Bend	trans	-138.5	47.2	-174.8	60.9	0	0	0	0	114.2	S120	S120-S124 PolarHBondContact O-OG 2.73Å
125	R	27.2	Very low	34.2	Very low	218 Å²	218	131 Å²	131	82%	0.823	71%	0.709	S	S	*	*			trans	-164.4	96.2	159	-148.5	159.2	174.1	159	-3.6	114
126	S	29.9	Very low	34.3	Very low	110 Å²	110	130.9 Å²	130.9	77%	0.769	71%	0.712	S	S	*	*			trans	178.5	89.4	131.1	54.1	0	0	0	0	110.2
127	D	29.7	Very low	34.5	Very low	175 Å²	175	127.3 Å²	127.3	94%	0.936	70%	0.701	S	S	*	*	S	Bend	trans	-134.3	63	142.2	-140.7	5.3	0	0	0	107.7
128	S	30.6	Very low	34.5	Very low	100 Å²	100	126 Å²	126	70%	0.699	69%	0.694	S	S	*	*			trans	-158.7	96.2	169.3	68.4	0	0	0	0	107.8
129	G	27	Very low	35.1	Very low	65 Å²	65	122.8 Å²	122.8	67%	0.67	68%	0.683	S	S	*	*			trans	163	84	178.6	0	0	0	0	0	112.4	D131	G129-D131 PolarHBondContact O-N 2.81Å
130	T	32.1	Very low	35.8	Very low	132 Å²	132	122 Å²	122	81%	0.81	68%	0.677	S	S	*	*			trans	-30.7	115.6	156.2	28.9	0	0	0	0	112.6
131	D	27.7	Very low	36.5	Very low	147 Å²	147	125.8 Å²	125.8	79%	0.786	68%	0.679	S	S	*	*			trans	-139.3	119.5	160.3	-97.1	-26.9	0	0	0	110.6	G129 S133	G129-D131 PolarHBondContact O-N 2.81Å; D131-S133 VanDerWaalsContact C-N 3.28Å; D131-S133 PolarHBondContact O-N 3.4Å
132	H	33.3	Very low	37.4	Very low	176 Å²	176	126.6 Å²	126.6	82%	0.815	68%	0.676	S	S	*	*	S	Bend	trans	-73.2	52.2	-169.2	-85.8	-75.6	0	0	0	114.8
133	S	35.7	Very low	38.8	Very low	104 Å²	104	125.3 Å²	125.3	73%	0.727	67%	0.674	S	S	*	*			trans	-126	9.2	177.3	62.7	0	0	0	0	115.9	D131	D131-S133 VanDerWaalsContact C-N 3.28Å; D131-S133 PolarHBondContact O-N 3.4Å
134	K	32.6	Very low	40.3	Very low	167 Å²	167	121.1 Å²	121.1	73%	0.726	66%	0.657	S	S	*	*			trans	-86.2	-5.4	172.6	-88.9	-177	176.1	175.9	0	115.6	N136	K134-N136 PolarHBondContact O-N 2.91Å
135	T	38	Very low	41.7	Very low	97 Å²	97	120.6 Å²	120.6	60%	0.595	65%	0.647	S	S	*	*	H	α-helix	trans	-66.5	-23.1	-174.6	54.4	0	0	0	0	113.8	S139	T135-S139 WeakPolarHBondContact O-CB 3.5Å; T135-S139 PolarHBondContact O-N 2.92Å; T135-S139 PolarHBondContact O-OG 2.76Å
136	N	41.3	Very low	43.8	Very low	112 Å²	112	115.2 Å²	115.2	60%	0.599	63%	0.634	S	S	*	*	H	α-helix	trans	-83	-34.8	-173.2	-145.2	26.9	0	0	0	114.3	K134 S139 E140	K134-N136 PolarHBondContact O-N 2.91Å; N136-S139 WeakPolarHBondContact O-CB 3.45Å; N136-S139 PolarHBondContact O-N 2.84Å; N136-E140 PolarHBondContact O-N 2.95Å; N136-E140 VanDerWaalsContact O-N 3.12Å
137	V	43.3	Very low	45.6	Very low	102 Å²	102	116.7 Å²	116.7	62%	0.618	63%	0.628	S	S	*	*	H	α-helix	trans	-74.4	-38	179.2	-178.5	0	0	0	0	111	S139 E140 W141	V137-S139 VanDerWaalsContact C-N 3.27Å; V137-S139 PolarHBondContact O-N 3.22Å; V137-E140 PolarHBondContact O-N 2.91Å; V137-W141 PolarHBondContact O-N 3.06Å
138	D	41.6	Very low	46.9	Very low	94 Å²	94	112.8 Å²	112.8	50%	0.503	61%	0.607	S	S	.	*	H	α-helix	trans	-66.7	-33.1	175.1	-68.5	-23	0	0	0	111.2	Q142	D138-Q142 WeakPolarHBondContact O-CB 3.25Å; D138-Q142 VanDerWaalsContact O-CG 3.23Å; D138-Q142 WeakPolarHBondContact O-CG 3.3Å; D138-Q142 PolarHBondContact O-N 3.05Å
139	S	49.5	Very low	48.5	Very low	46 Å²	46	110.7 Å²	110.7	32%	0.322	59%	0.593	S	S	.	*	H	α-helix	trans	-65.8	-43.4	173.7	-58.6	0	0	0	0	112.1	T135 N136 V137 Q142 N143	T135-S139 WeakPolarHBondContact O-CB 3.5Å; T135-S139 PolarHBondContact O-N 2.92Å; T135-S139 PolarHBondContact O-OG 2.76Å; N136-S139 WeakPolarHBondContact O-CB 3.45Å; N136-S139 PolarHBondContact O-N 2.84Å; V137-S139 VanDerWaalsContact C-N 3.27Å; V137-S139 PolarHBondContact O-N 3.22Å; S139-Q142 PolarHBondContact O-N 3.37Å; S139-N143 WeakPolarHBondContact O-CB 3.39Å; S139-N143 PolarHBondContact O-N 3.08Å; S139-N143 PolarHBondContact O-ND2 3.05Å
140	E	54.4	Low	50.2	Low	119 Å²	119	113.8 Å²	113.8	56%	0.556	59%	0.588	S	S	*	*	H	α-helix	trans	-64.2	-45.3	177	-78.9	179.4	168.7	0	0	111.4	N136 V137 Q142 N143 E144	N136-E140 PolarHBondContact O-N 2.95Å; N136-E140 VanDerWaalsContact O-N 3.12Å; V137-E140 PolarHBondContact O-N 2.91Å; E140-Q142 PolarHBondContact O-N 3.41Å; E140-N143 PolarHBondContact O-N 3.22Å; E140-E144 WeakPolarHBondContact O-CG 3.45Å; E140-E144 PolarHBondContact O-N 2.89Å
141	W	52.8	Low	51.7	Low	157 Å²	157	115.6 Å²	115.6	60%	0.595	58%	0.581	S	S	*	*	H	α-helix	trans	-63.4	-41.7	176.5	-176.1	84	0	0	0	112.4	V137 N143 E144 N145	V137-W141 PolarHBondContact O-N 3.06Å; W141-N143 VanDerWaalsContact C-N 3.33Å; W141-N143 PolarHBondContact O-N 3.37Å; W141-E144 PolarHBondContact O-N 3.28Å; W141-N145 WeakPolarHBondContact O-CB 3.36Å; W141-N145 PolarHBondContact O-N 2.58Å
142	Q	57.9	Low	53.2	Low	113 Å²	113	113.9 Å²	113.9	53%	0.528	57%	0.571	S	S	.	*	H	α-helix	trans	-63	-40.2	174.4	-76.9	-179.8	-9.4	0	0	111.6	D138 S139 E140 N145 I146	D138-Q142 WeakPolarHBondContact O-CB 3.25Å; D138-Q142 VanDerWaalsContact O-CG 3.23Å; D138-Q142 WeakPolarHBondContact O-CG 3.3Å; D138-Q142 PolarHBondContact O-N 3.05Å; S139-Q142 PolarHBondContact O-N 3.37Å; E140-Q142 PolarHBondContact O-N 3.41Å; Q142-N145 PolarHBondContact O-N 3.06Å; Q142-I146 WeakPolarHBondContact O-CB 3.46Å; Q142-I146 WeakPolarHBondContact O-CD1 3.26Å; Q142-I146 WeakPolarHBondContact O-CG1 3.48Å; Q142-I146 PolarHBondContact O-N 3.16Å
143	N	63.7	Low	54.6	Low	98 Å²	98	110.4 Å²	110.4	52%	0.524	56%	0.557	S	S	.	*	H	α-helix	trans	-66.8	-40.6	176.9	-76	-23.2	0	0	0	112.5	S139 E140 W141 N145 I146 Q147	S139-N143 WeakPolarHBondContact O-CB 3.39Å; S139-N143 PolarHBondContact O-N 3.08Å; S139-N143 PolarHBondContact O-ND2 3.05Å; E140-N143 PolarHBondContact O-N 3.22Å; W141-N143 VanDerWaalsContact C-N 3.33Å; W141-N143 PolarHBondContact O-N 3.37Å; N143-N145 VanDerWaalsContact C-N 3.32Å; N143-I146 PolarHBondContact O-N 3.28Å; N143-Q147 WeakPolarHBondContact O-CB 2.95Å; N143-Q147 PolarHBondContact O-N 3.29Å
144	E	66.2	Low	55.6	Low	121 Å²	121	109.2 Å²	109.2	57%	0.565	54%	0.543	S	S	*	.	H	α-helix	trans	-63.6	-40.2	174	-74.8	-173.3	171.6	0	0	111.4	E140 W141 Q147 L148	E140-E144 WeakPolarHBondContact O-CG 3.45Å; E140-E144 PolarHBondContact O-N 2.89Å; W141-E144 PolarHBondContact O-N 3.28Å; E144-Q147 PolarHBondContact O-N 3.44Å; E144-L148 WeakPolarHBondContact O-CB 3.47Å; E144-L148 WeakPolarHBondContact O-CG 3.42Å; E144-L148 PolarHBondContact O-N 2.93Å
145	N	61.7	Low	56.3	Low	80 Å²	80	104.2 Å²	104.2	43%	0.428	53%	0.529	S	S	.	.	H	α-helix	trans	-68.7	-37.1	178.2	-151	14.5	0	0	0	111.6	W141 Q142 N143 L148 S149	W141-N145 WeakPolarHBondContact O-CB 3.36Å; W141-N145 PolarHBondContact O-N 2.58Å; Q142-N145 PolarHBondContact O-N 3.06Å; N143-N145 VanDerWaalsContact C-N 3.32Å; N145-L148 PolarHBondContact O-N 3.31Å; N145-S149 WeakPolarHBondContact O-CB 3.4Å; N145-S149 PolarHBondContact O-N 3.45Å
146	I	69.8	Low	56.7	Low	104 Å²	104	105.2 Å²	105.2	53%	0.533	54%	0.535	S	S	.	.	H	α-helix	trans	-66.4	-42.5	172.1	-68.6	163.8	0	0	0	110.6	Q142 N143 L148 S149 K150	Q142-I146 WeakPolarHBondContact O-CB 3.46Å; Q142-I146 WeakPolarHBondContact O-CD1 3.26Å; Q142-I146 WeakPolarHBondContact O-CG1 3.48Å; Q142-I146 PolarHBondContact O-N 3.16Å; N143-I146 PolarHBondContact O-N 3.28Å; I146-L148 PolarHBondContact O-N 3.32Å; I146-S149 WeakPolarHBondContact CA-OG 3.37Å; I146-S149 PolarHBondContact O-N 2.96Å; I146-S149 PolarHBondContact O-OG 3.27Å; I146-K150 WeakPolarHBondContact O-CB 3.25Å; I146-K150 PolarHBondContact O-N 3.04Å
147	Q	68.2	Low	56.7	Low	141 Å²	141	103.5 Å²	103.5	66%	0.659	53%	0.532	S	S	*	.	H	α-helix	trans	-62.1	-41.3	174.9	-86.3	-172.6	-25.5	0	0	112.3	N143 E144 K150 Y151	N143-Q147 WeakPolarHBondContact O-CB 2.95Å; N143-Q147 PolarHBondContact O-N 3.29Å; E144-Q147 PolarHBondContact O-N 3.44Å; Q147-K150 PolarHBondContact O-N 3.16Å; Q147-Y151 WeakPolarHBondContact O-CB 3.42Å; Q147-Y151 PolarHBondContact O-N 2.84Å
148	L	58.1	Low	56.2	Low	94 Å²	94	102.8 Å²	102.8	49%	0.492	53%	0.531	S	S	.	.	H	α-helix	trans	-62.2	-43.9	173.5	-82.9	159.9	0	0	0	111.5	E144 N145 I146 K150 Y151 L152	E144-L148 WeakPolarHBondContact O-CB 3.47Å; E144-L148 WeakPolarHBondContact O-CG 3.42Å; E144-L148 PolarHBondContact O-N 2.93Å; N145-L148 PolarHBondContact O-N 3.31Å; I146-L148 PolarHBondContact O-N 3.32Å; L148-K150 VanDerWaalsContact C-N 3.33Å; L148-K150 PolarHBondContact O-N 3.1Å; L148-Y151 PolarHBondContact O-N 2.91Å; L148-L152 WeakPolarHBondContact O-CG 3.43Å; L148-L152 PolarHBondContact O-N 3.2Å
149	S	63.2	Low	55.7	Low	56 Å²	56	105.8 Å²	105.8	39%	0.392	55%	0.547	S	S	.	.	H	α-helix	trans	-61.9	-41.6	176.6	77.4	0	0	0	0	111.8	N145 I146 L152 I153	N145-S149 WeakPolarHBondContact O-CB 3.4Å; N145-S149 PolarHBondContact O-N 3.45Å; I146-S149 WeakPolarHBondContact CA-OG 3.37Å; I146-S149 PolarHBondContact O-N 2.96Å; I146-S149 PolarHBondContact O-OG 3.27Å; S149-L152 PolarHBondContact O-N 3.24Å; S149-I153 WeakPolarHBondContact O-CD1 3.11Å; S149-I153 VanDerWaalsContact O-CG1 3.24Å; S149-I153 WeakPolarHBondContact O-CG1 3.43Å; S149-I153 PolarHBondContact O-N 2.93Å
150	K	62.9	Low	54.8	Low	130 Å²	130	110.2 Å²	110.2	57%	0.565	57%	0.572	S	S	*	*	H	α-helix	trans	-67.1	-43.6	178	-170.4	177.1	178.9	-178.6	0	111.6	I146 Q147 L148 L152 I153 D154	I146-K150 WeakPolarHBondContact O-CB 3.25Å; I146-K150 PolarHBondContact O-N 3.04Å; Q147-K150 PolarHBondContact O-N 3.16Å; L148-K150 VanDerWaalsContact C-N 3.33Å; L148-K150 PolarHBondContact O-N 3.1Å; K150-L152 VanDerWaalsContact C-N 3.32Å; K150-L152 PolarHBondContact O-N 2.76Å; K150-I153 PolarHBondContact O-N 2.79Å; K150-D154 WeakPolarHBondContact O-CB 3.3Å; K150-D154 VanDerWaalsContact O-CG 3.26Å; K150-D154 PolarHBondContact O-N 3.29Å
151	Y	64.8	Low	53.5	Low	169 Å²	169	109.9 Å²	109.9	66%	0.663	58%	0.583	S	S	*	*	H	α-helix	trans	-61.8	-40.6	176.5	-172.1	-90.4	0	0	0	111.9	Q147 L148 D154 S155	Q147-Y151 WeakPolarHBondContact O-CB 3.42Å; Q147-Y151 PolarHBondContact O-N 2.84Å; L148-Y151 PolarHBondContact O-N 2.91Å; Y151-D154 PolarHBondContact O-N 3.49Å; Y151-S155 WeakPolarHBondContact O-CB 3.5Å; Y151-S155 PolarHBondContact O-N 2.95Å; Y151-S155 PolarHBondContact O-OG 2.66Å
152	L	59	Low	52.4	Low	111 Å²	111	111 Å²	111	58%	0.581	59%	0.594	S	S	*	*	H	α-helix	trans	-64.9	-43	176	-73.7	169.4	0	0	0	111.5	L148 S149 K150 S155 T156	L148-L152 WeakPolarHBondContact O-CG 3.43Å; L148-L152 PolarHBondContact O-N 3.2Å; S149-L152 PolarHBondContact O-N 3.24Å; K150-L152 VanDerWaalsContact C-N 3.32Å; K150-L152 PolarHBondContact O-N 2.76Å; L152-S155 WeakPolarHBondContact CA-OG 3.19Å; L152-S155 PolarHBondContact O-N 2.89Å; L152-S155 PolarHBondContact O-OG 2.8Å; L152-T156 WeakPolarHBondContact O-CG2 3.09Å; L152-T156 PolarHBondContact O-N 3.04Å; L152-T156 PolarHBondContact O-OG1 2.92Å
153	I	62.7	Low	51	Low	103 Å²	103	112.2 Å²	112.2	53%	0.528	61%	0.609	S	S	.	*	H	α-helix	trans	-63.9	-46	176	-66.9	163.4	0	0	0	110.9	S149 K150 S155 T156 S157	S149-I153 WeakPolarHBondContact O-CD1 3.11Å; S149-I153 VanDerWaalsContact O-CG1 3.24Å; S149-I153 WeakPolarHBondContact O-CG1 3.43Å; S149-I153 PolarHBondContact O-N 2.93Å; K150-I153 PolarHBondContact O-N 2.79Å; I153-S155 VanDerWaalsContact C-N 3.34Å; I153-S155 PolarHBondContact O-N 3.22Å; I153-T156 PolarHBondContact O-N 3.36Å; I153-T156 VanDerWaalsContact O-N 3.12Å; I153-T156 PolarHBondContact O-OG1 3.24Å; I153-S157 PolarHBondContact O-N 3.47Å; I153-S157 PolarHBondContact O-OG 3.48Å
154	D	56.9	Low	49.3	Very low	80 Å²	80	117.3 Å²	117.3	43%	0.428	63%	0.627	S	S	.	*	H	α-helix	trans	-64.4	-39.2	179.9	-70.8	-13.1	0	0	0	111	K150 Y151 T156 S157 S158	K150-D154 WeakPolarHBondContact O-CB 3.3Å; K150-D154 VanDerWaalsContact O-CG 3.26Å; K150-D154 PolarHBondContact O-N 3.29Å; Y151-D154 PolarHBondContact O-N 3.49Å; D154-T156 VanDerWaalsContact C-N 3.25Å; D154-T156 PolarHBondContact O-N 2.81Å; D154-S157 WeakPolarHBondContact CA-OG 3.48Å; D154-S157 PolarHBondContact O-N 3.29Å; D154-S157 VanDerWaalsContact O-N 3.08Å; D154-S157 PolarHBondContact O-OG 3.03Å; D154-S158 PolarHBondContact O-N 3.3Å; D154-S158 PolarHBondContact O-OG 3.42Å
155	S	46.9	Very low	47.4	Very low	61 Å²	61	115.3 Å²	115.3	43%	0.427	64%	0.64	S	S	.	*	H	α-helix	trans	-65.1	-26.5	175	66.2	0	0	0	0	113.8	Y151 L152 I153	Y151-S155 WeakPolarHBondContact O-CB 3.5Å; Y151-S155 PolarHBondContact O-N 2.95Å; Y151-S155 PolarHBondContact O-OG 2.66Å; L152-S155 WeakPolarHBondContact CA-OG 3.19Å; L152-S155 PolarHBondContact O-N 2.89Å; L152-S155 PolarHBondContact O-OG 2.8Å; I153-S155 VanDerWaalsContact C-N 3.34Å; I153-S155 PolarHBondContact O-N 3.22Å
156	T	45.7	Very low	45.7	Very low	118 Å²	118	119.1 Å²	119.1	72%	0.724	66%	0.66	S	S	*	*	H	α-helix	trans	-83.3	-15	174.4	59.7	0	0	0	0	113.2	L152 I153 D154	L152-T156 WeakPolarHBondContact O-CG2 3.09Å; L152-T156 PolarHBondContact O-N 3.04Å; L152-T156 PolarHBondContact O-OG1 2.92Å; I153-T156 PolarHBondContact O-N 3.36Å; I153-T156 VanDerWaalsContact O-N 3.12Å; I153-T156 PolarHBondContact O-OG1 3.24Å; D154-T156 VanDerWaalsContact C-N 3.25Å; D154-T156 PolarHBondContact O-N 2.81Å
157	S	40.5	Very low	44.1	Very low	76 Å²	76	120 Å²	120	53%	0.531	67%	0.672	S	S	.	*	H	α-helix	trans	-114.1	-12.5	-174.5	45.1	0	0	0	0	114.7	I153 D154 N159	I153-S157 PolarHBondContact O-N 3.47Å; I153-S157 PolarHBondContact O-OG 3.48Å; D154-S157 WeakPolarHBondContact CA-OG 3.48Å; D154-S157 PolarHBondContact O-N 3.29Å; D154-S157 VanDerWaalsContact O-N 3.08Å; D154-S157 PolarHBondContact O-OG 3.03Å; S157-N159 VanDerWaalsContact C-N 3.25Å; S157-N159 PolarHBondContact O-N 2.85Å
158	S	32.8	Very low	42.1	Very low	87 Å²	87	117.7 Å²	117.7	61%	0.608	68%	0.677	S	S	*	*			trans	-81.7	64.1	172.8	69.4	0	0	0	0	112.3	D154	D154-S158 PolarHBondContact O-N 3.3Å; D154-S158 PolarHBondContact O-OG 3.42Å
159	N	32.8	Very low	40.7	Very low	158 Å²	158	121.4 Å²	121.4	85%	0.845	70%	0.697	S	S	*	*	S	Bend	trans	-142.7	35.5	166.6	-100.4	-14.4	0	0	0	111.8	S157	S157-N159 VanDerWaalsContact C-N 3.25Å; S157-N159 PolarHBondContact O-N 2.85Å
160	V	30	Very low	38.9	Very low	138 Å²	138	125.3 Å²	125.3	84%	0.836	72%	0.722	S	S	*	*			trans	-151.8	89.3	165.7	-170.8	0	0	0	0	110.3
161	S	27.6	Very low	37	Very low	112 Å²	112	127 Å²	127	78%	0.783	74%	0.737	S	S	*	*			trans	-161.3	78.3	159.8	53.8	0	0	0	0	111.2
162	H	29.8	Very low	35.2	Very low	181 Å²	181	123.6 Å²	123.6	84%	0.838	75%	0.745	S	S	*	*			trans	-80.1	122.2	159.5	-80.5	-85.2	0	0	0	109.2	F164	H162-F164 PolarHBondContact O-N 3.46Å
163	T	27.7	Very low	33.6	Very low	138 Å²	138	123.9 Å²	123.9	85%	0.847	76%	0.756	S	S	*	*			trans	-79.8	95.7	-179	41	0	0	0	0	111.1
164	F	27.5	Very low	31.8	Very low	205 Å²	205	122.8 Å²	122.8	90%	0.899	77%	0.77	S	S	*	*			trans	-105.5	92.8	160.4	-85.7	-81.6	0	0	0	109.2	H162	H162-F164 PolarHBondContact O-N 3.46Å
165	G	27.2	Very low	30.4	Very low	80 Å²	80	125.7 Å²	125.7	83%	0.825	79%	0.791	S	S	*	*			trans	-100.3	103.7	172.1	0	0	0	0	0	110.6
166	N	26.3	Very low	29.3	Very low	160 Å²	160	127.4 Å²	127.4	86%	0.856	80%	0.802	S	S	*	*			trans	-119.4	118.3	160.1	-141.9	0.1	0	0	0	106.7	A168	N166-A168 PolarHBondContact O-N 2.99Å
167	P	36.5	Very low	28.2	Very low	122 Å²	122	129.6 Å²	129.6	79%	0.792	81%	0.809	S	S	*	*			trans	-95.1	104.4	-165.7	34.3	-29	0	0	0	110.7
168	A	26.3	Very low	27.5	Very low	92 Å²	92	133.1 Å²	133.1	76%	0.76	82%	0.821	S	S	*	*			trans	-172.2	138	151.7	0	0	0	0	0	109.1	N166	N166-A168 PolarHBondContact O-N 2.99Å
169	L	27.1	Very low	27	Very low	173 Å²	173	135.3 Å²	135.3	91%	0.906	83%	0.83	S	S	*	*			trans	83.9	76.3	163	-133.6	84	0	0	0	116.7
170	C	25.5	Very low	26.6	Very low	137 Å²	137	132.3 Å²	132.3	93%	0.926	82%	0.822	S	S	*	*			trans	-140.8	88.7	152.5	-99	0	0	0	0	108.9
171	D	22.8	Very low	26.2	Very low	165 Å²	165	133 Å²	133	88%	0.882	82%	0.821	S	S	*	*			trans	-94.6	130.2	159.3	-96.3	-28.7	0	0	0	108.8
172	A	27	Very low	26	Very low	99 Å²	99	131.4 Å²	131.4	82%	0.818	82%	0.822	S	S	*	*	S	Bend	trans	60.7	83.6	152	0	0	0	0	0	120
173	S	25.9	Very low	25.6	Very low	116 Å²	116	130.5 Å²	130.5	81%	0.811	82%	0.823	S	S	*	*			trans	-157	81.7	132.2	63.3	0	0	0	0	109.9	V175	S173-V175 PolarHBondContact O-N 3.34Å
174	G	25.1	Very low	25.4	Very low	81 Å²	81	128.8 Å²	128.8	84%	0.835	82%	0.816	S	S	*	*			trans	-76.2	109.3	172.4	0	0	0	0	0	110.5
175	V	27	Very low	25.2	Very low	141 Å²	141	124.9 Å²	124.9	86%	0.855	81%	0.814	S	S	*	*			trans	-107.4	79.8	164	-171.3	0	0	0	0	106.5	S173 L177	S173-V175 PolarHBondContact O-N 3.34Å; V175-L177 PolarHBondContact O-N 3.44Å
176	S	24.9	Very low	25	Very low	96 Å²	96	129.4 Å²	129.4	67%	0.671	81%	0.814	S	S	*	*			trans	-75.2	115	170.4	170.8	0	0	0	0	108.4	L178	S176-L178 PolarHBondContact O-N 2.89Å; S176-L178 VanDerWaalsContact O-N 3.11Å
177	L	22.2	Very low	24.8	Very low	164 Å²	164	127.9 Å²	127.9	86%	0.859	81%	0.811	S	S	*	*			trans	-46.8	109.3	163.5	-134.5	83.7	0	0	0	109.2	V175	V175-L177 PolarHBondContact O-N 3.44Å
178	L	24.9	Very low	24.2	Very low	150 Å²	150	129.5 Å²	129.5	79%	0.785	81%	0.813	S	S	*	*			trans	-119.6	111.2	164.4	-84.9	172.5	0	0	0	108.2	S176 S180	S176-L178 PolarHBondContact O-N 2.89Å; S176-L178 VanDerWaalsContact O-N 3.11Å; L178-S180 PolarHBondContact O-N 2.85Å
179	V	24	Very low	24	Very low	133 Å²	133	130.8 Å²	130.8	81%	0.806	81%	0.811	S	S	*	*			trans	-58.5	120.5	158.5	174	0	0	0	0	107.8
180	S	23.3	Very low	23.8	Very low	96 Å²	96	130.7 Å²	130.7	67%	0.671	81%	0.811	S	S	*	*			trans	-160.6	104.5	159.7	56.7	0	0	0	0	109.5	L178	L178-S180 PolarHBondContact O-N 2.85Å
181	D	21.7	Very low	23.5	Very low	151 Å²	151	132.6 Å²	132.6	81%	0.807	81%	0.806	S	S	*	*			trans	35	119.3	131.6	-63.1	-23.6	0	0	0	119.1
182	G	22.7	Very low	23.5	Very low	79 Å²	79	128.2 Å²	128.2	81%	0.814	80%	0.8	S	S	*	*				57.2	89.5	123.7	0	0	0	0	0	117.1
183	L	22.6	Very low	23.3	Very low	163 Å²	163	128.3 Å²	128.3	85%	0.853	79%	0.794	S	S	*	*			trans	-127.6	100.9	155	-87.8	157.8	0	0	0	109.5	S185	L183-S185 PolarHBondContact O-N 3.41Å
184	S	22.6	Very low	23.1	Very low	102 Å²	102	130.3 Å²	130.3	71%	0.713	80%	0.795	S	S	*	*			trans	-38.7	115.5	153.2	46.9	0	0	0	0	110.5	E186	S184-E186 PolarHBondContact O-N 2.73Å
185	S	23.9	Very low	22.8	Very low	122 Å²	122	135.2 Å²	135.2	85%	0.853	79%	0.794	S	S	*	*			trans	-80.7	111.2	168.5	39.2	0	0	0	0	108.4	L183	L183-S185 PolarHBondContact O-N 3.41Å
186	E	22.7	Very low	22.7	Very low	175 Å²	175	139 Å²	139	82%	0.818	79%	0.794	S	S	*	*			trans	-59.5	140.4	179.9	-68	178.6	144.1	0	0	112.2	S184 N188	S184-E186 PolarHBondContact O-N 2.73Å; E186-N188 PolarHBondContact O-N 2.71Å
187	T	21.7	Very low	22.6	Very low	129 Å²	129	141.8 Å²	141.8	79%	0.791	80%	0.801	S	S	*	*			trans	-64	107.3	171.2	34.6	0	0	0	0	110.7
188	N	23.6	Very low	22.5	Very low	156 Å²	156	142 Å²	142	83%	0.834	80%	0.803	S	S	*	*			trans	-96.1	96.7	162.5	-89.4	-38.1	0	0	0	109.9	E186 L190	E186-N188 PolarHBondContact O-N 2.71Å; N188-L190 PolarHBondContact O-N 2.9Å
189	V	22.8	Very low	22.7	Very low	118 Å²	118	139.8 Å²	139.8	72%	0.715	80%	0.801	S	S	*	*			trans	-62.9	103.4	169.8	177.1	0	0	0	0	108.9	Q191	V189-Q191 HydrophobicContact CG1-CB 4.5Å
190	L	23.3	Very low	22.8	Very low	172 Å²	172	141.9 Å²	141.9	90%	0.901	80%	0.802	S	S	*	*			trans	-99.5	101.8	160.4	-80.7	171.2	0	0	0	108.9	N188 G192	N188-L190 PolarHBondContact O-N 2.9Å; L190-G192 PolarHBondContact O-N 2.8Å; L190-G192 VanDerWaalsContact O-N 3.17Å
191	Q	20	Very low	22.8	Very low	176 Å²	176	144.3 Å²	144.3	82%	0.822	81%	0.806	S	S	*	*			trans	-74.1	92	-178	-166.6	166.1	7	0	0	110.2	V189	V189-Q191 HydrophobicContact CG1-CB 4.5Å
192	G	22.5	Very low	22.8	Very low	74 Å²	74	146 Å²	146	76%	0.763	81%	0.807	S	S	*	*			trans	-104.1	88.9	169.3	0	0	0	0	0	110.9	L190 L194	L190-G192 PolarHBondContact O-N 2.8Å; L190-G192 VanDerWaalsContact O-N 3.17Å; G192-L194 PolarHBondContact O-N 3.3Å
193	S	21.1	Very low	22.8	Very low	100 Å²	100	145.5 Å²	145.5	70%	0.699	80%	0.801	S	S	*	*			trans	-67.3	114.1	172.6	-90.9	0	0	0	0	111.1
194	L	21.6	Very low	23	Very low	159 Å²	159	145.6 Å²	145.6	83%	0.832	80%	0.802	S	S	*	*			trans	-125.5	97.8	156.1	-76.7	171.1	0	0	0	108.1	G192	G192-L194 PolarHBondContact O-N 3.3Å
195	K	20.7	Very low	22.9	Very low	184 Å²	184	149.6 Å²	149.6	80%	0.8	81%	0.809	S	S	*	*			trans	-72.2	128.1	164.5	-68.8	177.7	174.1	-176.8	0	107.7
196	Y	23.6	Very low	22.9	Very low	220 Å²	220	150 Å²	150	86%	0.863	80%	0.802	S	S	*	*			trans	-137	124.5	156.4	-95.7	-80.2	0	0	0	109.1
197	D	23.6	Very low	22.9	Very low	154 Å²	154	147 Å²	147	82%	0.824	80%	0.8	S	S	*	*			trans	-70.4	145.3	-176.1	-74.8	-45.3	0	0	0	112.4	S199	D197-S199 PolarHBondContact O-N 2.73Å
198	D	20.6	Very low	23	Very low	169 Å²	169	148.7 Å²	148.7	90%	0.904	80%	0.803	S	S	*	*			trans	-60.5	122.8	162.7	-76.9	-43.9	0	0	0	111
199	S	28.4	Very low	23	Very low	104 Å²	104	150.1 Å²	150.1	73%	0.727	81%	0.805	S	S	*	*			trans	-158.9	112.8	149.1	42.8	0	0	0	0	112.1	D197	D197-S199 PolarHBondContact O-N 2.73Å
200	E	25.7	Very low	23	Very low	177 Å²	177	152.3 Å²	152.3	83%	0.827	81%	0.812	S	S	*	*			trans	53.6	104.4	136.2	-64.6	-172.2	148.7	0	0	120.9
201	L	22.5	Very low	23.1	Very low	147 Å²	147	149.8 Å²	149.8	77%	0.77	81%	0.806	S	S	*	*				57.5	125.1	109.1	-97.1	149.7	0	0	0	120.6
202	K	23.2	Very low	23.4	Very low	187 Å²	187	148.8 Å²	148.8	81%	0.813	80%	0.804	S	S	*	*			trans	95.6	99	147.4	-61.3	179.9	-175.7	179.4	0	117.8
203	G	23.1	Very low	23.4	Very low	68 Å²	68	154.4 Å²	154.4	70%	0.701	81%	0.811	S	S	*	*				87.1	102.9	112	0	0	0	0	0	116
204	L	24.9	Very low	23.5	Very low	165 Å²	165	158.8 Å²	158.8	86%	0.864	82%	0.82	S	S	*	*			trans	-162.5	104.1	140.4	-103.7	136.7	0	0	0	108.8	N206	L204-N206 PolarHBondContact O-N 3Å
205	Q	20.4	Very low	23.5	Very low	185 Å²	185	157.1 Å²	157.1	86%	0.864	82%	0.82	S	S	*	*			trans	-52.7	119.6	146.7	-83.4	164.6	-55.9	0	0	107.1
206	N	25.1	Very low	23.5	Very low	131 Å²	131	151.6 Å²	151.6	70%	0.701	82%	0.815	S	S	*	*			trans	-169.6	126.1	132.1	-89.6	-19.7	0	0	0	109.6	L204 L208	L204-N206 PolarHBondContact O-N 3Å; N206-L208 PolarHBondContact O-N 3.5Å
207	S	23.5	Very low	23.6	Very low	112 Å²	112	149.3 Å²	149.3	78%	0.783	82%	0.817	S	S	*	*			trans	-28.4	116.4	165.1	45.7	0	0	0	0	114.2
208	L	23.5	Very low	23.6	Very low	165 Å²	165	151.2 Å²	151.2	86%	0.864	82%	0.821	S	S	*	*			trans	-116.2	96.5	163.9	-97.7	142.7	0	0	0	107.3	N206	N206-L208 PolarHBondContact O-N 3.5Å
209	E	22.5	Very low	23.7	Very low	186 Å²	186	151.5 Å²	151.5	87%	0.869	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-61.6	127.5	164.8	-70.3	175.7	152.3	0	0	108.8
210	L	24.2	Very low	23.4	Very low	163 Å²	163	153.6 Å²	153.6	85%	0.853	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-78.2	131.8	177.6	-76.3	155.4	0	0	0	109.6
211	P	24	Very low	23.4	Very low	119 Å²	119	154.6 Å²	154.6	77%	0.773	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-78.6	132.8	-171.5	30.9	-32.7	0	0	0	111.8	E213	P211-E213 PolarHBondContact O-N 3.41Å
212	I	25.8	Very low	23.5	Very low	156 Å²	156	156.2 Å²	156.2	80%	0.8	83%	0.825	S	S	*	*			trans	-79.8	113.9	177	-62.4	165.9	0	0	0	108.3	H214	I212-H214 PolarHBondContact O-N 3.1Å
213	E	23.7	Very low	23.4	Very low	192 Å²	192	152.1 Å²	152.1	90%	0.897	82%	0.82	S	S	*	*			trans	-69.8	111.7	173.5	-78.7	-172.5	152.3	0	0	110.7	P211 C215	P211-E213 PolarHBondContact O-N 3.41Å; E213-C215 PolarHBondContact O-N 3.19Å
214	H	22	Very low	23.5	Very low	191 Å²	191	158.1 Å²	158.1	88%	0.884	83%	0.83	S	S	*	*			trans	-66.5	109.1	169.4	-93	-88.7	0	0	0	110.8	I212	I212-H214 PolarHBondContact O-N 3.1Å
215	C	21.6	Very low	23.4	Very low	125 Å²	125	158.2 Å²	158.2	85%	0.845	83%	0.831	S	S	*	*			trans	-101.6	101.3	158.4	-160.6	0	0	0	0	108.4	E213	E213-C215 PolarHBondContact O-N 3.19Å
216	G	22.5	Very low	23.8	Very low	67 Å²	67	152 Å²	152	69%	0.691	82%	0.817	S	S	*	*			trans	-84.4	125	176.8	0	0	0	0	0	111.2
217	L	25.2	Very low	24.1	Very low	173 Å²	173	152 Å²	152	91%	0.906	82%	0.824	S	S	*	*			trans	-127.2	130.6	158.5	-84.2	167.8	0	0	0	108.8
218	E	23.9	Very low	24.2	Very low	193 Å²	193	156.6 Å²	156.6	90%	0.902	83%	0.831	S	S	*	*			trans	-69.9	152.7	-160.5	-65.4	179.6	135.1	0	0	114.7
219	Q	21.6	Very low	24.3	Very low	175 Å²	175	156.4 Å²	156.4	82%	0.818	83%	0.83	S	S	*	*			trans	-53.4	134	168.2	-61.4	169.2	-5.5	0	0	111.8
220	N	22.8	Very low	24.4	Very low	148 Å²	148	156.5 Å²	156.5	79%	0.791	83%	0.828	S	S	*	*				163.6	108.2	128.1	-86.6	-37.8	0	0	0	111.6
221	K	26.1	Very low	24.5	Very low	198 Å²	198	154 Å²	154	86%	0.861	83%	0.825	S	S	*	*				164.6	118.6	116.6	-91.3	174.3	-179.9	179.2	0	112
222	Q	23.1	Very low	24.6	Very low	181 Å²	181	155 Å²	155	85%	0.846	82%	0.823	S	S	*	*			trans	3.3	115.1	152.4	-82.2	160.7	-34.8	0	0	118.9
223	S	21.2	Very low	24.5	Very low	101 Å²	101	153 Å²	153	71%	0.706	82%	0.822	S	S	*	*			trans	-10	115.4	136.8	54.8	0	0	0	0	116.7
224	Q	26.8	Very low	24.6	Very low	194 Å²	194	151.4 Å²	151.4	91%	0.907	82%	0.82	S	S	*	*			trans	-130.5	110.3	143.7	-81.7	-169.6	-6.9	0	0	107.9
225	D	22.9	Very low	24.7	Very low	167 Å²	167	147.7 Å²	147.7	89%	0.893	82%	0.816	S	S	*	*			trans	-68.9	125.8	172.4	-66.3	-50.4	0	0	0	110.1
226	G	28.7	Very low	24.9	Very low	55 Å²	55	146.6 Å²	146.6	57%	0.567	81%	0.81	S	S	*	*			trans	-148.3	138.6	167.9	0	0	0	0	0	108.6
227	P	30.1	Very low	25	Very low	132 Å²	132	148.3 Å²	148.3	86%	0.857	81%	0.811	S	S	*	*			trans	-75.5	136.7	-153.1	30.3	-33.8	0	0	0	113	D229	P227-D229 PolarHBondContact O-N 2.68Å
228	F	26.4	Very low	25.2	Very low	208 Å²	208	149.5 Å²	149.5	91%	0.912	81%	0.809	S	S	*	*			trans	-69.2	109.1	179.2	-87.5	-100.9	0	0	0	111.5
229	D	25.3	Very low	25.2	Very low	161 Å²	161	147.3 Å²	147.3	86%	0.861	80%	0.804	S	S	*	*			trans	-85.3	123.9	163.5	-96.9	-24.5	0	0	0	109.9	P227 S231	P227-D229 PolarHBondContact O-N 2.68Å; D229-S231 PolarHBondContact O-N 3.48Å
230	F	24.4	Very low	25.4	Very low	187 Å²	187	149.9 Å²	149.9	82%	0.82	81%	0.807	S	S	*	*			trans	-83.2	93.4	-175.2	-158.4	-93	0	0	0	109.8	L232	F230-L232 HydrophobicContact CD1-CD1 4.3Å; F230-L232 HydrophobicContact CD1-CG 4.46Å; F230-L232 HydrophobicContact CE1-CD1 4.34Å; F230-L232 HydrophobicContact CE1-CG 4.29Å
231	S	25.4	Very low	25.4	Very low	112 Å²	112	150.4 Å²	150.4	78%	0.783	81%	0.809	S	S	*	*			trans	-89.7	104.1	173	62.8	0	0	0	0	110.7	D229 S233	D229-S231 PolarHBondContact O-N 3.48Å; S231-S233 PolarHBondContact O-N 2.71Å
232	L	26.1	Very low	25.2	Very low	139 Å²	139	145.4 Å²	145.4	73%	0.728	81%	0.805	S	S	*	*			trans	-61.6	111.5	166.1	-89.5	128.9	0	0	0	109.7	F230 N234	F230-L232 HydrophobicContact CD1-CD1 4.3Å; F230-L232 HydrophobicContact CD1-CG 4.46Å; F230-L232 HydrophobicContact CE1-CD1 4.34Å; F230-L232 HydrophobicContact CE1-CG 4.29Å; L232-N234 PolarHBondContact O-N 2.96Å
233	S	25	Very low	25.4	Very low	114 Å²	114	144.9 Å²	144.9	80%	0.797	81%	0.807	S	S	*	*			trans	-73.1	90.1	168.3	54.9	0	0	0	0	109.5	S231 S235	S231-S233 PolarHBondContact O-N 2.71Å; S233-S235 PolarHBondContact O-N 3.06Å
234	N	26.3	Very low	25.5	Very low	158 Å²	158	146.3 Å²	146.3	85%	0.845	81%	0.812	S	S	*	*			trans	-71.8	100.5	164.2	-92.8	-3.8	0	0	0	109.1	L232	L232-N234 PolarHBondContact O-N 2.96Å
235	S	23	Very low	25.3	Very low	113 Å²	113	146.2 Å²	146.2	79%	0.79	81%	0.812	S	S	*	*			trans	-101.8	93.3	167.6	62.3	0	0	0	0	110.2	S233	S233-S235 PolarHBondContact O-N 3.06Å
236	S	26.7	Very low	25.5	Very low	103 Å²	103	147.9 Å²	147.9	72%	0.72	81%	0.814	S	S	*	*			trans	-170.4	78.8	146.9	57.8	0	0	0	0	107.7	F238	S236-F238 PolarHBondContact O-N 3.33Å
237	S	24.9	Very low	25.3	Very low	103 Å²	103	148.6 Å²	148.6	72%	0.72	82%	0.821	S	S	*	*			trans	-65.7	110.8	170.4	-169.7	0	0	0	0	108.6	D239	S237-D239 PolarHBondContact OG-OD1 3.48Å
238	F	27.7	Very low	25	Very low	197 Å²	197	149.9 Å²	149.9	86%	0.864	82%	0.821	S	S	*	*			trans	-99.8	109.3	160.4	-98.6	-87.6	0	0	0	106.8	S236 Y240	S236-F238 PolarHBondContact O-N 3.33Å; F238-Y240 PolarHBondContact O-N 3.29Å
239	D	24.2	Very low	24.9	Very low	148 Å²	148	147.8 Å²	147.8	79%	0.791	82%	0.818	S	S	*	*			trans	-65.8	109.3	-179.1	-74.1	-24.7	0	0	0	110.4	S237	S237-D239 PolarHBondContact OG-OD1 3.48Å
240	Y	25.5	Very low	24.8	Very low	228 Å²	228	146.6 Å²	146.6	89%	0.894	82%	0.817	S	S	*	*			trans	-92.7	112.6	173.5	-130.1	-93.9	0	0	0	109.2	F238 A242	F238-Y240 PolarHBondContact O-N 3.29Å; Y240-A242 PolarHBondContact O-N 3.44Å
241	L	24.5	Very low	24.8	Very low	159 Å²	159	142.3 Å²	142.3	83%	0.832	81%	0.81	S	S	*	*			trans	-74	117.7	172.1	-81.7	164.1	0	0	0	109.6	L243	L241-L243 PolarHBondContact O-N 3.43Å
242	A	21.7	Very low	24.9	Very low	94 Å²	94	143.4 Å²	143.4	78%	0.777	81%	0.812	S	S	*	*			trans	-66.6	118.8	172.8	0	0	0	0	0	110.8	Y240	Y240-A242 PolarHBondContact O-N 3.44Å
243	L	26.5	Very low	24.9	Very low	170 Å²	170	144.9 Å²	144.9	89%	0.89	82%	0.819	S	S	*	*			trans	-111.2	118.6	166.1	-74.8	169.2	0	0	0	108.6	L241	L241-L243 PolarHBondContact O-N 3.43Å
244	T	23.3	Very low	25	Very low	130 Å²	130	147.8 Å²	147.8	80%	0.798	82%	0.82	S	S	*	*			trans	-78.2	136.5	-176.7	41.8	0	0	0	0	112.9
245	E	23.6	Very low	25.3	Very low	193 Å²	193	145.8 Å²	145.8	90%	0.902	82%	0.819	S	S	*	*			trans	40.5	92.5	152	-69	-177.8	162.7	0	0	117.4
246	E	25.7	Very low	25.8	Very low	202 Å²	202	149.4 Å²	149.4	94%	0.944	82%	0.823	S	S	*	*			trans	-76.2	127.4	162.1	-71.8	-164.9	152.6	0	0	111.1
247	G	24.4	Very low	26.3	Very low	69 Å²	69	150 Å²	150	71%	0.711	83%	0.826	S	S	*	*			trans	-92.5	140.5	169.1	0	0	0	0	0	111.6	L249	G247-L249 PolarHBondContact O-N 2.6Å
248	D	23.5	Very low	27.1	Very low	159 Å²	159	150 Å²	150	85%	0.85	82%	0.816	S	S	*	*			trans	-35.6	115.9	175.1	-74.1	-43.7	0	0	0	114.9
249	L	26	Very low	28.1	Very low	164 Å²	164	146.9 Å²	146.9	86%	0.859	81%	0.814	S	S	*	*			trans	-131.2	86.5	157.5	-75.9	173.5	0	0	0	109.8	G247 S251	G247-L249 PolarHBondContact O-N 2.6Å; L249-S251 PolarHBondContact O-N 3.18Å
250	T	23.1	Very low	29.7	Very low	136 Å²	136	143 Å²	143	83%	0.834	79%	0.793	S	S	*	*			trans	-67.8	105.5	158.3	52.8	0	0	0	0	109.2
251	S	24.5	Very low	31.5	Very low	97 Å²	97	136.9 Å²	136.9	68%	0.678	78%	0.781	S	S	*	*			trans	-143.3	94.7	160.7	63.5	0	0	0	0	110.6	L249	L249-S251 PolarHBondContact O-N 3.18Å
252	T	26.4	Very low	33.4	Very low	136 Å²	136	136.3 Å²	136.3	83%	0.834	78%	0.775	S	S	*	*			trans	25.5	95.3	139.1	-27.6	0	0	0	0	116	E254	T252-E254 PolarHBondContact O-N 3.02Å; T252-E254 VanDerWaalsContact O-N 3.16Å
253	I	27.4	Very low	35.7	Very low	170 Å²	170	135.1 Å²	135.1	87%	0.872	76%	0.757	S	S	*	*			trans	-67.7	106.3	164.6	-64.1	169.5	0	0	0	107.2
254	E	26.3	Very low	37.6	Very low	175 Å²	175	128.7 Å²	128.7	82%	0.818	73%	0.729	S	S	*	*			trans	-66.4	128	167.8	-84.7	-177.6	156.3	0	0	109.8	T252 Q256	T252-E254 PolarHBondContact O-N 3.02Å; T252-E254 VanDerWaalsContact O-N 3.16Å; E254-Q256 PolarHBondContact O-N 3.29Å
255	S	32.7	Very low	40.1	Very low	116 Å²	116	129.1 Å²	129.1	81%	0.811	72%	0.722	S	S	*	*			trans	-54.1	113.4	178.9	50.6	0	0	0	0	112
256	Q	34	Very low	42.3	Very low	188 Å²	188	122.7 Å²	122.7	88%	0.879	70%	0.702	S	S	*	*			trans	-66	138.1	170.2	-77.2	178	-8.6	0	0	110.9	E254 I258	E254-Q256 PolarHBondContact O-N 3.29Å; Q256-I258 PolarHBondContact O-N 3.17Å
257	C	36	Very low	44.3	Very low	116 Å²	116	117.5 Å²	117.5	78%	0.784	68%	0.68	S	S	*	*			trans	-63.3	112.2	-167.3	-159	0	0	0	0	112.7	T259	C257-T259 PolarHBondContact O-N 3.2Å
258	I	42.1	Very low	46.7	Very low	102 Å²	102	119.5 Å²	119.5	52%	0.523	67%	0.674	S	S	.	*			trans	-71.9	112.5	168.3	-61.8	166.2	0	0	0	107.6	Q256 A264 L267	Q256-I258 PolarHBondContact O-N 3.17Å; I258-A264 HydrophobicContact CG2-CB 4.26Å; I258-L267 HydrophobicContact CD1-CD1 4.12Å
259	T	48.4	Very low	48.9	Very low	133 Å²	133	118.2 Å²	118.2	82%	0.816	66%	0.662	S	S	*	*			trans	-91.8	-2.6	-178.2	53	0	0	0	0	114	C257	C257-T259 PolarHBondContact O-N 3.2Å
260	D	58.2	Low	50.9	Low	66 Å²	66	116.9 Å²	116.9	35%	0.353	65%	0.65	S	S	.	*			trans	-114.2	113.7	-177.7	179.6	40.5	0	0	0	111.7	E262 T263 A264	D260-E262 VanDerWaalsContact C-N 3.31Å; D260-E262 PolarHBondContact O-N 2.81Å; D260-T263 PolarHBondContact O-N 3.25Å; D260-T263 WeakPolarHBondContact OD2-CB 3.2Å; D260-T263 PolarHBondContact OD2-N 3.12Å; D260-T263 VanDerWaalsContact OD2-N 3.14Å; D260-T263 PolarHBondContact OD2-OG1 3.28Å; D260-A264 PolarHBondContact O-N 2.81Å
261	P	64	Low	53.2	Low	99 Å²	99	116.7 Å²	116.7	64%	0.643	64%	0.64	S	S	*	*	H	α-helix	trans	-64.9	-29.9	-177.8	18.7	-25.5	0	0	0	113.7	A264 E265	P261-A264 PolarHBondContact O-N 2.84Å; P261-E265 PolarHBondContact O-N 3.07Å
262	E	63.7	Low	55.2	Low	148 Å²	148	117.9 Å²	117.9	69%	0.692	63%	0.634	S	S	*	*	H	α-helix	trans	-68.3	-39.8	177.1	-71.2	178.6	175.2	0	0	111.2	D260 A264 E265 A266	D260-E262 VanDerWaalsContact C-N 3.31Å; D260-E262 PolarHBondContact O-N 2.81Å; E262-A264 PolarHBondContact O-N 2.86Å; E262-E265 PolarHBondContact O-N 3.29Å; E262-A266 WeakPolarHBondContact O-CB 3.39Å; E262-A266 PolarHBondContact O-N 3.36Å
263	T	69.2	Low	56.1	Low	68 Å²	68	117 Å²	117	42%	0.417	62%	0.624	S	S	.	*	H	α-helix	trans	-63.8	-39.4	174.5	-57.9	0	0	0	0	112	D260 L267	D260-T263 PolarHBondContact O-N 3.25Å; D260-T263 WeakPolarHBondContact OD2-CB 3.2Å; D260-T263 PolarHBondContact OD2-N 3.12Å; D260-T263 VanDerWaalsContact OD2-N 3.14Å; D260-T263 PolarHBondContact OD2-OG1 3.28Å; T263-L267 HydrophobicContact CG2-CD1 4.28Å; T263-L267 WeakPolarHBondContact O-CG 3.29Å; T263-L267 PolarHBondContact O-N 3.4Å; T263-L267 VanDerWaalsContact O-N 3.09Å
264	A	67.8	Low	57.4	Low	35 Å²	35	112.8 Å²	112.8	29%	0.289	61%	0.606	S	S	.	*	H	α-helix	trans	-67.1	-37.9	177	0	0	0	0	0	112.4	I258 D260 P261 E262 L267 L268	I258-A264 HydrophobicContact CG2-CB 4.26Å; D260-A264 PolarHBondContact O-N 2.81Å; P261-A264 PolarHBondContact O-N 2.84Å; E262-A264 PolarHBondContact O-N 2.86Å; A264-L267 PolarHBondContact O-N 2.89Å; A264-L268 PolarHBondContact O-N 2.92Å
265	E	75.5	Confident	58.6	Low	140 Å²	140	108.4 Å²	108.4	65%	0.654	60%	0.6	S	S	*	*	H	α-helix	trans	-68.9	-42	177.5	-162	171.7	-161.8	0	0	111.6	P261 E262 L267 L268 E269	P261-E265 PolarHBondContact O-N 3.07Å; E262-E265 PolarHBondContact O-N 3.29Å; E265-L267 VanDerWaalsContact C-N 3.33Å; E265-L267 PolarHBondContact O-N 2.84Å; E265-L268 PolarHBondContact O-N 3.47Å; E265-E269 PolarHBondContact O-N 3.07Å
266	A	69.4	Low	59	Low	57 Å²	57	109.3 Å²	109.3	47%	0.471	59%	0.591	S	S	.	*	H	α-helix	trans	-63.6	-36.7	175.2	0	0	0	0	0	112.8	E262 E269 F270	E262-A266 WeakPolarHBondContact O-CB 3.39Å; E262-A266 PolarHBondContact O-N 3.36Å; A266-E269 PolarHBondContact O-N 2.61Å; A266-F270 WeakPolarHBondContact O-CB 3.45Å; A266-F270 PolarHBondContact O-N 2.75Å
267	L	68.4	Low	59	Low	93 Å²	93	104.6 Å²	104.6	49%	0.487	58%	0.579	S	S	.	*	H	α-helix	trans	-68.9	-38.9	175.2	-75.4	170.7	0	0	0	112.1	I258 T263 A264 E265 F270 E271	I258-L267 HydrophobicContact CD1-CD1 4.12Å; T263-L267 HydrophobicContact CG2-CD1 4.28Å; T263-L267 WeakPolarHBondContact O-CG 3.29Å; T263-L267 PolarHBondContact O-N 3.4Å; T263-L267 VanDerWaalsContact O-N 3.09Å; A264-L267 PolarHBondContact O-N 2.89Å; E265-L267 VanDerWaalsContact C-N 3.33Å; E265-L267 PolarHBondContact O-N 2.84Å; L267-F270 PolarHBondContact O-N 3.31Å; L267-E271 WeakPolarHBondContact O-CB 3.32Å; L267-E271 PolarHBondContact O-N 3.01Å
268	L	73.7	Confident	58.8	Low	111 Å²	111	104.1 Å²	104.1	58%	0.581	58%	0.575	S	S	*	*	H	α-helix	trans	-63.7	-41.5	173	-89.1	161.9	0	0	0	111.8	A264 E265 F270 E271 Q272	A264-L268 PolarHBondContact O-N 2.92Å; E265-L268 PolarHBondContact O-N 3.47Å; L268-F270 VanDerWaalsContact C-N 3.33Å; L268-E271 PolarHBondContact O-N 2.85Å; L268-Q272 VanDerWaalsContact O-CB 3.25Å; L268-Q272 WeakPolarHBondContact O-CB 3.45Å; L268-Q272 PolarHBondContact O-N 3.04Å
269	E	70.8	Confident	58.2	Low	132 Å²	132	104.7 Å²	104.7	62%	0.617	59%	0.586	S	S	*	*	H	α-helix	trans	-65.7	-39.2	177.1	-150.2	-179.9	-159.1	0	0	111.1	E265 A266 Q272 L273	E265-E269 PolarHBondContact O-N 3.07Å; A266-E269 PolarHBondContact O-N 2.61Å; E269-Q272 PolarHBondContact O-N 2.8Å; E269-L273 WeakPolarHBondContact O-CB 3.36Å; E269-L273 WeakPolarHBondContact O-CG 3.08Å; E269-L273 PolarHBondContact O-N 2.92Å
270	F	67.3	Low	57.3	Low	136 Å²	136	106.7 Å²	106.7	60%	0.596	59%	0.591	S	S	*	*	H	α-helix	trans	-66.1	-46	174.2	-176	-100.3	0	0	0	112.4	A266 L267 L268 Q272 L273 V274	A266-F270 WeakPolarHBondContact O-CB 3.45Å; A266-F270 PolarHBondContact O-N 2.75Å; L267-F270 PolarHBondContact O-N 3.31Å; L268-F270 VanDerWaalsContact C-N 3.33Å; F270-Q272 VanDerWaalsContact C-N 3.29Å; F270-Q272 PolarHBondContact O-N 2.79Å; F270-L273 PolarHBondContact O-N 2.87Å; F270-V274 HydrophobicContact CD1-CG2 4.22Å; F270-V274 HydrophobicContact CE1-CG2 3.87Å; F270-V274 HydrophobicContact CE2-CG2 4.47Å; F270-V274 HydrophobicContact CZ-CG2 4.01Å; F270-V274 WeakPolarHBondContact O-CG2 3.27Å; F270-V274 PolarHBondContact O-N 2.9Å
271	E	71.4	Confident	55.7	Low	133 Å²	133	110 Å²	110	62%	0.621	61%	0.609	S	S	*	*	H	α-helix	trans	-63.4	-37.6	177.1	-168.6	177.1	-168.2	0	0	111.2	L267 L268 V274 A275	L267-E271 WeakPolarHBondContact O-CB 3.32Å; L267-E271 PolarHBondContact O-N 3.01Å; L268-E271 PolarHBondContact O-N 2.85Å; E271-V274 PolarHBondContact O-N 2.89Å; E271-A275 VanDerWaalsContact O-CB 3.31Å; E271-A275 WeakPolarHBondContact O-CB 3.37Å; E271-A275 PolarHBondContact O-N 3.38Å
272	Q	66.7	Low	54	Low	121 Å²	121	114.2 Å²	114.2	57%	0.565	62%	0.617	S	S	*	*	H	α-helix	trans	-67.2	-36.9	175	-167.9	167	17.7	0	0	112.4	L268 E269 F270 Q276	L268-Q272 VanDerWaalsContact O-CB 3.25Å; L268-Q272 WeakPolarHBondContact O-CB 3.45Å; L268-Q272 PolarHBondContact O-N 3.04Å; E269-Q272 PolarHBondContact O-N 2.8Å; F270-Q272 VanDerWaalsContact C-N 3.29Å; F270-Q272 PolarHBondContact O-N 2.79Å; Q272-Q276 WeakPolarHBondContact O-CB 3.49Å; Q272-Q276 VanDerWaalsContact O-CG 3.31Å; Q272-Q276 WeakPolarHBondContact O-CG 3.39Å; Q272-Q276 PolarHBondContact O-N 3.02Å; Q272-Q276 VanDerWaalsContact O-N 3.12Å
273	L	45.7	Very low	52	Low	119 Å²	119	114 Å²	114	62%	0.623	63%	0.626	S	S	*	*	H	α-helix	trans	-67.8	-39.1	173.5	-78.5	167.1	0	0	0	112.2	E269 F270 Q276	E269-L273 WeakPolarHBondContact O-CB 3.36Å; E269-L273 WeakPolarHBondContact O-CG 3.08Å; E269-L273 PolarHBondContact O-N 2.92Å; F270-L273 PolarHBondContact O-N 2.87Å; L273-Q276 PolarHBondContact O-N 3.47Å
274	V	54	Low	49.9	Very low	80 Å²	80	115.9 Å²	115.9	49%	0.485	64%	0.64	S	S	.	*	H	α-helix	trans	-67.5	-43.5	175.8	173.2	0	0	0	0	110.5	F270 E271 Q276 S277	F270-V274 HydrophobicContact CD1-CG2 4.22Å; F270-V274 HydrophobicContact CE1-CG2 3.87Å; F270-V274 HydrophobicContact CE2-CG2 4.47Å; F270-V274 HydrophobicContact CZ-CG2 4.01Å; F270-V274 WeakPolarHBondContact O-CG2 3.27Å; F270-V274 PolarHBondContact O-N 2.9Å; E271-V274 PolarHBondContact O-N 2.89Å; V274-Q276 VanDerWaalsContact C-N 3.25Å; V274-Q276 PolarHBondContact O-N 3.37Å; V274-S277 PolarHBondContact O-N 2.99Å; V274-S277 PolarHBondContact O-OG 3.14Å
275	A	51.8	Low	47.9	Very low	83 Å²	83	120 Å²	120	69%	0.686	67%	0.666	S	S	*	*	H	α-helix	trans	-66.8	-24.3	178.7	0	0	0	0	0	113.4	E271 S277	E271-A275 VanDerWaalsContact O-CB 3.31Å; E271-A275 WeakPolarHBondContact O-CB 3.37Å; E271-A275 PolarHBondContact O-N 3.38Å; A275-S277 VanDerWaalsContact C-N 3.25Å; A275-S277 PolarHBondContact O-N 3.02Å
276	Q	41.7	Very low	45.5	Very low	135 Å²	135	120.8 Å²	120.8	63%	0.631	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	16.6	176.8	-73.6	-176.8	25	0	0	114.3	Q272 L273 V274 P278	Q272-Q276 WeakPolarHBondContact O-CB 3.49Å; Q272-Q276 VanDerWaalsContact O-CG 3.31Å; Q272-Q276 WeakPolarHBondContact O-CG 3.39Å; Q272-Q276 PolarHBondContact O-N 3.02Å; Q272-Q276 VanDerWaalsContact O-N 3.12Å; L273-Q276 PolarHBondContact O-N 3.47Å; V274-Q276 VanDerWaalsContact C-N 3.25Å; V274-Q276 PolarHBondContact O-N 3.37Å; Q276-P278 WeakPolarHBondContact O-CD 3.18Å
277	S	32.3	Very low	43.2	Very low	89 Å²	89	125.9 Å²	125.9	62%	0.622	69%	0.687	S	S	*	*			trans	-100.2	78.6	170.6	61.7	0	0	0	0	111.8	V274 A275 C279	V274-S277 PolarHBondContact O-N 2.99Å; V274-S277 PolarHBondContact O-OG 3.14Å; A275-S277 VanDerWaalsContact C-N 3.25Å; A275-S277 PolarHBondContact O-N 3.02Å; S277-C279 PolarHBondContact O-N 2.89Å
278	P	32.4	Very low	41.2	Very low	107 Å²	107	129 Å²	129	70%	0.695	70%	0.699	S	S	*	*			trans	-73	115	173.8	30.4	-31.8	0	0	0	109.8	Q276 L280	Q276-P278 WeakPolarHBondContact O-CD 3.18Å; P278-L280 PolarHBondContact O-N 3.18Å
279	C	29	Very low	39	Very low	114 Å²	114	131.5 Å²	131.5	77%	0.77	71%	0.711	S	S	*	*			trans	-5.3	98.7	156.3	-162.1	0	0	0	0	115.2	S277	S277-C279 PolarHBondContact O-N 2.89Å
280	L	29.8	Very low	36.9	Very low	174 Å²	174	131.3 Å²	131.3	91%	0.911	71%	0.714	S	S	*	*			trans	-101.1	76.6	169.8	-93.7	153.4	0	0	0	109.2	P278	P278-L280 PolarHBondContact O-N 3.18Å
281	D	25.2	Very low	34.8	Very low	135 Å²	135	134.2 Å²	134.2	72%	0.722	73%	0.729	S	S	*	*			trans	-75.5	143.5	156.4	-101.2	-26.2	0	0	0	109.7
282	K	28.3	Very low	32.6	Very low	188 Å²	188	133.7 Å²	133.7	82%	0.817	74%	0.735	S	S	*	*			trans	90.8	86.8	174.9	-54.4	-179.9	-176.6	177	0	115.5	P284	K282-P284 WeakPolarHBondContact O-CD 3.45Å
283	T	22.2	Very low	30.6	Very low	143 Å²	143	135.8 Å²	135.8	88%	0.877	75%	0.75	S	S	*	*			trans	-44.1	128.8	151.3	51.1	0	0	0	0	113
284	P	24.5	Very low	29.6	Very low	109 Å²	109	137.7 Å²	137.7	71%	0.708	76%	0.76	S	S	*	*			trans	-117	126.4	145	24.5	-6.3	0	0	0	109.6	K282 I286	K282-P284 WeakPolarHBondContact O-CD 3.45Å; P284-I286 PolarHBondContact O-N 3.22Å
285	S	25	Very low	28.2	Very low	120 Å²	120	143.4 Å²	143.4	84%	0.839	78%	0.778	S	S	*	*			trans	-49.3	116	168.4	49.3	0	0	0	0	112
286	I	25.7	Very low	26.9	Very low	158 Å²	158	147 Å²	147	81%	0.81	78%	0.78	S	S	*	*			trans	-133.2	115.9	158.8	-61.9	-178.3	0	0	0	108.5	P284	P284-I286 PolarHBondContact O-N 3.22Å
287	E	21.4	Very low	26.1	Very low	164 Å²	164	147.8 Å²	147.8	77%	0.766	79%	0.789	S	S	*	*			trans	-56.2	146.3	172.7	-78.1	175.5	159.6	0	0	114
288	H	26.2	Very low	25.7	Very low	158 Å²	158	152.3 Å²	152.3	73%	0.731	80%	0.8	S	S	*	*			trans	57.2	74.6	154.7	-64.8	93	0	0	0	118
289	I	28	Very low	25.6	Very low	163 Å²	163	151.7 Å²	151.7	84%	0.836	80%	0.798	S	S	*	*			trans	-94.2	102.5	151.1	-62.4	177.5	0	0	0	107.7	H291	I289-H291 PolarHBondContact O-N 2.68Å
290	N	25.4	Very low	25.6	Very low	129 Å²	129	152.5 Å²	152.5	69%	0.69	79%	0.794	S	S	*	*			trans	-52.4	131.3	172	-76.8	-36.8	0	0	0	111.2	T292	N290-T292 PolarHBondContact O-N 2.91Å
291	H	24.7	Very low	25.7	Very low	196 Å²	196	153 Å²	153	91%	0.907	79%	0.791	S	S	*	*			trans	-58	94.5	172.4	-73.3	-92.6	0	0	0	111.5	I289	I289-H291 PolarHBondContact O-N 2.68Å
292	T	24.2	Very low	26.5	Very low	122 Å²	122	151.9 Å²	151.9	75%	0.748	78%	0.78	S	S	*	*			trans	-143.1	71.8	160.3	28.9	0	0	0	0	109.2	N290	N290-T292 PolarHBondContact O-N 2.91Å
293	L	24.4	Very low	27.2	Very low	165 Å²	165	148.1 Å²	148.1	86%	0.864	77%	0.769	S	S	*	*			trans	-156.7	70.8	165.4	-117.5	163.4	0	0	0	110.4
294	L	25.8	Very low	28.5	Very low	160 Å²	160	147.3 Å²	147.3	84%	0.838	75%	0.75	S	S	*	*			trans	-166.8	57.8	143.1	-96.8	147.6	0	0	0	105.2	H296	L294-H296 PolarHBondContact O-N 2.72Å
295	K	24.6	Very low	29.7	Very low	199 Å²	199	149.4 Å²	149.4	87%	0.865	76%	0.755	S	S	*	*			trans	-61.9	98.1	152	-91.4	-176.9	174.2	-178.9	0	103.9	N297	K295-N297 PolarHBondContact O-N 2.81Å
296	H	23.9	Very low	30.6	Very low	160 Å²	160	150.2 Å²	150.2	74%	0.741	75%	0.75	S	S	*	*			trans	-38.8	119	153	-112.4	-91.3	0	0	0	105	L294 E298	L294-H296 PolarHBondContact O-N 2.72Å; H296-E298 PolarHBondContact O-N 2.8Å
297	N	24.8	Very low	31.7	Very low	151 Å²	151	144.5 Å²	144.5	81%	0.807	72%	0.721	S	S	*	*			trans	-55.1	95.6	157.2	-92.3	-20.5	0	0	0	103.9	K295 S299	K295-N297 PolarHBondContact O-N 2.81Å; N297-S299 PolarHBondContact O-N 2.89Å
298	E	23.8	Very low	33.5	Very low	183 Å²	183	141.9 Å²	141.9	86%	0.855	71%	0.712	S	S	*	*			trans	-61.5	71.4	149.6	-73.6	-179	161.1	0	0	104.5	H296 L300	H296-E298 PolarHBondContact O-N 2.8Å; E298-L300 PolarHBondContact O-N 3.03Å
299	S	30.5	Very low	35	Very low	94 Å²	94	142.2 Å²	142.2	66%	0.657	71%	0.714	S	S	*	*			trans	-61.3	90.7	148.1	63.1	0	0	0	0	102.6	N297 H301	N297-S299 PolarHBondContact O-N 2.89Å; S299-H301 PolarHBondContact O-N 3.38Å
300	L	29.4	Very low	36.8	Very low	132 Å²	132	141.9 Å²	141.9	69%	0.691	71%	0.709	S	S	*	*			trans	-17.5	107.2	165.3	-158.6	80	0	0	0	107	E298 K302	E298-L300 PolarHBondContact O-N 3.03Å; L300-K302 HydrophobicContact CB-CG 4.37Å; L300-K302 HydrophobicContact CD2-CG 4.15Å; L300-K302 WeakPolarHBondContact O-CG 3.19Å; L300-K302 PolarHBondContact O-N 2.7Å
301	H	31.7	Very low	38.9	Very low	183 Å²	183	140.6 Å²	140.6	85%	0.847	70%	0.699	S	S	*	*			trans	-57.5	89.9	169.7	-98.3	-92.6	0	0	0	104.2	S299 D303	S299-H301 PolarHBondContact O-N 3.38Å; H301-D303 VanDerWaalsContact C-N 3.35Å; H301-D303 PolarHBondContact O-N 3.39Å
302	K	41.4	Very low	40.9	Very low	113 Å²	113	133.2 Å²	133.2	49%	0.491	67%	0.666	S	S	.	*			trans	-74	100	-178.6	-79.8	169.7	179.8	179.8	0	102.9	L300 W304	L300-K302 HydrophobicContact CB-CG 4.37Å; L300-K302 HydrophobicContact CD2-CG 4.15Å; L300-K302 WeakPolarHBondContact O-CG 3.19Å; L300-K302 PolarHBondContact O-N 2.7Å; K302-W304 PolarHBondContact O-N 3.06Å; K302-W304 PolarHBondContact O-NE1 3.18Å
303	D	42.7	Very low	42.8	Very low	108 Å²	108	130.2 Å²	130.2	58%	0.578	65%	0.645	S	S	*	*			trans	-48.3	100.8	177.7	-72.5	-25.2	0	0	0	109.4	H301 D305 L307	H301-D303 VanDerWaalsContact C-N 3.35Å; H301-D303 PolarHBondContact O-N 3.39Å; D303-D305 PolarHBondContact O-N 3.41Å; D303-L307 WeakPolarHBondContact O-CD1 3.35Å
304	W	49.6	Very low	45	Very low	126 Å²	126	128.1 Å²	128.1	48%	0.477	63%	0.631	S	S	.	*	S	Bend	trans	-71.1	-25	178.5	-71.3	85.6	0	0	0	110.8	K302 N306 L312 F316	K302-W304 PolarHBondContact O-N 3.06Å; K302-W304 PolarHBondContact O-NE1 3.18Å; W304-N306 VanDerWaalsContact C-N 3.33Å; W304-N306 PolarHBondContact O-N 3.35Å; W304-L312 HydrophobicContact CE3-CD2 4.32Å; W304-F316 HydrophobicContact CE3-CZ 4.46Å; W304-F316 HydrophobicContact CH2-CE1 4.44Å; W304-F316 HydrophobicContact CZ3-CD1 4.31Å; W304-F316 AromaticContact CZ3-CE1 3.81Å; W304-F316 HydrophobicContact CZ3-CE1 3.81Å; W304-F316 HydrophobicContact CZ3-CZ 4.08Å
305	D	50.7	Low	47.3	Very low	154 Å²	154	125.3 Å²	125.3	82%	0.824	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-15.5	-169.9	-57.5	-29	0	0	0	113.2	D303	D303-D305 PolarHBondContact O-N 3.41Å
306	N	44.4	Very low	49.4	Very low	137 Å²	137	121 Å²	121	73%	0.733	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.5	8.1	-174.2	-74.2	-26.8	0	0	0	114.5	W304	W304-N306 VanDerWaalsContact C-N 3.33Å; W304-N306 PolarHBondContact O-N 3.35Å
307	L	47.1	Very low	51.6	Low	38 Å²	38	117.3 Å²	117.3	20%	0.199	57%	0.574	C	S	.	*	S	Bend	trans	-90.4	137.7	-179	-75.3	144.7	0	0	0	111	D303 E311 L312	D303-L307 WeakPolarHBondContact O-CD1 3.35Å; L307-E311 HydrophobicContact CD2-CB 4.09Å; L307-E311 WeakPolarHBondContact CD2-OE2 3.48Å; L307-L312 HydrophobicContact CB-CD1 4.15Å; L307-L312 HydrophobicContact CB-CG 4.25Å
308	N	60.6	Low	53.7	Low	108 Å²	108	115.5 Å²	115.5	58%	0.578	56%	0.561	S	S	*	*			trans	-61.2	143.4	173.5	-171.5	14.4	0	0	0	110	Q310 E311 L312	N308-Q310 PolarHBondContact O-N 3.07Å; N308-E311 WeakPolarHBondContact O-CB 3.31Å; N308-E311 PolarHBondContact O-N 3.01Å; N308-L312 PolarHBondContact O-N 3.12Å
309	E	56.4	Low	55.8	Low	165 Å²	165	111.7 Å²	111.7	77%	0.771	54%	0.542	S	S	*	.	H	α-helix	trans	-50.6	-37.1	-171.7	-77.5	-173.5	156.2	0	0	113.2	L312 L313	E309-L312 PolarHBondContact O-N 3.28Å; E309-L313 WeakPolarHBondContact O-CB 3.33Å; E309-L313 PolarHBondContact O-N 3.25Å
310	Q	66.5	Low	57.1	Low	156 Å²	156	112.6 Å²	112.6	73%	0.729	53%	0.532	S	S	*	.	H	α-helix	trans	-71.7	-34.1	-178.8	-142.4	164.3	4.1	0	0	113	N308 Q314	N308-Q310 PolarHBondContact O-N 3.07Å; Q310-Q314 PolarHBondContact O-N 3.32Å
311	E	69.9	Low	58.8	Low	102 Å²	102	114.4 Å²	114.4	48%	0.477	53%	0.53	S	S	.	.	H	α-helix	trans	-74.4	-37.6	174.6	-67.1	-175.5	151.7	0	0	111.4	L307 N308 L313 Q314 R315	L307-E311 HydrophobicContact CD2-CB 4.09Å; L307-E311 WeakPolarHBondContact CD2-OE2 3.48Å; N308-E311 WeakPolarHBondContact O-CB 3.31Å; N308-E311 PolarHBondContact O-N 3.01Å; E311-L313 VanDerWaalsContact C-N 3.28Å; E311-L313 PolarHBondContact O-N 3.41Å; E311-Q314 PolarHBondContact O-N 2.79Å; E311-R315 WeakPolarHBondContact O-CB 3.05Å; E311-R315 PolarHBondContact O-N 2.98Å
312	L	67	Low	60.2	Low	42 Å²	42	107.4 Å²	107.4	22%	0.22	50%	0.504	C	S	.	.	H	α-helix	trans	-59.9	-42.5	173.6	-127.5	154	0	0	0	110.1	W304 L307 N308 E309 R315 F316	W304-L312 HydrophobicContact CE3-CD2 4.32Å; L307-L312 HydrophobicContact CB-CD1 4.15Å; L307-L312 HydrophobicContact CB-CG 4.25Å; N308-L312 PolarHBondContact O-N 3.12Å; E309-L312 PolarHBondContact O-N 3.28Å; L312-R315 PolarHBondContact O-N 3.32Å; L312-F316 HydrophobicContact CD2-CD2 3.66Å; L312-F316 HydrophobicContact CD2-CE2 3.09Å; L312-F316 HydrophobicContact CD2-CZ 3.75Å; L312-F316 WeakPolarHBondContact O-CB 3.38Å; L312-F316 WeakPolarHBondContact O-CD2 3.48Å; L312-F316 WeakPolarHBondContact O-CG 3.42Å; L312-F316 PolarHBondContact O-N 3.27Å
313	L	63.4	Low	60.9	Low	58 Å²	58	106.5 Å²	106.5	30%	0.304	50%	0.504	S	S	.	.	H	α-helix	trans	-64.2	-47	174.9	-148.4	87	0	0	0	112.8	Y96 E309 E311 R315 F316 E317	Y96-L313 HydrophobicContact CE1-CD1 4.3Å; Y96-L313 HydrophobicContact CE2-CD1 3.75Å; Y96-L313 VanDerWaalsContact CZ-CD1 3.5Å; Y96-L313 WeakPolarHBondContact OH-CD1 3.3Å; E309-L313 WeakPolarHBondContact O-CB 3.33Å; E309-L313 PolarHBondContact O-N 3.25Å; E311-L313 VanDerWaalsContact C-N 3.28Å; E311-L313 PolarHBondContact O-N 3.41Å; L313-R315 VanDerWaalsContact C-N 3.29Å; L313-R315 PolarHBondContact O-N 2.86Å; L313-F316 PolarHBondContact O-N 2.72Å; L313-E317 PolarHBondContact O-N 2.58Å
314	Q	71	Confident	61.2	Low	122 Å²	122	109.7 Å²	109.7	57%	0.57	51%	0.508	S	S	*	.	H	α-helix	trans	-61.7	-41.1	179.4	-172.6	169.6	6.3	0	0	110.9	Q310 E311 E317 E318	Q310-Q314 PolarHBondContact O-N 3.32Å; E311-Q314 PolarHBondContact O-N 2.79Å; Q314-E317 PolarHBondContact O-N 3.19Å; Q314-E318 WeakPolarHBondContact O-CB 3.39Å; Q314-E318 WeakPolarHBondContact O-CG 3.45Å; Q314-E318 PolarHBondContact O-N 3.46Å
315	R	72.9	Confident	61.2	Low	101 Å²	101	107.4 Å²	107.4	38%	0.381	51%	0.512	S	S	.	.	H	α-helix	trans	-69.5	-36.5	175.4	-75.7	-160.9	174.8	176.4	6.4	113.4	E311 L312 L313 E318 Q319	E311-R315 WeakPolarHBondContact O-CB 3.05Å; E311-R315 PolarHBondContact O-N 2.98Å; L312-R315 PolarHBondContact O-N 3.32Å; L313-R315 VanDerWaalsContact C-N 3.29Å; L313-R315 PolarHBondContact O-N 2.86Å; R315-E318 PolarHBondContact O-N 3.35Å; R315-Q319 WeakPolarHBondContact O-CB 3.18Å; R315-Q319 PolarHBondContact O-N 3.24Å
316	F	69.4	Low	60.8	Low	107 Å²	107	107.8 Å²	107.8	47%	0.469	51%	0.508	S	S	.	.	H	α-helix	trans	-65	-42.3	173.2	-83.6	-49.4	0	0	0	111.9	W304 L312 L313 Q319 Y320	W304-F316 HydrophobicContact CE3-CZ 4.46Å; W304-F316 HydrophobicContact CH2-CE1 4.44Å; W304-F316 HydrophobicContact CZ3-CD1 4.31Å; W304-F316 AromaticContact CZ3-CE1 3.81Å; W304-F316 HydrophobicContact CZ3-CE1 3.81Å; W304-F316 HydrophobicContact CZ3-CZ 4.08Å; L312-F316 HydrophobicContact CD2-CD2 3.66Å; L312-F316 HydrophobicContact CD2-CE2 3.09Å; L312-F316 HydrophobicContact CD2-CZ 3.75Å; L312-F316 WeakPolarHBondContact O-CB 3.38Å; L312-F316 WeakPolarHBondContact O-CD2 3.48Å; L312-F316 WeakPolarHBondContact O-CG 3.42Å; L312-F316 PolarHBondContact O-N 3.27Å; L313-F316 PolarHBondContact O-N 2.72Å; F316-Q319 PolarHBondContact O-N 3.48Å; F316-Y320 VanDerWaalsContact O-CB 3.26Å; F316-Y320 WeakPolarHBondContact O-CB 3.5Å; F316-Y320 PolarHBondContact O-N 3.1Å
317	E	69.3	Low	60.5	Low	83 Å²	83	107 Å²	107	39%	0.388	51%	0.508	S	S	.	.	H	α-helix	trans	-62.8	-42.2	173.7	-80.7	-160.7	-171	0	0	111.9	L313 Q314 Y320 R321	L313-E317 PolarHBondContact O-N 2.58Å; Q314-E317 PolarHBondContact O-N 3.19Å; E317-Y320 PolarHBondContact O-N 2.92Å; E317-R321 WeakPolarHBondContact O-CB 3.27Å; E317-R321 VanDerWaalsContact O-CG 3.23Å; E317-R321 WeakPolarHBondContact O-CG 3.36Å; E317-R321 PolarHBondContact O-N 3.46Å; E317-R321 IonicContact OE2-CZ 3.54Å; E317-R321 IonicContact OE2-NH2 3.01Å; E317-R321 PolarHBondContact OE2-NH2 3.4Å
318	E	69.5	Low	59.7	Low	114 Å²	114	114.1 Å²	114.1	53%	0.533	54%	0.537	S	S	.	.	H	α-helix	trans	-61.9	-45.7	176.7	-78.8	175	-173.6	0	0	111.8	Q314 R315 R321 A322	Q314-E318 WeakPolarHBondContact O-CB 3.39Å; Q314-E318 WeakPolarHBondContact O-CG 3.45Å; Q314-E318 PolarHBondContact O-N 3.46Å; R315-E318 PolarHBondContact O-N 3.35Å; E318-R321 PolarHBondContact O-N 2.89Å; E318-A322 WeakPolarHBondContact O-CB 3.42Å; E318-A322 PolarHBondContact O-N 2.69Å
319	Q	68.2	Low	58.1	Low	102 Å²	102	113.9 Å²	113.9	48%	0.477	54%	0.544	S	S	.	.	H	α-helix	trans	-64.5	-44.3	177.3	-169.2	65	37.7	0	0	111	R315 F316 R321 A322 D323	R315-Q319 WeakPolarHBondContact O-CB 3.18Å; R315-Q319 PolarHBondContact O-N 3.24Å; F316-Q319 PolarHBondContact O-N 3.48Å; Q319-R321 VanDerWaalsContact C-N 3.29Å; Q319-R321 PolarHBondContact O-N 2.85Å; Q319-A322 PolarHBondContact O-N 3.37Å; Q319-D323 PolarHBondContact NE2-OD1 3.21Å; Q319-D323 VanDerWaalsContact NE2-OD1 3.15Å; Q319-D323 PolarHBondContact O-N 2.9Å
320	Y	57.8	Low	56.7	Low	113 Å²	113	111.2 Å²	111.2	44%	0.443	54%	0.544	S	S	.	.	H	α-helix	trans	-65.3	-32.7	178.3	-158.5	-92.3	0	0	0	112.3	M93 F316 E317 R324	M93-Y320 HydrophobicContact CE-CE2 4Å; M93-Y320 HydrophobicContact SD-CD2 4.36Å; M93-Y320 HydrophobicContact SD-CE2 4.08Å; F316-Y320 VanDerWaalsContact O-CB 3.26Å; F316-Y320 WeakPolarHBondContact O-CB 3.5Å; F316-Y320 PolarHBondContact O-N 3.1Å; E317-Y320 PolarHBondContact O-N 2.92Å; Y320-R324 PolarHBondContact O-N 3.45Å
321	R	65.5	Low	54.7	Low	171 Å²	171	111.9 Å²	111.9	65%	0.645	55%	0.547	S	S	*	.	H	α-helix	trans	-72.2	-40.3	172	-74.7	-179.7	-159.8	-170.1	10.8	112	E317 E318 Q319 R324 S325	E317-R321 WeakPolarHBondContact O-CB 3.27Å; E317-R321 VanDerWaalsContact O-CG 3.23Å; E317-R321 WeakPolarHBondContact O-CG 3.36Å; E317-R321 PolarHBondContact O-N 3.46Å; E317-R321 IonicContact OE2-CZ 3.54Å; E317-R321 IonicContact OE2-NH2 3.01Å; E317-R321 PolarHBondContact OE2-NH2 3.4Å; E318-R321 PolarHBondContact O-N 2.89Å; Q319-R321 VanDerWaalsContact C-N 3.29Å; Q319-R321 PolarHBondContact O-N 2.85Å; R321-R324 PolarHBondContact O-N 2.92Å; R321-S325 WeakPolarHBondContact O-CB 3.37Å; R321-S325 PolarHBondContact O-N 3.31Å; R321-S325 PolarHBondContact O-OG 3.48Å
322	A	60.9	Low	52.6	Low	35 Å²	35	114.5 Å²	114.5	29%	0.289	56%	0.563	S	S	.	*	H	α-helix	trans	-63	-45.2	177.5	0	0	0	0	0	111.3	E318 Q319 R324 S325 H326	E318-A322 WeakPolarHBondContact O-CB 3.42Å; E318-A322 PolarHBondContact O-N 2.69Å; Q319-A322 PolarHBondContact O-N 3.37Å; A322-R324 PolarHBondContact O-N 3.35Å; A322-S325 PolarHBondContact O-N 2.88Å; A322-S325 PolarHBondContact O-OG 3.49Å; A322-H326 PolarHBondContact O-CD2 2.95Å; A322-H326 PolarHBondContact O-N 3.47Å
323	D	56.1	Low	50.6	Low	94 Å²	94	117.5 Å²	117.5	50%	0.503	59%	0.587	S	S	.	*	H	α-helix	trans	-65.9	-28.7	-179.7	-68.1	-11.2	0	0	0	111.9	Q319	Q319-D323 PolarHBondContact NE2-OD1 3.21Å; Q319-D323 VanDerWaalsContact NE2-OD1 3.15Å; Q319-D323 PolarHBondContact O-N 2.9Å
324	R	49.6	Very low	48.7	Very low	175 Å²	175	122.3 Å²	122.3	66%	0.66	61%	0.612	S	S	*	*	H	α-helix	trans	-85.5	-29.4	174.2	-82.4	-168.3	174.2	-160.5	-1.4	114.7	Y320 R321 A322 H326 V327	Y320-R324 PolarHBondContact O-N 3.45Å; R321-R324 PolarHBondContact O-N 2.92Å; A322-R324 PolarHBondContact O-N 3.35Å; R324-H326 PolarHBondContact O-N 2.93Å; R324-V327 PolarHBondContact O-N 3.26Å
325	S	48.2	Very low	46.4	Very low	79 Å²	79	125.2 Å²	125.2	55%	0.552	63%	0.626	S	S	*	*	H	α-helix	trans	-69.2	-25.8	177.3	65.2	0	0	0	0	111.5	R321 A322 V327 K328	R321-S325 WeakPolarHBondContact O-CB 3.37Å; R321-S325 PolarHBondContact O-N 3.31Å; R321-S325 PolarHBondContact O-OG 3.48Å; A322-S325 PolarHBondContact O-N 2.88Å; A322-S325 PolarHBondContact O-OG 3.49Å; S325-V327 PolarHBondContact O-N 3.01Å; S325-K328 PolarHBondContact O-N 3.3Å
326	H	43.5	Very low	44.1	Very low	161 Å²	161	129.4 Å²	129.4	75%	0.745	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-5	174.1	-77.9	-61.4	0	0	0	115.3	A322 R324	A322-H326 PolarHBondContact O-CD2 2.95Å; A322-H326 PolarHBondContact O-N 3.47Å; R324-H326 PolarHBondContact O-N 2.93Å
327	V	37.4	Very low	41.9	Very low	121 Å²	121	129.6 Å²	129.6	73%	0.733	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	0.1	178.7	-173.7	0	0	0	0	113.2	R324 S325	R324-V327 PolarHBondContact O-N 3.26Å; S325-V327 PolarHBondContact O-N 3.01Å
328	K	29.9	Very low	39.7	Very low	187 Å²	187	134.1 Å²	134.1	81%	0.813	69%	0.685	S	S	*	*	S	Bend	trans	-132.5	66.9	176	-71.8	-171.1	178.8	-178.3	0	113.8	S325	S325-K328 PolarHBondContact O-N 3.3Å
329	S	27.4	Very low	37.6	Very low	104 Å²	104	136 Å²	136	73%	0.727	70%	0.697	S	S	*	*			trans	-172.8	89.3	139.2	61.4	0	0	0	0	110.1
330	S	26.2	Very low	35.4	Very low	109 Å²	109	136 Å²	136	76%	0.762	71%	0.708	S	S	*	*			trans	-63.8	138.8	153.1	50.6	0	0	0	0	108.9
331	H	25.8	Very low	33.9	Very low	170 Å²	170	138.5 Å²	138.5	79%	0.787	73%	0.73	S	S	*	*			trans	71.8	99.2	-178.7	-75.8	-92.7	0	0	0	116.1
332	L	26.3	Very low	32	Very low	157 Å²	157	136.9 Å²	136.9	82%	0.822	74%	0.738	S	S	*	*				-175.4	128.1	109.1	-93.2	149.3	0	0	0	111.1
333	S	24.6	Very low	30.2	Very low	104 Å²	104	144.1 Å²	144.1	73%	0.727	76%	0.763	S	S	*	*			trans	-44.4	130.4	166.8	53	0	0	0	0	113.1
334	L	23	Very low	28.6	Very low	159 Å²	159	148.2 Å²	148.2	83%	0.832	78%	0.784	S	S	*	*			trans	-133.6	111.1	162.3	-80.1	168.9	0	0	0	110.9
335	H	22.3	Very low	27.3	Very low	184 Å²	184	148.7 Å²	148.7	85%	0.852	79%	0.791	S	S	*	*			trans	-42.2	127.3	163.5	-102.4	-101.1	0	0	0	112.5
336	F	24.4	Very low	26.1	Very low	189 Å²	189	154 Å²	154	83%	0.829	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-73.8	126.1	166	-73.3	-86.1	0	0	0	110.2
337	P	24.9	Very low	25.2	Very low	111 Å²	111	151.3 Å²	151.3	72%	0.721	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-81.9	129.1	175	30.9	-29	0	0	0	110.7	I339	P337-I339 PolarHBondContact O-N 3.12Å
338	L	23	Very low	24.5	Very low	177 Å²	177	153.9 Å²	153.9	93%	0.927	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-60.2	122.4	171.6	-83.7	94.3	0	0	0	110.6
339	I	24.4	Very low	24.2	Very low	153 Å²	153	151.5 Å²	151.5	79%	0.785	81%	0.811	S	S	*	*			trans	-106.7	126.2	162.2	-65.8	174.1	0	0	0	108.2	P337	P337-I339 PolarHBondContact O-N 3.12Å
340	S	23	Very low	24.2	Very low	103 Å²	103	153.9 Å²	153.9	72%	0.72	81%	0.814	S	S	*	*			trans	-68.9	120	-171.1	38.4	0	0	0	0	113.3	V342	S340-V342 PolarHBondContact O-N 3.47Å
341	N	25.3	Very low	24.2	Very low	166 Å²	166	154.5 Å²	154.5	89%	0.888	81%	0.809	S	S	*	*			trans	-74.7	109.2	170.9	-82.3	-29	0	0	0	110.7
342	V	25.8	Very low	24.1	Very low	137 Å²	137	154.3 Å²	154.3	83%	0.83	81%	0.814	S	S	*	*			trans	-74.8	128	169.7	172	0	0	0	0	109.4	S340 L344	S340-V342 PolarHBondContact O-N 3.47Å; V342-L344 PolarHBondContact O-N 3.46Å
343	K	23.3	Very low	24.3	Very low	186 Å²	186	156 Å²	156	81%	0.809	81%	0.814	S	S	*	*			trans	-55.1	121.9	176.9	-76.5	167.9	171.3	173	0	112.3
344	L	23.1	Very low	24.3	Very low	180 Å²	180	160.7 Å²	160.7	94%	0.942	82%	0.822	S	S	*	*			trans	-114.8	96	151.1	-80.6	163.9	0	0	0	107.1	V342	V342-L344 PolarHBondContact O-N 3.46Å
345	K	21.3	Very low	24.4	Very low	186 Å²	186	161.1 Å²	161.1	81%	0.809	82%	0.824	S	S	*	*			trans	-116.5	155.7	168	-107.3	-173.3	176.2	-173.1	0	106.6
346	E	22.6	Very low	24.5	Very low	190 Å²	190	161.4 Å²	161.4	89%	0.888	82%	0.823	S	S	*	*			trans	92.2	123.1	-177.2	-57.5	170.9	-174.5	0	0	111.5
347	S	24.4	Very low	24.4	Very low	104 Å²	104	160.4 Å²	160.4	73%	0.727	83%	0.825	S	S	*	*			cis	-173.1	118.2	17	39.8	0	0	0	0	107.9
348	L	24	Very low	24.4	Very low	175 Å²	175	162.2 Å²	162.2	92%	0.916	83%	0.826	S	S	*	*			trans	-145.1	91.8	156.6	-84.1	176.7	0	0	0	107.2
349	N	23.1	Very low	24.5	Very low	137 Å²	137	158.7 Å²	158.7	73%	0.733	82%	0.816	S	S	*	*			trans	-85.8	109.6	-179.9	-161.8	36.3	0	0	0	107.6
350	I	27.4	Very low	24.5	Very low	155 Å²	155	158.9 Å²	158.9	80%	0.795	82%	0.818	S	S	*	*			trans	-126.7	103.8	167.7	-61.4	179.2	0	0	0	106.5
351	D	26	Very low	24.8	Very low	122 Å²	122	160 Å²	160	65%	0.652	82%	0.823	S	S	*	*			trans	-60.2	126.2	-172.6	-74.8	-44.8	0	0	0	113.3	K353	D351-K353 PolarHBondContact O-N 3.12Å
352	D	24.4	Very low	24.8	Very low	166 Å²	166	158.9 Å²	158.9	89%	0.888	82%	0.817	S	S	*	*			trans	-60.3	90.9	165.1	-80.9	-40.9	0	0	0	111.5	K354	D352-K354 VanDerWaalsContact C-N 3.35Å; D352-K354 PolarHBondContact O-N 3.19Å; D352-K354 VanDerWaalsContact O-N 3.12Å
353	K	29.4	Very low	24.9	Very low	191 Å²	191	159.7 Å²	159.7	83%	0.83	82%	0.817	S	S	*	*			trans	-82.1	86.8	163.6	-79.4	-176	-179.9	174.3	0	110.3	D351 L355	D351-K353 PolarHBondContact O-N 3.12Å; K353-L355 PolarHBondContact O-N 2.8Å
354	K	26	Very low	25.1	Very low	203 Å²	203	159.4 Å²	159.4	88%	0.883	82%	0.823	S	S	*	*			trans	-32.4	96	160.3	-153	173.3	-168.8	173.8	0	112.4	D352 K356	D352-K354 VanDerWaalsContact C-N 3.35Å; D352-K354 PolarHBondContact O-N 3.19Å; D352-K354 VanDerWaalsContact O-N 3.12Å; K354-K356 PolarHBondContact O-N 3.42Å
355	L	24.3	Very low	25.3	Very low	169 Å²	169	157.5 Å²	157.5	89%	0.885	81%	0.814	S	S	*	*			trans	-72.5	111.8	172.3	-81.2	157.3	0	0	0	109.1	K353 I357	K353-L355 PolarHBondContact O-N 2.8Å; L355-I357 PolarHBondContact O-N 3.34Å
356	K	24.4	Very low	25.4	Very low	190 Å²	190	155.2 Å²	155.2	83%	0.826	82%	0.815	S	S	*	*			trans	-65.7	120.7	174.1	-91.9	174.9	170.6	177	0	109.8	K354 I358	K354-K356 PolarHBondContact O-N 3.42Å; K356-I358 PolarHBondContact O-N 3.41Å
357	I	22.7	Very low	25.5	Very low	168 Å²	168	154.3 Å²	154.3	86%	0.862	81%	0.811	S	S	*	*			trans	-60.3	110.3	166	-62.1	166.4	0	0	0	107.7	L355	L355-I357 PolarHBondContact O-N 3.34Å
358	I	25	Very low	25.4	Very low	148 Å²	148	158.7 Å²	158.7	76%	0.759	82%	0.82	S	S	*	*			trans	-90.8	111.8	170.9	-62.5	172.2	0	0	0	106	K356 L360	K356-I358 PolarHBondContact O-N 3.41Å; I358-L360 PolarHBondContact O-N 3.41Å
359	S	24.3	Very low	25.3	Very low	103 Å²	103	156 Å²	156	72%	0.72	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-59.2	123.9	174.4	51.2	0	0	0	0	110.7
360	L	25.3	Very low	25.4	Very low	157 Å²	157	154.7 Å²	154.7	82%	0.822	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-62.1	134.8	169.9	-88	83.8	0	0	0	110.6	I358	I358-L360 PolarHBondContact O-N 3.41Å
361	P	28.5	Very low	25.1	Very low	127 Å²	127	158.9 Å²	158.9	83%	0.825	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-79.8	123.1	168.8	21.4	-10.8	0	0	0	109.9
362	N	25.8	Very low	25.1	Very low	142 Å²	142	156.4 Å²	156.4	76%	0.759	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-62.1	163.1	166.3	-71.8	-21.5	0	0	0	111.5
363	D	27.9	Very low	25	Very low	154 Å²	154	153.2 Å²	153.2	82%	0.824	82%	0.819	S	S	*	*			trans	96.7	67.9	163.5	-52	-20	0	0	0	116.4
364	L	27.8	Very low	24.8	Very low	180 Å²	180	151.5 Å²	151.5	94%	0.942	82%	0.819	S	S	*	*			trans	-96.9	93.8	152.4	-97	147.7	0	0	0	108.8	V366	L364-V366 PolarHBondContact O-N 3.36Å
365	N	27.2	Very low	24.6	Very low	141 Å²	141	148.6 Å²	148.6	75%	0.754	81%	0.813	S	S	*	*			trans	-68.6	118.4	-178.6	-154.3	3.4	0	0	0	110.3	Q367	N365-Q367 PolarHBondContact O-N 3.45Å
366	V	23.9	Very low	24.8	Very low	137 Å²	137	147.9 Å²	147.9	83%	0.83	81%	0.81	S	S	*	*			trans	-74.4	100.8	176.5	176.9	0	0	0	0	108.3	L364	L364-V366 PolarHBondContact O-N 3.36Å
367	Q	24.1	Very low	24.9	Very low	171 Å²	171	143.5 Å²	143.5	80%	0.799	80%	0.804	S	S	*	*			trans	-110.1	119.4	165.8	-89.1	-170.6	-16.8	0	0	111.1	N365 S369	N365-Q367 PolarHBondContact O-N 3.45Å; Q367-S369 PolarHBondContact O-N 3.22Å
368	Q	21.9	Very low	25.1	Very low	197 Å²	197	143.1 Å²	143.1	92%	0.921	80%	0.803	S	S	*	*			trans	-41.1	122.9	168.1	-73.2	163	-36.5	0	0	111.9
369	S	23	Very low	25.1	Very low	119 Å²	119	147 Å²	147	83%	0.832	81%	0.809	S	S	*	*			trans	-104.9	113.2	157.2	48.8	0	0	0	0	108.3	Q367	Q367-S369 PolarHBondContact O-N 3.22Å
370	S	23.4	Very low	25.2	Very low	109 Å²	109	148.3 Å²	148.3	76%	0.762	81%	0.814	S	S	*	*			trans	-62.9	141.1	178	47	0	0	0	0	112.7	G372	S370-G372 PolarHBondContact O-N 3.1Å; S370-G372 VanDerWaalsContact O-N 3.17Å
371	Y	22.3	Very low	25.3	Very low	242 Å²	242	147.7 Å²	147.7	95%	0.949	81%	0.811	S	S	*	*			trans	-28.4	105.8	165.8	-70	-91	0	0	0	114.8
372	G	24.8	Very low	25.2	Very low	71 Å²	71	148 Å²	148	73%	0.732	81%	0.805	S	S	*	*			trans	-100.1	98.2	164.4	0	0	0	0	0	109.6	S370 N374	S370-G372 PolarHBondContact O-N 3.1Å; S370-G372 VanDerWaalsContact O-N 3.17Å; G372-N374 PolarHBondContact O-N 3.5Å
373	S	22.7	Very low	25.4	Very low	98 Å²	98	148.6 Å²	148.6	69%	0.685	80%	0.801	S	S	*	*			trans	-63.8	109.3	169.3	-179.4	0	0	0	0	109.6
374	N	25	Very low	25.6	Very low	156 Å²	156	147.9 Å²	147.9	83%	0.834	80%	0.797	S	S	*	*			trans	-111.8	88.5	164.6	-96.4	-8.6	0	0	0	108.4	G372 N376	G372-N374 PolarHBondContact O-N 3.5Å; N374-N376 PolarHBondContact O-N 3.2Å
375	N	23.2	Very low	26	Very low	142 Å²	142	142.7 Å²	142.7	76%	0.759	78%	0.781	S	S	*	*			trans	-62.9	108.3	158.8	-74	-22.1	0	0	0	108.4
376	N	27.2	Very low	26.4	Very low	153 Å²	153	140.1 Å²	140.1	82%	0.818	77%	0.77	S	S	*	*			trans	-135.3	103.5	154	-94.5	-23.1	0	0	0	108.4	N374	N374-N376 PolarHBondContact O-N 3.2Å
377	S	26.8	Very low	27	Very low	99 Å²	99	141.5 Å²	141.5	69%	0.692	77%	0.767	S	S	*	*			trans	-30.8	123.2	170.5	51.3	0	0	0	0	115.8	R379	S377-R379 PolarHBondContact O-N 3.38Å
378	D	26.1	Very low	27.8	Very low	159 Å²	159	138.9 Å²	138.9	85%	0.85	76%	0.759	S	S	*	*				26.7	93	122.6	-58.1	-27.7	0	0	0	116.5
379	R	26.6	Very low	28.8	Very low	231 Å²	231	136.2 Å²	136.2	87%	0.872	75%	0.746	S	S	*	*			trans	-124.3	120.3	143.5	-86	-172.5	175	-175.8	-1.1	108.4	S377 I381	S377-R379 PolarHBondContact O-N 3.38Å; R379-I381 PolarHBondContact O-N 3.06Å
380	P	26	Very low	29.6	Very low	129 Å²	129	136.3 Å²	136.3	84%	0.838	74%	0.737	S	S	*	*			trans	-70.4	123.3	-179.5	29.5	-31	0	0	0	108.6	N382	P380-N382 PolarHBondContact O-N 3.18Å
381	I	27.2	Very low	30.5	Very low	145 Å²	145	136.7 Å²	136.7	74%	0.744	73%	0.73	S	S	*	*			trans	-78.2	113.4	173	-60.5	170.7	0	0	0	106.1	R379 F383	R379-I381 PolarHBondContact O-N 3.06Å; I381-F383 HydrophobicContact CG2-CD2 4.48Å; I381-F383 HydrophobicContact CG2-CE2 4.45Å; I381-F383 PolarHBondContact O-N 3.4Å
382	N	26	Very low	31.7	Very low	132 Å²	132	130.8 Å²	130.8	71%	0.706	72%	0.715	S	S	*	*			trans	-73.1	116.6	-178.9	-164.6	11.1	0	0	0	109.6	P380	P380-N382 PolarHBondContact O-N 3.18Å
383	F	30.9	Very low	32.4	Very low	155 Å²	155	132 Å²	132	68%	0.68	70%	0.704	S	S	*	*			trans	-94	15	-170.2	-108.3	-85.6	0	0	0	114.5	I381 A385 V386	I381-F383 HydrophobicContact CG2-CD2 4.48Å; I381-F383 HydrophobicContact CG2-CE2 4.45Å; I381-F383 PolarHBondContact O-N 3.4Å; F383-A385 PolarHBondContact O-N 3.22Å; F383-V386 HydrophobicContact CD1-CG2 3.89Å; F383-V386 HydrophobicContact CE1-CG2 4.22Å
384	D	32	Very low	33.3	Very low	139 Å²	139	132.7 Å²	132.7	74%	0.743	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	9.3	-179.1	-77.4	-9	0	0	0	114.6
385	A	35.5	Very low	34.2	Very low	72 Å²	72	129 Å²	129	60%	0.595	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	3.5	178.7	0	0	0	0	0	114.5	F383	F383-A385 PolarHBondContact O-N 3.22Å
386	V	35.2	Very low	35.2	Very low	86 Å²	86	127.4 Å²	127.4	52%	0.521	68%	0.675	S	S	.	*	S	Bend	trans	-91	-16.4	-176.3	-172.3	0	0	0	0	113	F383	F383-V386 HydrophobicContact CD1-CG2 3.89Å; F383-V386 HydrophobicContact CE1-CG2 4.22Å
387	E	37	Very low	35.7	Very low	166 Å²	166	126.8 Å²	126.8	78%	0.776	67%	0.665	S	S	*	*	H	α-helix	trans	-72.7	-31.6	173.8	-72.7	-169.9	156.1	0	0	112.4	E389 L390	E387-E389 VanDerWaalsContact C-N 3.33Å; E387-E389 PolarHBondContact O-N 3.04Å; E387-L390 PolarHBondContact O-N 3.24Å
388	D	41.5	Very low	36.3	Very low	116 Å²	116	126.8 Å²	126.8	62%	0.62	66%	0.658	S	S	*	*	H	α-helix	trans	-73.6	-18.4	-177.7	-76.9	-18.3	0	0	0	114.1	N392	D388-N392 PolarHBondContact O-ND2 3.37Å
389	E	42	Very low	37	Very low	142 Å²	142	124.4 Å²	124.4	66%	0.664	64%	0.643	S	S	*	*	H	α-helix	trans	-84.3	-26.4	176	-79.8	-166.1	161.1	0	0	113.2	E387 N392 I393	E387-E389 VanDerWaalsContact C-N 3.33Å; E387-E389 PolarHBondContact O-N 3.04Å; E389-N392 PolarHBondContact O-N 3.32Å; E389-I393 WeakPolarHBondContact O-CD1 3.39Å; E389-I393 WeakPolarHBondContact O-CG1 3.45Å; E389-I393 PolarHBondContact O-N 3.49Å
390	L	39.1	Very low	37.5	Very low	120 Å²	120	118.7 Å²	118.7	63%	0.628	63%	0.629	S	S	*	*	H	α-helix	trans	-71.9	-38.9	178.9	-132.9	89.8	0	0	0	111.7	E387 N392 I393 L394	E387-L390 PolarHBondContact O-N 3.24Å; L390-N392 PolarHBondContact O-N 3.35Å; L390-I393 PolarHBondContact O-N 3.43Å; L390-L394 PolarHBondContact O-N 3.21Å
391	D	42.8	Very low	38.2	Very low	117 Å²	117	117 Å²	117	63%	0.626	61%	0.612	S	S	*	*	H	α-helix	trans	-69.1	-23.2	177	-81.1	-10.8	0	0	0	112.8	P395	D391-P395 VanDerWaalsContact O-CD 3.32Å; D391-P395 WeakPolarHBondContact O-CD 3.44Å
392	N	47.6	Very low	38.6	Very low	119 Å²	119	114.6 Å²	114.6	64%	0.636	60%	0.601	S	S	*	*	H	α-helix	trans	-82.9	-13.5	175.6	-77.2	-45.5	0	0	0	113.9	D388 E389 L390	D388-N392 PolarHBondContact O-ND2 3.37Å; E389-N392 PolarHBondContact O-N 3.32Å; L390-N392 PolarHBondContact O-N 3.35Å
393	I	40.9	Very low	39.3	Very low	96 Å²	96	113 Å²	113	49%	0.492	59%	0.589	S	S	.	*	H	α-helix	trans	-93.5	-28.1	180	-65.4	166.7	0	0	0	111.9	E389 L390 N396	E389-I393 WeakPolarHBondContact O-CD1 3.39Å; E389-I393 WeakPolarHBondContact O-CG1 3.45Å; E389-I393 PolarHBondContact O-N 3.49Å; L390-I393 PolarHBondContact O-N 3.43Å; I393-N396 PolarHBondContact O-N 3.32Å
394	L	40.6	Very low	39.6	Very low	113 Å²	113	114.2 Å²	114.2	59%	0.592	59%	0.594	S	S	*	*	H	α-helix	trans	-57.9	-41.3	179.7	-107.3	78.9	0	0	0	114.5	L390 N396 F397 D398	L390-L394 PolarHBondContact O-N 3.21Å; L394-N396 PolarHBondContact O-N 3.33Å; L394-F397 PolarHBondContact O-N 2.93Å; L394-D398 PolarHBondContact O-N 2.81Å
395	P	43.5	Very low	39.9	Very low	78 Å²	78	114 Å²	114	51%	0.506	59%	0.588	S	S	.	*	H	α-helix	trans	-65.4	-26.9	180	-20.9	31.7	0	0	0	113.4	D391 M399	D391-P395 VanDerWaalsContact O-CD 3.32Å; D391-P395 WeakPolarHBondContact O-CD 3.44Å; P395-M399 PolarHBondContact O-N 3.17Å; P395-M399 VanDerWaalsContact O-N 3.1Å
396	N	44	Very low	39.8	Very low	109 Å²	109	117.8 Å²	117.8	58%	0.583	59%	0.593	S	S	*	*	H	α-helix	trans	-74.6	-27.9	179.8	-76.1	-27.8	0	0	0	112.3	I393 L394 L400	I393-N396 PolarHBondContact O-N 3.32Å; L394-N396 PolarHBondContact O-N 3.33Å; N396-L400 PolarHBondContact O-N 3.38Å
397	F	38.1	Very low	39.7	Very low	139 Å²	139	121.6 Å²	121.6	61%	0.61	61%	0.605	S	S	*	*	H	α-helix	trans	-75.2	-40.7	175.3	-112.9	-85.6	0	0	0	112.1	L394 M399 L400 I401	L394-F397 PolarHBondContact O-N 2.93Å; F397-M399 VanDerWaalsContact C-N 3.27Å; F397-M399 PolarHBondContact O-N 2.85Å; F397-L400 PolarHBondContact O-N 3.22Å; F397-I401 WeakPolarHBondContact O-CG1 3.5Å; F397-I401 PolarHBondContact O-N 2.86Å
398	D	40.3	Very low	39.4	Very low	100 Å²	100	121.7 Å²	121.7	54%	0.535	61%	0.606	S	S	.	*	H	α-helix	trans	-65.5	-32.1	173.8	-84.4	-16.2	0	0	0	112.2	L394 N402	L394-D398 PolarHBondContact O-N 2.81Å; D398-N402 WeakPolarHBondContact O-CB 3.45Å; D398-N402 PolarHBondContact O-N 2.95Å; D398-N402 PolarHBondContact O-ND2 2.68Å
399	M	41.4	Very low	38.7	Very low	108 Å²	108	123.1 Å²	123.1	53%	0.532	61%	0.608	S	S	.	*	H	α-helix	trans	-70.4	-33.8	174.4	-144.8	-173.5	69.7	0	0	112.4	P395 F397 N402 Q403	P395-M399 PolarHBondContact O-N 3.17Å; P395-M399 VanDerWaalsContact O-N 3.1Å; F397-M399 VanDerWaalsContact C-N 3.27Å; F397-M399 PolarHBondContact O-N 2.85Å; M399-N402 PolarHBondContact O-N 2.88Å; M399-Q403 WeakPolarHBondContact O-CB 3.47Å; M399-Q403 WeakPolarHBondContact O-CG 3.16Å; M399-Q403 PolarHBondContact O-N 3.01Å
400	L	36.8	Very low	38	Very low	112 Å²	112	125.3 Å²	125.3	59%	0.586	62%	0.618	S	S	*	*	H	α-helix	trans	-72.6	-36.6	177.5	-153.7	83.4	0	0	0	112.3	N396 F397 K404	N396-L400 PolarHBondContact O-N 3.38Å; F397-L400 PolarHBondContact O-N 3.22Å; L400-K404 PolarHBondContact O-N 3Å
401	I	40	Very low	37.5	Very low	93 Å²	93	126.8 Å²	126.8	48%	0.477	62%	0.622	S	S	.	*	H	α-helix	trans	-66.7	-41.7	173.8	-65.9	170.3	0	0	0	109.9	F397 K404 H405	F397-I401 WeakPolarHBondContact O-CG1 3.5Å; F397-I401 PolarHBondContact O-N 2.86Å; I401-K404 PolarHBondContact O-N 2.78Å; I401-H405 PolarHBondContact O-CD2 2.96Å
402	N	35.4	Very low	36.6	Very low	94 Å²	94	132.7 Å²	132.7	50%	0.503	64%	0.636	S	S	.	*	H	α-helix	trans	-73.2	-28.8	178.2	-75.4	-42.4	0	0	0	114	D398 M399 K404 H405 Q406	D398-N402 WeakPolarHBondContact O-CB 3.45Å; D398-N402 PolarHBondContact O-N 2.95Å; D398-N402 PolarHBondContact O-ND2 2.68Å; M399-N402 PolarHBondContact O-N 2.88Å; N402-K404 VanDerWaalsContact C-N 3.35Å; N402-H405 PolarHBondContact O-N 2.81Å; N402-Q406 PolarHBondContact O-N 3.22Å
403	Q	40.1	Very low	35.5	Very low	100 Å²	100	135 Å²	135	47%	0.467	65%	0.648	S	S	.	*	H	α-helix	trans	-68.3	-32	174.2	-84.7	-172.6	-6.4	0	0	112.9	M399 H405 Q406	M399-Q403 WeakPolarHBondContact O-CB 3.47Å; M399-Q403 WeakPolarHBondContact O-CG 3.16Å; M399-Q403 PolarHBondContact O-N 3.01Å; Q403-H405 PolarHBondContact O-N 2.94Å; Q403-Q406 PolarHBondContact O-N 2.9Å
404	K	38	Very low	34.8	Very low	179 Å²	179	136.6 Å²	136.6	78%	0.778	66%	0.662	S	S	*	*	H	α-helix	trans	-66.3	-26.3	172.5	-99.8	-177.6	177.3	177.8	0	112.9	L400 I401 N402	L400-K404 PolarHBondContact O-N 3Å; I401-K404 PolarHBondContact O-N 2.78Å; N402-K404 VanDerWaalsContact C-N 3.35Å
405	H	38	Very low	34.1	Very low	134 Å²	134	136.6 Å²	136.6	62%	0.62	67%	0.669	S	S	*	*	H	α-helix	trans	-83.7	-18.3	176.7	-74.1	-62.3	0	0	0	114.3	I401 N402 Q403	I401-H405 PolarHBondContact O-CD2 2.96Å; N402-H405 PolarHBondContact O-N 2.81Å; Q403-H405 PolarHBondContact O-N 2.94Å
406	Q	34.1	Very low	33.2	Very low	152 Å²	152	142.7 Å²	142.7	71%	0.71	69%	0.687	S	S	*	*	H	α-helix	trans	-83.5	-22.8	178.8	-71.7	-170.8	5.3	0	0	114.5	N402 Q403 H408	N402-Q406 PolarHBondContact O-N 3.22Å; Q403-Q406 PolarHBondContact O-N 2.9Å; Q406-H408 VanDerWaalsContact C-N 3.29Å; Q406-H408 PolarHBondContact O-N 3.09Å
407	H	33.2	Very low	32.2	Very low	166 Å²	166	145.1 Å²	145.1	77%	0.769	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-1.6	-178.5	-86.5	-69.5	0	0	0	115.6
408	H	30.3	Very low	31.5	Very low	169 Å²	169	147.3 Å²	147.3	78%	0.782	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.2	8.9	176.7	-97.5	-40.6	0	0	0	116.2	Q406	Q406-H408 VanDerWaalsContact C-N 3.29Å; Q406-H408 PolarHBondContact O-N 3.09Å
409	H	27.5	Very low	30.6	Very low	145 Å²	145	150.6 Å²	150.6	67%	0.671	73%	0.728	S	S	*	*			trans	-101	26.9	178.6	-85.1	-56.3	0	0	0	116.3	Q411	H409-Q411 VanDerWaalsContact C-N 3.25Å; H409-Q411 PolarHBondContact O-N 3.42Å; H409-Q411 VanDerWaalsContact O-N 3.17Å
410	Q	25.6	Very low	29.7	Very low	188 Å²	188	152.7 Å²	152.7	88%	0.879	74%	0.741	S	S	*	*			trans	-86.6	69.7	161	-71.3	-174.4	15.1	0	0	110.2	R412	Q410-R412 PolarHBondContact O-N 2.95Å
411	Q	28.9	Very low	29.1	Very low	152 Å²	152	155.1 Å²	155.1	71%	0.71	75%	0.749	S	S	*	*			trans	-72.6	114	171.6	-73.1	-176.7	3	0	0	109.5	H409 N413	H409-Q411 VanDerWaalsContact C-N 3.25Å; H409-Q411 PolarHBondContact O-N 3.42Å; H409-Q411 VanDerWaalsContact O-N 3.17Å; Q411-N413 PolarHBondContact O-N 3.03Å
412	R	25	Very low	28.3	Very low	241 Å²	241	158 Å²	158	91%	0.909	77%	0.765	S	S	*	*			trans	-59.4	121.7	170	-87.7	177.3	165.1	164.2	-4.3	110	Q410 V414	Q410-R412 PolarHBondContact O-N 2.95Å; R412-V414 PolarHBondContact O-N 3.11Å
413	N	23.1	Very low	27.7	Very low	166 Å²	166	159.1 Å²	159.1	89%	0.888	78%	0.78	S	S	*	*			trans	-50.8	120.5	168.4	-71.2	-45.4	0	0	0	112	Q411	Q411-N413 PolarHBondContact O-N 3.03Å
414	V	27.5	Very low	26.9	Very low	130 Å²	130	159.2 Å²	159.2	79%	0.788	79%	0.792	S	S	*	*			trans	-131	131.1	160.3	-175.8	0	0	0	0	106.9	R412	R412-V414 PolarHBondContact O-N 3.11Å
415	P	26.1	Very low	26.4	Very low	114 Å²	114	158.9 Å²	158.9	74%	0.74	80%	0.797	S	S	*	*			trans	-80.9	146.7	-153.7	30.9	-34	0	0	0	113.7	N417	P415-N417 PolarHBondContact O-N 3.2Å
416	K	23	Very low	25.7	Very low	205 Å²	205	158.2 Å²	158.2	89%	0.891	80%	0.803	S	S	*	*			trans	-50.4	114.1	170.6	-65.1	170	175.1	177.1	0	110.7
417	N	24.2	Very low	25.3	Very low	161 Å²	161	157.9 Å²	157.9	86%	0.861	81%	0.811	S	S	*	*			trans	-106.4	130.2	156.7	-91.1	-6.6	0	0	0	108.9	P415	P415-N417 PolarHBondContact O-N 3.2Å
418	E	23	Very low	24.8	Very low	185 Å²	185	155.4 Å²	155.4	86%	0.864	81%	0.808	S	S	*	*			trans	-68.3	137	-163.6	-67.6	169.5	142.9	0	0	112.9
419	I	21.4	Very low	24.7	Very low	168 Å²	168	154 Å²	154	86%	0.862	81%	0.806	S	S	*	*			trans	-73.3	122.3	167.9	-65.2	162.8	0	0	0	107.6
420	L	23.5	Very low	24.7	Very low	153 Å²	153	152.7 Å²	152.7	80%	0.801	81%	0.808	S	S	*	*			trans	-128.3	109.4	164.9	-137.7	91.4	0	0	0	110.9
421	H	23.6	Very low	24.6	Very low	163 Å²	163	149.4 Å²	149.4	76%	0.755	80%	0.801	S	S	*	*			trans	55.6	106.7	145.1	-81.2	57.1	0	0	0	118.3
422	N	22.7	Very low	24.6	Very low	154 Å²	154	149.3 Å²	149.3	82%	0.824	81%	0.811	S	S	*	*				46.9	106.9	61.1	-84.8	1.3	0	0	0	116.1
423	S	23.3	Very low	24.5	Very low	116 Å²	116	143.8 Å²	143.8	81%	0.811	81%	0.805	S	S	*	*			trans	174.7	140.2	140	50.4	0	0	0	0	106.1
424	S	22.9	Very low	24.7	Very low	103 Å²	103	142.6 Å²	142.6	72%	0.72	80%	0.803	S	S	*	*			cis	176.9	122.9	13.8	28	0	0	0	0	105.9
425	I	27.8	Very low	24.5	Very low	171 Å²	171	142.5 Å²	142.5	88%	0.877	80%	0.803	S	S	*	*			trans	-139.3	110.7	155.8	-59.9	-176.1	0	0	0	109.1
426	T	23.8	Very low	24.5	Very low	121 Å²	121	143.6 Å²	143.6	74%	0.742	81%	0.808	S	S	*	*			trans	-59.8	131	170.4	30.2	0	0	0	0	113.4
427	T	24	Very low	24.5	Very low	144 Å²	144	140.6 Å²	140.6	88%	0.883	81%	0.807	S	S	*	*			trans	-131.6	119.4	146.1	39.3	0	0	0	0	108.9
428	T	23.5	Very low	24.4	Very low	115 Å²	115	137.3 Å²	137.3	71%	0.706	80%	0.797	S	S	*	*			trans	-103.7	138.7	174.6	48.4	0	0	0	0	108.9
429	N	28.9	Very low	24.7	Very low	139 Å²	139	134.7 Å²	134.7	74%	0.743	79%	0.788	S	S	*	*			trans	136.4	90.2	150.8	-66.6	-5.8	0	0	0	111
430	T	27	Very low	25	Very low	117 Å²	117	135.2 Å²	135.2	72%	0.718	79%	0.791	S	S	*	*				76.8	89.1	102.4	54.6	0	0	0	0	113.2
431	T	23.9	Very low	25.1	Very low	119 Å²	119	136 Å²	136	73%	0.73	80%	0.796	S	S	*	*				72.1	102.4	99	53.8	0	0	0	0	115
432	T	27.8	Very low	25.3	Very low	151 Å²	151	132 Å²	132	93%	0.926	79%	0.786	S	S	*	*				-156.6	128.5	121.4	21	0	0	0	0	108.6
433	T	23.9	Very low	25.5	Very low	125 Å²	125	131.6 Å²	131.6	77%	0.767	78%	0.783	S	S	*	*			trans	-103.4	123.3	-164.1	44.4	0	0	0	0	110.2
434	T	26.5	Very low	25.7	Very low	140 Å²	140	135.2 Å²	135.2	86%	0.859	79%	0.788	S	S	*	*			trans	-140.8	111.8	145.3	45.6	0	0	0	0	108.8
435	T	24	Very low	25.7	Very low	129 Å²	129	137.1 Å²	137.1	79%	0.791	79%	0.789	S	S	*	*			trans	-52.7	122.1	-179.8	41.3	0	0	0	0	115.2
436	T	24.9	Very low	25.6	Very low	136 Å²	136	136.2 Å²	136.2	83%	0.834	79%	0.786	S	S	*	*			trans	-130	111.4	148.6	23.1	0	0	0	0	108.1	S438	T436-S438 PolarHBondContact O-N 3.04Å
437	T	23.6	Very low	25.7	Very low	143 Å²	143	135.7 Å²	135.7	88%	0.877	79%	0.787	S	S	*	*			trans	-77.5	102.7	-177.2	43.5	0	0	0	0	110.6
438	S	23.4	Very low	25.9	Very low	91 Å²	91	134.3 Å²	134.3	64%	0.636	78%	0.779	S	S	*	*			trans	-151.9	139.1	161	56.3	0	0	0	0	109.4	T436	T436-S438 PolarHBondContact O-N 3.04Å
439	N	28.3	Very low	26	Very low	130 Å²	130	137.2 Å²	137.2	70%	0.695	79%	0.79	S	S	*	*			trans	104.4	61.3	162.7	-50.8	-20.3	0	0	0	118.3
440	I	27.6	Very low	25.8	Very low	179 Å²	179	137.5 Å²	137.5	92%	0.918	79%	0.787	S	S	*	*	S	Bend	trans	-90.9	1.3	159.2	-68.4	178.2	0	0	0	112.7
441	L	26.2	Very low	25.8	Very low	171 Å²	171	138.1 Å²	138.1	90%	0.895	80%	0.796	S	S	*	*	S	Bend	trans	-108.2	13.1	-175.8	-90.3	156.8	0	0	0	116.5
442	S	27.8	Very low	25.9	Very low	78 Å²	78	137 Å²	137	55%	0.545	79%	0.789	S	S	.	*	S	Bend	trans	-99.4	-1.2	-177.3	62.4	0	0	0	0	116.5
443	N	27.1	Very low	25.9	Very low	145 Å²	145	136.2 Å²	136.2	78%	0.775	78%	0.778	S	S	*	*	S	Bend	trans	-106.2	12.3	-171.6	-83.5	3.2	0	0	0	116.7
444	Q	26.4	Very low	26.1	Very low	193 Å²	193	138.1 Å²	138.1	90%	0.902	77%	0.772	S	S	*	*	S	Bend	trans	-110.8	13.5	177.9	-79.7	-138.4	-25.9	0	0	116.4
445	L	23.8	Very low	26.3	Very low	143 Å²	143	136.7 Å²	136.7	75%	0.749	76%	0.758	S	S	*	*			trans	-121.7	16.6	-177.9	-85.9	152.7	0	0	0	115.8	S447	L445-S447 PolarHBondContact O-N 3.09Å
446	N	25.9	Very low	26.9	Very low	152 Å²	152	137.9 Å²	137.9	81%	0.813	76%	0.755	S	S	*	*			trans	-99.9	69.2	175.3	-76.8	-8.6	0	0	0	112.2
447	S	25	Very low	27.3	Very low	110 Å²	110	135 Å²	135	77%	0.769	73%	0.734	S	S	*	*			trans	-164.7	58.7	158.9	70	0	0	0	0	113.2	L445	L445-S447 PolarHBondContact O-N 3.09Å
448	T	28.6	Very low	27.8	Very low	114 Å²	114	132.6 Å²	132.6	70%	0.699	72%	0.715	S	S	*	*			trans	-135.6	106.7	158.9	52	0	0	0	0	107.8	E450	T448-E450 PolarHBondContact O-N 3.3Å
449	N	24.4	Very low	28.5	Very low	177 Å²	177	130.6 Å²	130.6	95%	0.947	70%	0.704	S	S	*	*			trans	-69.8	53	176.2	-77.5	-19.3	0	0	0	111.5
450	E	24.7	Very low	28.8	Very low	145 Å²	145	129.7 Å²	129.7	68%	0.678	70%	0.699	S	S	*	*			trans	-100.2	111.5	163.8	-73.1	-168.3	165	0	0	107.2	T448 T452	T448-E450 PolarHBondContact O-N 3.3Å; E450-T452 HydrophobicContact CB-CG2 4.34Å; E450-T452 PolarHBondContact O-N 3.26Å; E450-T452 PolarHBondContact O-OG1 3.21Å
451	S	27	Very low	29.1	Very low	130 Å²	130	125.7 Å²	125.7	91%	0.909	68%	0.679	S	S	*	*			trans	-65.8	68	171.3	55.2	0	0	0	0	109.9
452	T	25.8	Very low	29.6	Very low	95 Å²	95	121.9 Å²	121.9	58%	0.583	67%	0.667	S	S	*	*			trans	-99.1	101.7	169	49.1	0	0	0	0	105.8	E450 R454	E450-T452 HydrophobicContact CB-CG2 4.34Å; E450-T452 PolarHBondContact O-N 3.26Å; E450-T452 PolarHBondContact O-OG1 3.21Å; T452-R454 PolarHBondContact O-N 3.42Å
453	L	28.2	Very low	29.8	Very low	134 Å²	134	124.3 Å²	124.3	70%	0.702	67%	0.674	S	S	*	*			trans	-62.3	122.3	171	-74.1	168.4	0	0	0	107.2	D457	L453-D457 HydrophobicContact CD2-CB 4.12Å
454	R	27.7	Very low	29.8	Very low	166 Å²	166	122.1 Å²	122.1	63%	0.626	66%	0.66	S	S	*	*			trans	-75.2	152.4	179.8	-69	-179.3	178.1	165.6	1.3	108.1	T452 E456 D457	T452-R454 PolarHBondContact O-N 3.42Å; R454-E456 PolarHBondContact O-N 3.02Å; R454-D457 PolarHBondContact N-OD2 3.21Å; R454-D457 VanDerWaalsContact N-OD2 3.11Å; R454-D457 WeakPolarHBondContact O-CB 3.42Å; R454-D457 PolarHBondContact O-N 3.05Å
455	L	31.8	Very low	30.1	Very low	110 Å²	110	116.7 Å²	116.7	58%	0.576	64%	0.644	S	S	*	*	H	α-helix	trans	-53.3	-27.5	-177.6	-167.3	69.4	0	0	0	112.8	L458 V789	L455-L458 PolarHBondContact O-N 2.85Å; L455-V789 HydrophobicContact CD1-CG1 4.19Å
456	E	37.1	Very low	30.7	Very low	154 Å²	154	119.2 Å²	119.2	72%	0.72	65%	0.649	S	S	*	*	H	α-helix	trans	-67.6	-31.1	174.3	-66.8	-178.1	161.4	0	0	113.7	R454 L458 A459	R454-E456 PolarHBondContact O-N 3.02Å; E456-L458 VanDerWaalsContact C-N 3.27Å; E456-L458 PolarHBondContact O-N 2.94Å; E456-A459 PolarHBondContact O-N 2.94Å
457	D	32.8	Very low	31.2	Very low	75 Å²	75	117 Å²	117	40%	0.401	65%	0.645	S	S	.	*	H	α-helix	trans	-69.7	-27.4	179.6	-62.9	-37.8	0	0	0	111.7	L453 R454	L453-D457 HydrophobicContact CD2-CB 4.12Å; R454-D457 PolarHBondContact N-OD2 3.21Å; R454-D457 VanDerWaalsContact N-OD2 3.11Å; R454-D457 WeakPolarHBondContact O-CB 3.42Å; R454-D457 PolarHBondContact O-N 3.05Å
458	L	34.7	Very low	31.7	Very low	93 Å²	93	117.8 Å²	117.8	49%	0.487	64%	0.636	S	S	.	*	H	α-helix	trans	-76.4	-33.2	177.6	-68.8	168.5	0	0	0	112.4	L455 E456 N460 L461	L455-L458 PolarHBondContact O-N 2.85Å; E456-L458 VanDerWaalsContact C-N 3.27Å; E456-L458 PolarHBondContact O-N 2.94Å; L458-N460 VanDerWaalsContact C-N 3.25Å; L458-N460 PolarHBondContact O-N 2.91Å; L458-L461 HydrophobicContact CD2-CD1 4.1Å; L458-L461 PolarHBondContact O-N 2.78Å
459	A	37.3	Very low	32	Very low	49 Å²	49	118.2 Å²	118.2	41%	0.405	63%	0.629	S	S	.	*	H	α-helix	trans	-64.5	-33.3	176.7	0	0	0	0	0	111.7	E456 L461 S462	E456-A459 PolarHBondContact O-N 2.94Å; A459-L461 VanDerWaalsContact C-N 3.3Å; A459-L461 PolarHBondContact O-N 3.13Å; A459-S462 PolarHBondContact O-N 3.5Å; A459-S462 PolarHBondContact O-OG 3.04Å
460	N	35	Very low	32.7	Very low	110 Å²	110	115.6 Å²	115.6	59%	0.588	62%	0.615	S	S	*	*	H	α-helix	trans	-69.8	-24	178	-77.2	-21.2	0	0	0	113.6	L458 S462 N463	L458-N460 VanDerWaalsContact C-N 3.25Å; L458-N460 PolarHBondContact O-N 2.91Å; N460-S462 VanDerWaalsContact C-N 3.26Å; N460-S462 PolarHBondContact O-N 3.01Å; N460-N463 PolarHBondContact O-N 3.45Å
461	L	33.5	Very low	33.6	Very low	95 Å²	95	113.3 Å²	113.3	50%	0.497	62%	0.615	S	S	.	*	H	α-helix	trans	-68.9	-24.2	176.6	-74	163.8	0	0	0	112.9	L458 A459 N463	L458-L461 HydrophobicContact CD2-CD1 4.1Å; L458-L461 PolarHBondContact O-N 2.78Å; A459-L461 VanDerWaalsContact C-N 3.3Å; A459-L461 PolarHBondContact O-N 3.13Å; L461-N463 VanDerWaalsContact C-N 3.25Å; L461-N463 PolarHBondContact O-N 2.83Å
462	S	36	Very low	34.1	Very low	92 Å²	92	116.3 Å²	116.3	64%	0.643	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-16.3	178.2	68.4	0	0	0	0	114.2	A459 N460	A459-S462 PolarHBondContact O-N 3.5Å; A459-S462 PolarHBondContact O-OG 3.04Å; N460-S462 VanDerWaalsContact C-N 3.26Å; N460-S462 PolarHBondContact O-N 3.01Å
463	N	33.4	Very low	34.7	Very low	129 Å²	129	116.3 Å²	116.3	69%	0.69	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.5	9	-172.6	-77.9	-12.4	0	0	0	114.6	N460 L461	N460-N463 PolarHBondContact O-N 3.45Å; L461-N463 VanDerWaalsContact C-N 3.25Å; L461-N463 PolarHBondContact O-N 2.83Å
464	M	27.3	Very low	35.2	Very low	98 Å²	98	112 Å²	112	48%	0.483	59%	0.588	S	S	.	*			trans	-88.5	121.7	179.6	-65.4	-158.4	76.1	0	0	112.1	E468	M464-E468 HydrophobicContact CE-CB 3.76Å; M464-E468 HydrophobicContact CE-CG 4.4Å; M464-E468 WeakPolarHBondContact CE-OE2 3.36Å
465	S	31	Very low	35.5	Very low	79 Å²	79	110.1 Å²	110.1	55%	0.552	59%	0.586	S	S	*	*			trans	-70.1	152.1	176.7	74.4	0	0	0	0	111.9	S467 E468	S465-S467 PolarHBondContact O-N 2.76Å; S465-E468 PolarHBondContact O-N 2.91Å
466	K	38.2	Very low	35.8	Very low	196 Å²	196	108 Å²	108	85%	0.852	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.6	-13	-171.8	-98.3	176.3	175.8	172.8	0	117.2	F469	K466-F469 HydrophobicContact CG-CE2 4.41Å; K466-F469 WeakPolarHBondContact O-CD2 3.37Å
467	S	36.6	Very low	35.9	Very low	105 Å²	105	104.5 Å²	104.5	73%	0.734	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-3.7	-175.9	55	0	0	0	0	115.5	S465	S465-S467 PolarHBondContact O-N 2.76Å
468	E	35.3	Very low	36.2	Very low	127 Å²	127	103.7 Å²	103.7	59%	0.593	58%	0.577	S	S	*	*			trans	-112	26.9	-179.3	-73	-178.1	147.2	0	0	113.8	M464 S465 N470	M464-E468 HydrophobicContact CE-CB 3.76Å; M464-E468 HydrophobicContact CE-CG 4.4Å; M464-E468 WeakPolarHBondContact CE-OE2 3.36Å; S465-E468 PolarHBondContact O-N 2.91Å; E468-N470 PolarHBondContact O-N 2.92Å; E468-N470 VanDerWaalsContact O-N 3.14Å
469	F	34.9	Very low	36.4	Very low	123 Å²	123	104 Å²	104	54%	0.539	58%	0.579	S	S	.	*			trans	-71.6	106.4	174.8	-88.4	-82.9	0	0	0	111.7	K466 A474	K466-F469 HydrophobicContact CG-CE2 4.41Å; K466-F469 WeakPolarHBondContact O-CD2 3.37Å; F469-A474 HydrophobicContact CD1-CB 4.31Å
470	N	39.2	Very low	36.4	Very low	123 Å²	123	105.1 Å²	105.1	66%	0.658	59%	0.589	S	S	*	*			trans	-89.5	139.4	165.9	-140.9	-9.8	0	0	0	109.9	E468 K472 Q473	E468-N470 PolarHBondContact O-N 2.92Å; E468-N470 VanDerWaalsContact O-N 3.14Å; N470-K472 PolarHBondContact O-N 3.24Å; N470-Q473 PolarHBondContact O-N 3.33Å
471	S	43.3	Very low	36.3	Very low	96 Å²	96	107 Å²	107	67%	0.671	60%	0.595	S	S	*	*	H	α-helix	trans	-57.6	-24.3	-162	61.2	0	0	0	0	116.1
472	K	36.5	Very low	36.3	Very low	193 Å²	193	109 Å²	109	84%	0.839	61%	0.607	S	S	*	*	H	α-helix	trans	-72.7	-26.7	176.4	-74.2	-176.9	176.3	179.9	0	113.8	N470	N470-K472 PolarHBondContact O-N 3.24Å
473	Q	39.6	Very low	36.2	Very low	96 Å²	96	110.9 Å²	110.9	45%	0.449	61%	0.609	S	S	.	*	H	α-helix	trans	-85.5	-30.4	-179.6	-72.3	170.7	-9.3	0	0	112.1	N470 H475 A476 V477	N470-Q473 PolarHBondContact O-N 3.33Å; Q473-H475 VanDerWaalsContact C-N 3.28Å; Q473-H475 PolarHBondContact O-N 3.31Å; Q473-A476 PolarHBondContact O-N 2.82Å; Q473-V477 PolarHBondContact O-N 2.83Å
474	A	37.8	Very low	36	Very low	42 Å²	42	111.9 Å²	111.9	35%	0.347	61%	0.614	S	S	.	*	H	α-helix	trans	-62.1	-34.7	174.7	0	0	0	0	0	112.6	F469 A476 V477 A478	F469-A474 HydrophobicContact CD1-CB 4.31Å; A474-A476 VanDerWaalsContact C-N 3.33Å; A474-A476 PolarHBondContact O-N 3.16Å; A474-V477 PolarHBondContact O-N 3.44Å; A474-A478 PolarHBondContact O-N 2.72Å
475	H	34.3	Very low	36.3	Very low	127 Å²	127	115.2 Å²	115.2	59%	0.588	63%	0.634	S	S	*	*	H	α-helix	trans	-68.4	-30.4	178.4	-162.4	-56.2	0	0	0	112.8	Q473 L479	Q473-H475 VanDerWaalsContact C-N 3.28Å; Q473-H475 PolarHBondContact O-N 3.31Å; H475-L479 WeakPolarHBondContact ND1-CD1 3.4Å; H475-L479 WeakPolarHBondContact O-CG 3.38Å; H475-L479 PolarHBondContact O-N 2.91Å
476	A	38.7	Very low	36.2	Very low	65 Å²	65	114.2 Å²	114.2	54%	0.537	64%	0.636	S	S	.	*	H	α-helix	trans	-72.6	-35	176.2	0	0	0	0	0	111.8	Q473 A474 A480	Q473-A476 PolarHBondContact O-N 2.82Å; A474-A476 VanDerWaalsContact C-N 3.33Å; A474-A476 PolarHBondContact O-N 3.16Å; A476-A480 PolarHBondContact O-N 2.83Å
477	V	38.6	Very low	35.7	Very low	82 Å²	82	113 Å²	113	50%	0.497	64%	0.635	S	S	.	*	H	α-helix	trans	-73.7	-39.4	177.5	178.8	0	0	0	0	111.5	Q473 A474 L479 A480 M481	Q473-V477 PolarHBondContact O-N 2.83Å; A474-V477 PolarHBondContact O-N 3.44Å; V477-L479 VanDerWaalsContact C-N 3.34Å; V477-L479 PolarHBondContact O-N 3.28Å; V477-A480 PolarHBondContact O-N 3.09Å; V477-A480 VanDerWaalsContact O-N 3.12Å; V477-M481 PolarHBondContact O-N 3.17Å
478	A	39.7	Very low	35.6	Very low	57 Å²	57	113 Å²	113	47%	0.471	64%	0.635	S	S	.	*	H	α-helix	trans	-61.6	-41.9	175.8	0	0	0	0	0	112	A474 A480 M481 D482	A474-A478 PolarHBondContact O-N 2.72Å; A478-A480 PolarHBondContact O-N 2.77Å; A478-M481 PolarHBondContact O-N 2.98Å; A478-D482 PolarHBondContact O-N 3.47Å
479	L	38.3	Very low	35.4	Very low	99 Å²	99	114.7 Å²	114.7	52%	0.518	64%	0.643	S	S	.	*	H	α-helix	trans	-66.7	-23.4	175.2	-73.1	171.8	0	0	0	113.5	H475 V477 N483	H475-L479 WeakPolarHBondContact ND1-CD1 3.4Å; H475-L479 WeakPolarHBondContact O-CG 3.38Å; H475-L479 PolarHBondContact O-N 2.91Å; V477-L479 VanDerWaalsContact C-N 3.34Å; V477-L479 PolarHBondContact O-N 3.28Å; L479-N483 PolarHBondContact O-ND2 3.41Å
480	A	37.3	Very low	35.2	Very low	74 Å²	74	114.8 Å²	114.8	61%	0.612	66%	0.658	S	S	*	*	H	α-helix	trans	-80.3	-24.8	177.9	0	0	0	0	0	112.8	A476 V477 A478	A476-A480 PolarHBondContact O-N 2.83Å; V477-A480 PolarHBondContact O-N 3.09Å; V477-A480 VanDerWaalsContact O-N 3.12Å; A478-A480 PolarHBondContact O-N 2.77Å
481	M	32.4	Very low	34.8	Very low	148 Å²	148	116.3 Å²	116.3	73%	0.729	67%	0.665	S	S	*	*	H	α-helix	trans	-86.7	-27.8	-178.1	-68.9	-76.1	-73.7	0	0	113.1	V477 A478	V477-M481 PolarHBondContact O-N 3.17Å; A478-M481 PolarHBondContact O-N 2.98Å
482	D	34.6	Very low	34.2	Very low	139 Å²	139	118.1 Å²	118.1	74%	0.743	67%	0.666	S	S	*	*	S	Bend	trans	-89.5	7.6	-175.7	-86.9	-5	0	0	0	114.9	A478 L484	A478-D482 PolarHBondContact O-N 3.47Å; D482-L484 VanDerWaalsContact C-N 3.33Å; D482-L484 PolarHBondContact O-N 3.08Å
483	N	33.3	Very low	33.8	Very low	130 Å²	130	116 Å²	116	70%	0.695	66%	0.663	S	S	*	*			trans	-92.5	31.8	-177.8	-72.3	-28.1	0	0	0	114.7	L479	L479-N483 PolarHBondContact O-ND2 3.41Å
484	L	30	Very low	33.2	Very low	151 Å²	151	123 Å²	123	79%	0.791	69%	0.686	S	S	*	*	S	Bend	trans	-96.2	115.5	162.5	-73.7	159	0	0	0	107.2	D482	D482-L484 VanDerWaalsContact C-N 3.33Å; D482-L484 PolarHBondContact O-N 3.08Å
485	D	31.9	Very low	32.8	Very low	168 Å²	168	126.3 Å²	126.3	90%	0.898	71%	0.706	S	S	*	*	S	Bend	trans	86.9	23.9	167.8	-56	-23	0	0	0	120.7
486	G	29.5	Very low	32.4	Very low	57 Å²	57	125.2 Å²	125.2	59%	0.588	71%	0.713	S	S	*	*			trans	-123	29.2	-179.1	0	0	0	0	0	118	S488	G486-S488 PolarHBondContact O-N 3.2Å
487	M	28	Very low	31.8	Very low	171 Å²	171	129.4 Å²	129.4	84%	0.842	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	73	-176.9	-79.7	-138.9	70.8	0	0	114
488	S	35	Very low	31.2	Very low	104 Å²	104	134.4 Å²	134.4	73%	0.727	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-149.8	-20.9	152	60	0	0	0	0	114.9	G486	G486-S488 PolarHBondContact O-N 3.2Å
489	E	31.2	Very low	30.6	Very low	164 Å²	164	141.5 Å²	141.5	77%	0.766	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-17.4	-175.3	-77.6	-166.5	149.4	0	0	115.9	L491	E489-L491 VanDerWaalsContact C-N 3.26Å; E489-L491 PolarHBondContact O-N 3.31Å; E489-L491 VanDerWaalsContact O-N 3.17Å
490	C	29.9	Very low	30	Very low	125 Å²	125	144.6 Å²	144.6	85%	0.845	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-2.6	-175.8	-89.8	0	0	0	0	116
491	L	30.5	Very low	29.4	Very low	155 Å²	155	148.1 Å²	148.1	81%	0.812	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-8.5	178.4	-98.2	155.1	0	0	0	114.7	E489	E489-L491 VanDerWaalsContact C-N 3.26Å; E489-L491 PolarHBondContact O-N 3.31Å; E489-L491 VanDerWaalsContact O-N 3.17Å
492	I	31.5	Very low	29.2	Very low	133 Å²	133	149.8 Å²	149.8	68%	0.682	79%	0.794	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	-22.1	-173.2	-61.2	175.4	0	0	0	113.5
493	N	26.9	Very low	28.9	Very low	148 Å²	148	148.6 Å²	148.6	79%	0.791	80%	0.797	S	S	*	*	S	Bend	trans	-98.8	18.1	-170.7	-81.2	-13.1	0	0	0	116.9
494	R	28.4	Very low	28.5	Very low	244 Å²	244	148.2 Å²	148.2	92%	0.921	80%	0.8	S	S	*	*	S	Bend	trans	-107	58.6	172.6	-106.2	-168.8	-174	-179.2	4.6	113.1
495	S	29.4	Very low	28.5	Very low	111 Å²	111	146.5 Å²	146.5	78%	0.776	80%	0.798	S	S	*	*			trans	-163.5	76.8	155.6	61.2	0	0	0	0	111
496	S	25.2	Very low	28.6	Very low	105 Å²	105	145.1 Å²	145.1	73%	0.734	80%	0.795	S	S	*	*			trans	-88.7	126.9	160	50.3	0	0	0	0	109.7
497	N	26.2	Very low	29.1	Very low	152 Å²	152	151.1 Å²	151.1	81%	0.813	81%	0.808	S	S	*	*			trans	79.9	63.7	152.1	-57.5	-17.2	0	0	0	118.9
498	E	26.2	Very low	29.8	Very low	188 Å²	188	152.1 Å²	152.1	88%	0.879	81%	0.808	S	S	*	*	S	Bend	trans	-134.5	136.7	136	-74	-160	158.4	0	0	110.9	I500	E498-I500 PolarHBondContact O-N 3.19Å; E498-I500 VanDerWaalsContact O-N 3.1Å
499	K	26.3	Very low	31	Very low	206 Å²	206	152.6 Å²	152.6	90%	0.896	81%	0.808	S	S	*	*			trans	-53.7	111.4	-169.1	-69.9	169.5	176.8	173.4	0	111.2	N501	K499-N501 PolarHBondContact O-N 3.12Å
500	I	26.7	Very low	33.1	Very low	163 Å²	163	149.8 Å²	149.8	84%	0.836	81%	0.813	S	S	*	*			trans	-66	95.6	175.3	-61.6	167.4	0	0	0	108.5	E498	E498-I500 PolarHBondContact O-N 3.19Å; E498-I500 VanDerWaalsContact O-N 3.1Å
501	N	25.1	Very low	35.8	Very low	149 Å²	149	147.9 Å²	147.9	80%	0.797	80%	0.798	S	S	*	*			trans	-103	116.4	155.7	-86.6	-21.4	0	0	0	107.6	K499	K499-N501 PolarHBondContact O-N 3.12Å
502	Q	28.1	Very low	38.8	Very low	182 Å²	182	142.5 Å²	142.5	85%	0.85	77%	0.767	S	S	*	*	S	Bend	trans	65.4	99.7	164.7	-66.4	177.7	0.4	0	0	116.8	T504	Q502-T504 PolarHBondContact O-N 3.45Å; Q502-T504 VanDerWaalsContact O-N 3.15Å
503	S	27.1	Very low	41.6	Very low	114 Å²	114	140.2 Å²	140.2	80%	0.797	76%	0.759	S	S	*	*			trans	-40.4	102.8	166.2	53.3	0	0	0	0	114.6
504	T	26.1	Very low	44.6	Very low	123 Å²	123	135.8 Å²	135.8	76%	0.755	74%	0.743	S	S	*	*			trans	-91.5	125.7	145.5	48.1	0	0	0	0	107.4	Q502 T506	Q502-T504 PolarHBondContact O-N 3.45Å; Q502-T504 VanDerWaalsContact O-N 3.15Å; T504-T506 PolarHBondContact O-N 3.45Å
505	P	30.2	Very low	47.6	Very low	115 Å²	115	128.1 Å²	128.1	75%	0.747	72%	0.717	S	S	*	*			trans	-60.5	126.1	-174.8	25.3	-32	0	0	0	109	Q507	P505-Q507 VanDerWaalsContact C-N 3.33Å; P505-Q507 PolarHBondContact O-N 2.87Å
506	T	33.8	Very low	50.6	Low	138 Å²	138	123.5 Å²	123.5	85%	0.847	68%	0.682	S	S	*	*			trans	-57.9	95.5	172.5	39.3	0	0	0	0	108.3	T504 K508	T504-T506 PolarHBondContact O-N 3.45Å; T506-K508 PolarHBondContact O-N 3.39Å
507	Q	39.1	Very low	53.8	Low	183 Å²	183	118.9 Å²	118.9	86%	0.855	65%	0.65	S	S	*	*			trans	-61.2	111.8	173	-83.2	-179.9	-11.4	0	0	107.2	P505	P505-Q507 VanDerWaalsContact C-N 3.33Å; P505-Q507 PolarHBondContact O-N 2.87Å
508	K	43.9	Very low	57.1	Low	193 Å²	193	111.7 Å²	111.7	84%	0.839	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-51.4	139	167.3	-80.3	-179.3	176.2	179.7	0	108.1	T506 A510	T506-K508 PolarHBondContact O-N 3.39Å; K508-A510 PolarHBondContact O-N 3.46Å
509	P	59.3	Low	60.3	Low	113 Å²	113	109.1 Å²	109.1	73%	0.734	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-55.3	138.3	177.1	22.3	-31.4	0	0	0	109.6	T511	P509-T511 PolarHBondContact O-N 2.83Å
510	A	75.7	Confident	63.5	Low	106 Å²	106	100.7 Å²	100.7	88%	0.876	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-58.5	130.7	176.2	0	0	0	0	0	109.1	K508	K508-A510 PolarHBondContact O-N 3.46Å
511	T	87.1	Confident	66.9	Low	85 Å²	85	93.6 Å²	93.6	52%	0.521	52%	0.524	S	S	.	.			trans	-106.2	146.3	179.6	52.9	0	0	0	0	108.9	P509 T513	P509-T511 PolarHBondContact O-N 2.83Å; T511-T513 PolarHBondContact O-N 2.75Å
512	W	91.8	Very high	70.3	Confident	41 Å²	41	94.7 Å²	94.7	16%	0.155	52%	0.522	C	S	.	.			trans	-69.9	130.3	176.4	-70.8	87.7	0	0	0	110.1	I822 Q832 I834 F850 M857	W512-I822 HydrophobicContact CB-CD1 4.17Å; W512-I822 HydrophobicContact CD2-CD1 4.45Å; W512-I822 HydrophobicContact CG-CD1 3.69Å; W512-Q832 PolarHBondContact O-NE2 3.06Å; W512-I834 HydrophobicContact CB-CD1 3.89Å; W512-F850 HydrophobicContact CH2-CE1 4.18Å; W512-F850 AromaticContact CZ2-CE1 3.99Å; W512-F850 HydrophobicContact CZ2-CE1 3.99Å; W512-M857 HydrophobicContact CB-CE 3.57Å; W512-M857 HydrophobicContact CD2-CE 3.87Å; W512-M857 HydrophobicContact CD2-CG 4.28Å; W512-M857 HydrophobicContact CD2-SD 3.82Å; W512-M857 HydrophobicContact CE3-CE 3.99Å; W512-M857 HydrophobicContact CE3-CG 3.73Å; W512-M857 HydrophobicContact CE3-SD 3.9Å; W512-M857 HydrophobicContact CG-CE 3.73Å; W512-M857 HydrophobicContact CG-SD 4.17Å; W512-M857 HydrophobicContact CH2-CG 4.42Å; W512-M857 HydrophobicContact CZ3-CB 4.29Å; W512-M857 HydrophobicContact CZ3-CG 3.82Å; W512-M857 HydrophobicContact CZ3-SD 4.34Å
513	T	91.1	Very high	73.5	Confident	85 Å²	85	88.5 Å²	88.5	52%	0.521	50%	0.495	S	S	.	.			trans	-127.5	142.8	180	58.1	0	0	0	0	111.1	T511 K515 Y869 V870	T511-T513 PolarHBondContact O-N 2.75Å; T513-K515 PolarHBondContact O-N 3.26Å; T513-K515 VanDerWaalsContact O-N 3.09Å; T513-Y869 WeakPolarHBondContact O-CA 2.92Å; T513-V870 PolarHBondContact N-O 3.28Å; T513-V870 PolarHBondContact O-N 3.46Å; T513-V870 VanDerWaalsContact O-N 3.1Å
514	A	90.9	Very high	76.9	Confident	56 Å²	56	83.2 Å²	83.2	46%	0.463	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	111	178.5	0	0	0	0	0	109.4	Y869	A514-Y869 HydrophobicContact CB-CD1 3.85Å; A514-Y869 HydrophobicContact CB-CE1 3.67Å
515	K	90.7	Very high	80.3	Confident	83 Å²	83	77.4 Å²	77.4	36%	0.361	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-41.4	179.9	-173.1	178	-179.5	-162.2	0	111.8	T513 V868 V870	T513-K515 PolarHBondContact O-N 3.26Å; T513-K515 VanDerWaalsContact O-N 3.09Å; K515-V868 PolarHBondContact N-O 3.29Å; K515-V870 HydrophobicContact CB-CG2 3.94Å; K515-V870 HydrophobicContact CD-CB 4.25Å; K515-V870 HydrophobicContact CD-CG2 3.5Å; K515-V870 VanDerWaalsContact CD-CG2 3.5Å; K515-V870 HydrophobicContact CG-CG2 4.37Å
516	Y	92.2	Very high	83.6	Confident	13 Å²	13	74.3 Å²	74.3	5%	0.051	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	145.5	-179	-51.8	-72.2	0	0	0	110.6	L551 T554 F563 V565 F856 K867 V868	Y516-L551 HydrophobicContact CD2-CD2 4.07Å; Y516-L551 HydrophobicContact CE2-CB 4.17Å; Y516-L551 HydrophobicContact CE2-CD2 4.5Å; Y516-L551 PolarHBondContact OH-O 3.47Å; Y516-T554 HydrophobicContact CD1-CG2 4.44Å; Y516-T554 HydrophobicContact CE1-CG2 3.58Å; Y516-F563 HydrophobicContact CD1-CB 4.21Å; Y516-F563 HydrophobicContact CE1-CB 3.93Å; Y516-V565 HydrophobicContact CD1-CG2 3.74Å; Y516-V565 HydrophobicContact CE1-CG2 4.14Å; Y516-V565 HydrophobicContact CG-CG2 4.25Å; Y516-F856 HydrophobicContact CE2-CE1 4.28Å; Y516-K867 WeakPolarHBondContact O-CA 3.31Å; Y516-V868 HydrophobicContact CD2-CB 4.1Å; Y516-V868 HydrophobicContact CD2-CG1 4.27Å; Y516-V868 PolarHBondContact N-O 3.38Å; Y516-V868 VanDerWaalsContact N-O 3.13Å; Y516-V868 PolarHBondContact O-N 2.97Å
517	T	93.1	Very high	86.6	Confident	9 Å²	9	69.6 Å²	69.6	6%	0.055	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	112.7	167	-60.6	0	0	0	0	107.5	R519 L865 A866 K867	T517-R519 VanDerWaalsContact CB-NH1 3.33Å; T517-R519 HydrophobicContact CG2-CG 4.17Å; T517-R519 VanDerWaalsContact CG2-NH2 3.3Å; T517-R519 PolarHBondContact O-NH1 3.02Å; T517-L865 HydrophobicContact CG2-CD1 4.3Å; T517-L865 HydrophobicContact CG2-CD2 4.44Å; T517-A866 CarbonylContact C-O 3.59Å; T517-A866 WeakPolarHBondContact CA-O 3.25Å; T517-K867 HydrophobicContact CG2-CG 4.1Å
518	L	94.7	Very high	89.4	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.005	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	117.7	-173.1	-49.1	-179.7	0	0	0	108.9	L537 W549 L551 V565 A866 V868	L518-L537 HydrophobicContact CD1-CD1 3.97Å; L518-L537 HydrophobicContact CD1-CD2 4.18Å; L518-L537 HydrophobicContact CD1-CG 4.49Å; L518-W549 HydrophobicContact CB-CD2 4.23Å; L518-W549 HydrophobicContact CB-CE3 3.99Å; L518-W549 HydrophobicContact CB-CH2 3.73Å; L518-W549 HydrophobicContact CB-CZ2 4.04Å; L518-W549 HydrophobicContact CB-CZ3 3.74Å; L518-W549 HydrophobicContact CD1-CB 4.31Å; L518-W549 HydrophobicContact CD1-CD2 3.85Å; L518-W549 HydrophobicContact CD1-CE3 4.22Å; L518-W549 HydrophobicContact CD1-CG 3.9Å; L518-W549 HydrophobicContact CD2-CD2 4.46Å; L518-W549 HydrophobicContact CD2-CE3 4.02Å; L518-W549 HydrophobicContact CD2-CZ3 4.4Å; L518-W549 HydrophobicContact CG-CD2 4.4Å; L518-W549 HydrophobicContact CG-CE3 4.3Å; L518-L551 HydrophobicContact CD2-CD2 4.35Å; L518-V565 HydrophobicContact CD2-CB 3.67Å; L518-V565 HydrophobicContact CD2-CG1 4.08Å; L518-V565 HydrophobicContact CD2-CG2 4.26Å; L518-A866 HydrophobicContact CB-CB 4.16Å; L518-A866 HydrophobicContact CD1-CB 4.09Å; L518-A866 HydrophobicContact CG-CB 4.43Å; L518-A866 PolarHBondContact N-O 3.3Å; L518-A866 PolarHBondContact O-N 3.4Å; L518-V868 HydrophobicContact CD1-CG2 4.13Å
519	R	93.8	Very high	91.9	Very high	133 Å²	133	53.4 Å²	53.4	50%	0.502	30%	0.295	S	S	.	.			trans	-124.2	80.9	-169	-67.1	-179.6	-179	84.5	-1.5	111.7	T517 L865	T517-R519 VanDerWaalsContact CB-NH1 3.33Å; T517-R519 HydrophobicContact CG2-CG 4.17Å; T517-R519 VanDerWaalsContact CG2-NH2 3.3Å; T517-R519 PolarHBondContact O-NH1 3.02Å; R519-L865 HydrophobicContact CB-CD2 4.43Å; R519-L865 HydrophobicContact CG-CD2 3.66Å
520	S	93.5	Very high	93.7	Very high	30 Å²	30	48.6 Å²	48.6	21%	0.21	26%	0.263	C	S	.	.			trans	-147.3	-17.7	178.4	-169.6	0	0	0	0	115.4	K547	S520-K547 VanDerWaalsContact C-CE 3.5Å; S520-K547 WeakPolarHBondContact O-CE 3.47Å; S520-K547 PolarHBondContact O-NZ 2.77Å; S520-K547 WeakPolarHBondContact OG-CE 3.46Å; S520-K547 PolarHBondContact OG-NZ 2.96Å
521	H	97	Very high	94.5	Very high	13 Å²	13	44 Å²	44	6%	0.06	22%	0.223	C	C	.	.			trans	-72.6	148	173.5	-80.1	-67.3	0	0	0	110.6	I525 T539 S541 D543 K547 A864	H521-I525 HydrophobicContact CB-CD1 4.32Å; H521-I525 HydrophobicContact CB-CG1 4.07Å; H521-T539 PolarHBondContact CD2-OG1 3.26Å; H521-T539 PolarHBondContact NE2-OG1 3.13Å; H521-S541 VanDerWaalsContact CE1-CB 3.46Å; H521-S541 WeakPolarHBondContact CE1-CB 3.4Å; H521-S541 WeakPolarHBondContact ND1-CB 3.23Å; H521-D543 WeakPolarHBondContact CA-OD2 3.42Å; H521-D543 IonicContact CE1-OD1 2.71Å; H521-D543 IonicContact CE1-OD2 3.55Å; H521-D543 IonicContact CG-OD2 2.99Å; H521-D543 IonicContact ND1-OD1 3.46Å; H521-D543 PolarHBondContact ND1-OD1 3.21Å; H521-D543 IonicContact ND1-OD2 3.62Å; H521-D543 PolarHBondContact ND1-OD2 2.91Å; H521-K547 WeakPolarHBondContact ND1-CE 3.2Å; H521-A864 HydrophobicContact CB-CB 4.5Å
522	F	96.2	Very high	94.6	Very high	172 Å²	172	42 Å²	42	75%	0.754	21%	0.212	S	C	*	.	S	Bend	trans	-96.3	-10.2	179.4	-61.1	-68.4	0	0	0	112.9	D543	F522-D543 HydrophobicContact CB-CB 4.19Å; F522-D543 PolarHBondContact N-OD2 3.33Å
523	D	97.1	Very high	94.3	Very high	53 Å²	53	43 Å²	43	28%	0.283	23%	0.225	S	C	.	.	S	Bend	trans	-145.5	-177.3	176.1	-144.1	-14.9	0	0	0	112.2	I525 S541 E542 D543 K840 A864	D523-I525 PolarHBondContact O-N 3.41Å; D523-S541 PolarHBondContact O-OG 3.32Å; D523-E542 HydrophobicContact CB-CB 4.1Å; D523-D543 HydrophobicContact CB-CB 4.25Å; D523-K840 IonicContact OD1-NZ 3.96Å; D523-K840 PolarHBondContact OD1-NZ 3.43Å; D523-A864 VanDerWaalsContact O-CA 3.31Å; D523-A864 WeakPolarHBondContact O-CA 3.4Å; D523-A864 WeakPolarHBondContact O-CB 3.3Å
524	A	97.7	Very high	94.2	Very high	3 Å²	3	41.4 Å²	41.4	3%	0.025	21%	0.212	C	C	.	.			trans	-47.7	135.6	-178.1	0	0	0	0	0	112.4	S541 E542	A524-S541 CarbonylContact O-C 3.52Å; A524-S541 WeakPolarHBondContact O-CA 3.29Å; A524-S541 VanDerWaalsContact O-CB 3.32Å; A524-S541 WeakPolarHBondContact O-CB 3.1Å; A524-S541 PolarHBondContact O-OG 3.42Å; A524-E542 HydrophobicContact CB-CG 4.12Å; A524-E542 PolarHBondContact O-N 3.33Å
525	I	98.4	Very high	94.3	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	127.2	174	-53.7	180	0	0	0	107.1	H521 D523 T539 C540 N846 A860 G861 L865 A866	H521-I525 HydrophobicContact CB-CD1 4.32Å; H521-I525 HydrophobicContact CB-CG1 4.07Å; D523-I525 PolarHBondContact O-N 3.41Å; I525-T539 HydrophobicContact CG2-CG2 4.29Å; I525-C540 CarbonylContact C-O 3.49Å; I525-C540 WeakPolarHBondContact CA-O 3.44Å; I525-C540 WeakPolarHBondContact CG2-O 3.5Å; I525-N846 WeakPolarHBondContact O-CB 3.48Å; I525-N846 PolarHBondContact O-ND2 3.28Å; I525-A860 HydrophobicContact CB-CB 3.75Å; I525-A860 HydrophobicContact CD1-CB 4.31Å; I525-A860 HydrophobicContact CG2-CB 3.46Å; I525-A860 VanDerWaalsContact CG2-CB 3.46Å; I525-G861 PolarHBondContact N-O 2.98Å; I525-L865 VanDerWaalsContact CD1-C 3.44Å; I525-A866 HydrophobicContact CD1-CB 3.85Å
526	R	98	Very high	94.4	Very high	50 Å²	50	35.3 Å²	35.3	19%	0.189	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	-36.3	-174	-68.6	-57.6	-51.4	-176.4	-0.5	113.7	C540 E542 V578 L579 E843	R526-C540 PolarHBondContact N-O 3.47Å; R526-E542 VanDerWaalsContact CD-OE1 3.29Å; R526-E542 WeakPolarHBondContact CD-OE1 3.39Å; R526-E542 HydrophobicContact CG-CG 3.89Å; R526-E542 IonicContact NH1-OE1 3.31Å; R526-V578 WeakPolarHBondContact CB-O 3.42Å; R526-V578 WeakPolarHBondContact CG-O 3.5Å; R526-L579 HydrophobicContact CG-CD2 4Å; R526-E843 IonicContact NH1-OE1 3.46Å; R526-E843 IonicContact NH1-OE2 3.97Å
527	D	98.2	Very high	94.5	Very high	39 Å²	39	34.7 Å²	34.7	21%	0.209	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	156.3	-177.7	-163.7	14.3	0	0	0	112.1	C540 V581	D527-C540 WeakPolarHBondContact CB-SG 3.34Å; D527-C540 PolarHBondContact N-SG 2.8Å; D527-C540 VanDerWaalsContact N-SG 3.42Å; D527-C540 PolarHBondContact O-N 3.2Å; D527-V581 HydrophobicContact CB-CG1 4.05Å; D527-V581 PolarHBondContact OD2-N 3.31Å
528	I	97.5	Very high	94.7	Very high	7 Å²	7	34.3 Å²	34.3	4%	0.036	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	132.7	-176.4	-170.9	166.9	0	0	0	110.6	L537 V538 T539 A847 A849 A858 A860 A866	I528-L537 HydrophobicContact CD1-CD1 3.85Å; I528-L537 HydrophobicContact CG1-CD1 3.98Å; I528-V538 WeakPolarHBondContact CA-O 3.41Å; I528-T539 HydrophobicContact CD1-CG2 4.01Å; I528-T539 HydrophobicContact CG1-CG2 4.03Å; I528-A847 HydrophobicContact CB-CB 4.37Å; I528-A847 HydrophobicContact CG2-CB 3.72Å; I528-A849 HydrophobicContact CG2-CB 4Å; I528-A858 HydrophobicContact CD1-CB 3.38Å; I528-A858 HydrophobicContact CG1-CB 4.47Å; I528-A860 HydrophobicContact CB-CB 4.5Å; I528-A866 HydrophobicContact CD1-CB 4.45Å
529	C	96.5	Very high	94.9	Very high	28 Å²	28	34.2 Å²	34.2	19%	0.189	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	131.8	179.2	-174.3	0	0	0	0	110.7	L537 V538 V581	C529-L537 CarbonylContact O-C 3.5Å; C529-L537 VanDerWaalsContact O-CA 3.25Å; C529-L537 WeakPolarHBondContact O-CA 3.41Å; C529-L537 WeakPolarHBondContact O-CB 3.38Å; C529-V538 PolarHBondContact N-O 3.19Å; C529-V538 PolarHBondContact O-N 3.16Å; C529-V581 HydrophobicContact CB-CG1 3.9Å
530	F	95.9	Very high	95.1	Very high	12 Å²	12	27.9 Å²	27.9	5%	0.053	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	151.4	174.1	-83.4	-76.1	0	0	0	111.9	L537 L551 A849 H851 F856 A858	F530-L537 HydrophobicContact CD1-CB 3.71Å; F530-L537 HydrophobicContact CD1-CD2 4.27Å; F530-L537 HydrophobicContact CE1-CB 3.94Å; F530-L537 HydrophobicContact CE1-CD2 3.6Å; F530-L537 HydrophobicContact CE1-CG 4.42Å; F530-L537 HydrophobicContact CG-CB 4.28Å; F530-L537 HydrophobicContact CZ-CD2 4.04Å; F530-L551 HydrophobicContact CE1-CD1 4.28Å; F530-A849 HydrophobicContact CD2-CB 3.83Å; F530-A849 HydrophobicContact CE2-CB 4.11Å; F530-A849 WeakPolarHBondContact CE2-O 3.32Å; F530-H851 HydrophobicContact CB-CB 4.5Å; F530-H851 HydrophobicContact CD1-CB 4.08Å; F530-H851 AromaticContact CD1-CD2 3.57Å; F530-H851 HydrophobicContact CD2-CB 4.1Å; F530-H851 HydrophobicContact CE1-CB 4.29Å; F530-H851 HydrophobicContact CE2-CB 4.3Å; F530-H851 HydrophobicContact CG-CB 3.98Å; F530-H851 HydrophobicContact CZ-CB 4.38Å; F530-F856 HydrophobicContact CE1-CB 4.22Å; F530-F856 HydrophobicContact CZ-CB 4.08Å; F530-A858 HydrophobicContact CE2-CB 3.61Å; F530-A858 HydrophobicContact CZ-CB 3.55Å
531	H	92.7	Very high	95.3	Very high	9 Å²	9	26.5 Å²	26.5	4%	0.042	14%	0.137	C	C	.	.			trans	-64	141	164	-172.6	-95.2	0	0	0	110.5	S533 E534 V536 M583 I603	H531-S533 PolarHBondContact CE1-OG 3.48Å; H531-S533 PolarHBondContact ND1-N 3.31Å; H531-S533 PolarHBondContact ND1-OG 2.86Å; H531-S533 PolarHBondContact O-N 2.88Å; H531-E534 HydrophobicContact CB-CB 4.31Å; H531-E534 VanDerWaalsContact ND1-CB 3.33Å; H531-E534 WeakPolarHBondContact ND1-CB 3.47Å; H531-E534 PolarHBondContact ND1-N 3.07Å; H531-V536 HydrophobicContact CB-CB 3.94Å; H531-V536 HydrophobicContact CB-CG1 4.42Å; H531-V536 WeakPolarHBondContact CB-O 3.34Å; H531-V536 PolarHBondContact N-O 3.38Å; H531-M583 HydrophobicContact CB-SD 3.97Å; H531-M583 VanDerWaalsContact CD2-SD 3.56Å; H531-I603 WeakPolarHBondContact CD2-CD1 3.4Å; H531-I603 VanDerWaalsContact NE2-CD1 3.32Å; H531-I603 WeakPolarHBondContact NE2-CD1 3.41Å
532	P	88.7	Confident	95.4	Very high	43 Å²	43	28.6 Å²	28.6	28%	0.279	15%	0.147	S	C	.	.	S	Bend	trans	-57.9	-23.5	-176.7	-7.2	-1.1	0	0	0	115.5	P585 P852 T853	P532-P585 HydrophobicContact CB-CG 4.44Å; P532-P585 HydrophobicContact CG-CB 3.97Å; P532-P585 HydrophobicContact CG-CG 3.56Å; P532-P852 WeakPolarHBondContact O-CG 3.23Å; P532-T853 WeakPolarHBondContact O-CG2 3.34Å
533	S	86.9	Confident	95.4	Very high	63 Å²	63	21.7 Å²	21.7	44%	0.441	12%	0.118	S	C	.	.	S	Bend	trans	-139	-22.1	-174.6	59.1	0	0	0	0	115.5	H531 Q854	H531-S533 PolarHBondContact CE1-OG 3.48Å; H531-S533 PolarHBondContact ND1-N 3.31Å; H531-S533 PolarHBondContact ND1-OG 2.86Å; H531-S533 PolarHBondContact O-N 2.88Å; S533-Q854 PolarHBondContact O-NE2 2.96Å
534	E	89.4	Confident	95.4	Very high	52 Å²	52	22.9 Å²	22.9	24%	0.243	12%	0.122	C	C	.	.	S	Bend	trans	-108.5	155.9	-169.2	-64.8	-172.3	-169.1	0	0	109.4	H531 V536 L622 H851	H531-E534 HydrophobicContact CB-CB 4.31Å; H531-E534 VanDerWaalsContact ND1-CB 3.33Å; H531-E534 WeakPolarHBondContact ND1-CB 3.47Å; H531-E534 PolarHBondContact ND1-N 3.07Å; E534-V536 HydrophobicContact CB-CB 4.5Å; E534-V536 HydrophobicContact CB-CG2 4.28Å; E534-V536 PolarHBondContact O-N 3.49Å; E534-L622 WeakPolarHBondContact OE2-CD2 3.37Å; E534-H851 PolarHBondContact O-NE2 3.39Å
535	S	91.6	Very high	95.4	Very high	9 Å²	9	23.5 Å²	23.5	6%	0.063	13%	0.126	C	C	.	.	S	Bend	trans	-75.5	52.7	179.5	-39	0	0	0	0	111.6	L551 Q854	S535-L551 WeakPolarHBondContact O-CB 3.04Å; S535-L551 WeakPolarHBondContact O-CG 3.41Å; S535-L551 PolarHBondContact O-N 3.1Å; S535-Q854 VanDerWaalsContact OG-CD 3.32Å; S535-Q854 PolarHBondContact OG-NE2 3.42Å; S535-Q854 PolarHBondContact OG-OE1 3.48Å
536	V	92.8	Very high	95.3	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.006	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	143.1	-175.3	171	0	0	0	0	108	H531 E534 L548 W549 N550 L622	H531-V536 HydrophobicContact CB-CB 3.94Å; H531-V536 HydrophobicContact CB-CG1 4.42Å; H531-V536 WeakPolarHBondContact CB-O 3.34Å; H531-V536 PolarHBondContact N-O 3.38Å; E534-V536 HydrophobicContact CB-CB 4.5Å; E534-V536 HydrophobicContact CB-CG2 4.28Å; E534-V536 PolarHBondContact O-N 3.49Å; V536-L548 HydrophobicContact CG1-CD1 3.44Å; V536-L548 VanDerWaalsContact CG1-CD1 3.44Å; V536-L548 HydrophobicContact CG1-CG 4.18Å; V536-W549 WeakPolarHBondContact CA-O 3.44Å; V536-W549 WeakPolarHBondContact CG1-O 3.32Å; V536-N550 HydrophobicContact CG2-CB 4.02Å; V536-L622 HydrophobicContact CB-CD2 4.13Å; V536-L622 HydrophobicContact CG1-CD2 3.89Å; V536-L622 HydrophobicContact CG2-CD2 3.75Å
537	L	95.6	Very high	95.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	159.2	174.8	67	96.6	0	0	0	110.6	L518 I528 C529 F530 T539 W549 L551 V868	L518-L537 HydrophobicContact CD1-CD1 3.97Å; L518-L537 HydrophobicContact CD1-CD2 4.18Å; L518-L537 HydrophobicContact CD1-CG 4.49Å; I528-L537 HydrophobicContact CD1-CD1 3.85Å; I528-L537 HydrophobicContact CG1-CD1 3.98Å; C529-L537 CarbonylContact O-C 3.5Å; C529-L537 VanDerWaalsContact O-CA 3.25Å; C529-L537 WeakPolarHBondContact O-CA 3.41Å; C529-L537 WeakPolarHBondContact O-CB 3.38Å; F530-L537 HydrophobicContact CD1-CB 3.71Å; F530-L537 HydrophobicContact CD1-CD2 4.27Å; F530-L537 HydrophobicContact CE1-CB 3.94Å; F530-L537 HydrophobicContact CE1-CD2 3.6Å; F530-L537 HydrophobicContact CE1-CG 4.42Å; F530-L537 HydrophobicContact CG-CB 4.28Å; F530-L537 HydrophobicContact CZ-CD2 4.04Å; L537-T539 HydrophobicContact CD1-CG2 3.68Å; L537-W549 HydrophobicContact CD1-CB 4.32Å; L537-W549 VanDerWaalsContact CD1-CD1 3.46Å; L537-W549 HydrophobicContact CD1-CG 4.08Å; L537-W549 HydrophobicContact CG-CB 4.16Å; L537-W549 HydrophobicContact CG-CG 4.45Å; L537-W549 PolarHBondContact N-O 3.05Å; L537-W549 PolarHBondContact O-N 3.33Å; L537-L551 HydrophobicContact CD2-CD1 4.1Å; L537-L551 HydrophobicContact CD2-CD2 4.04Å; L537-L551 HydrophobicContact CD2-CG 4.28Å; L537-V868 HydrophobicContact CD2-CG2 3.75Å
538	V	96.7	Very high	95	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.006	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135.9	173.5	-179.8	0	0	0	0	108.6	I528 C529 L546 K547 L548 V581 M583 I605	I528-V538 WeakPolarHBondContact CA-O 3.41Å; C529-V538 PolarHBondContact N-O 3.19Å; C529-V538 PolarHBondContact O-N 3.16Å; V538-L546 HydrophobicContact CG1-CB 4.16Å; V538-L546 HydrophobicContact CG1-CD2 4.06Å; V538-K547 VanDerWaalsContact CA-O 3.27Å; V538-K547 WeakPolarHBondContact CA-O 3.44Å; V538-L548 HydrophobicContact CG2-CD1 3.5Å; V538-V581 HydrophobicContact CB-CG2 4.46Å; V538-V581 HydrophobicContact CG1-CG2 3.95Å; V538-M583 HydrophobicContact CG2-CE 3.58Å; V538-I605 HydrophobicContact CG1-CG2 4.44Å; V538-I605 HydrophobicContact CG2-CD1 3.76Å; V538-I605 HydrophobicContact CG2-CG1 4.34Å
539	T	98.3	Very high	94.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	146.7	169.8	53.8	0	0	0	0	109.6	H521 I525 I528 L537 L546 K547 W549 A866	H521-T539 PolarHBondContact CD2-OG1 3.26Å; H521-T539 PolarHBondContact NE2-OG1 3.13Å; I525-T539 HydrophobicContact CG2-CG2 4.29Å; I528-T539 HydrophobicContact CD1-CG2 4.01Å; I528-T539 HydrophobicContact CG1-CG2 4.03Å; L537-T539 HydrophobicContact CD1-CG2 3.68Å; T539-L546 CarbonylContact O-C 3.51Å; T539-L546 WeakPolarHBondContact O-CA 3.38Å; T539-L546 WeakPolarHBondContact O-CB 3.29Å; T539-K547 PolarHBondContact N-O 2.85Å; T539-K547 PolarHBondContact O-N 3.11Å; T539-W549 PolarHBondContact OG1-NE1 3.42Å; T539-A866 HydrophobicContact CG2-CB 3.91Å
540	C	97.9	Very high	94.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	146.4	173.2	72.1	0	0	0	0	111.1	I525 R526 D527 L546 V578 V581	I525-C540 CarbonylContact C-O 3.49Å; I525-C540 WeakPolarHBondContact CA-O 3.44Å; I525-C540 WeakPolarHBondContact CG2-O 3.5Å; R526-C540 PolarHBondContact N-O 3.47Å; D527-C540 WeakPolarHBondContact CB-SG 3.34Å; D527-C540 PolarHBondContact N-SG 2.8Å; D527-C540 VanDerWaalsContact N-SG 3.42Å; D527-C540 PolarHBondContact O-N 3.2Å; C540-L546 HydrophobicContact CB-CD2 3.78Å; C540-L546 HydrophobicContact CB-CG 3.77Å; C540-V578 HydrophobicContact CB-CB 3.94Å; C540-V578 HydrophobicContact CB-CG1 3.57Å; C540-V581 HydrophobicContact CB-CB 4.33Å
541	S	98.3	Very high	94.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	161.4	-166.7	174.1	0	0	0	0	113.1	H521 D523 A524 D543 H544 T545 V578	H521-S541 VanDerWaalsContact CE1-CB 3.46Å; H521-S541 WeakPolarHBondContact CE1-CB 3.4Å; H521-S541 WeakPolarHBondContact ND1-CB 3.23Å; D523-S541 PolarHBondContact O-OG 3.32Å; A524-S541 CarbonylContact O-C 3.52Å; A524-S541 WeakPolarHBondContact O-CA 3.29Å; A524-S541 VanDerWaalsContact O-CB 3.32Å; A524-S541 WeakPolarHBondContact O-CB 3.1Å; A524-S541 PolarHBondContact O-OG 3.42Å; S541-D543 WeakPolarHBondContact CB-OD1 3.25Å; S541-D543 PolarHBondContact O-N 3.45Å; S541-D543 PolarHBondContact OG-N 3.4Å; S541-D543 VanDerWaalsContact OG-N 3.13Å; S541-D543 PolarHBondContact OG-OD1 3.41Å; S541-H544 PolarHBondContact O-N 3.4Å; S541-T545 PolarHBondContact N-O 3.48Å; S541-V578 PolarHBondContact O-N 2.84Å
542	E	98.1	Very high	94.1	Very high	57 Å²	57	22.6 Å²	22.6	27%	0.266	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-11.8	167.9	-60.9	-177.5	-171	0	0	113.1	D523 A524 R526 H544 P577	D523-E542 HydrophobicContact CB-CB 4.1Å; A524-E542 HydrophobicContact CB-CG 4.12Å; A524-E542 PolarHBondContact O-N 3.33Å; R526-E542 VanDerWaalsContact CD-OE1 3.29Å; R526-E542 WeakPolarHBondContact CD-OE1 3.39Å; R526-E542 HydrophobicContact CG-CG 3.89Å; R526-E542 IonicContact NH1-OE1 3.31Å; E542-H544 PolarHBondContact O-CD2 3.24Å; E542-H544 PolarHBondContact O-N 3.32Å; E542-H544 VanDerWaalsContact O-N 3.09Å; E542-P577 HydrophobicContact CB-CB 4.23Å; E542-P577 HydrophobicContact CG-CB 4.21Å
543	D	97.7	Very high	93.8	Very high	27 Å²	27	23.7 Å²	23.7	14%	0.144	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	10	170.5	74.6	9.9	0	0	0	114.6	H521 F522 D523 S541 T545	H521-D543 WeakPolarHBondContact CA-OD2 3.42Å; H521-D543 IonicContact CE1-OD1 2.71Å; H521-D543 IonicContact CE1-OD2 3.55Å; H521-D543 IonicContact CG-OD2 2.99Å; H521-D543 IonicContact ND1-OD1 3.46Å; H521-D543 PolarHBondContact ND1-OD1 3.21Å; H521-D543 IonicContact ND1-OD2 3.62Å; H521-D543 PolarHBondContact ND1-OD2 2.91Å; F522-D543 HydrophobicContact CB-CB 4.19Å; F522-D543 PolarHBondContact N-OD2 3.33Å; D523-D543 HydrophobicContact CB-CB 4.25Å; S541-D543 WeakPolarHBondContact CB-OD1 3.25Å; S541-D543 PolarHBondContact O-N 3.45Å; S541-D543 PolarHBondContact OG-N 3.4Å; S541-D543 VanDerWaalsContact OG-N 3.13Å; S541-D543 PolarHBondContact OG-OD1 3.41Å; D543-T545 VanDerWaalsContact CG-OG1 3.3Å; D543-T545 PolarHBondContact O-N 3Å; D543-T545 WeakPolarHBondContact OD1-CA 3.4Å; D543-T545 WeakPolarHBondContact OD1-CB 3.21Å; D543-T545 PolarHBondContact OD1-N 3.32Å; D543-T545 PolarHBondContact OD1-OG1 3.19Å; D543-T545 PolarHBondContact OD2-OG1 3.45Å
544	H	97.6	Very high	93.4	Very high	78 Å²	78	23 Å²	23	36%	0.361	12%	0.117	S	C	.	.	S	Bend	trans	67.4	9.6	-179.4	-44.9	167.5	0	0	0	114.4	S541 E542 P577	S541-H544 PolarHBondContact O-N 3.4Å; E542-H544 PolarHBondContact O-CD2 3.24Å; E542-H544 PolarHBondContact O-N 3.32Å; E542-H544 VanDerWaalsContact O-N 3.09Å; H544-P577 VanDerWaalsContact CD2-N 3.27Å
545	T	96.7	Very high	92.6	Very high	17 Å²	17	23.4 Å²	23.4	10%	0.104	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	159.5	-178.5	74.9	0	0	0	0	112.7	S541 D543 T570 F571 R572	S541-T545 PolarHBondContact N-O 3.48Å; D543-T545 VanDerWaalsContact CG-OG1 3.3Å; D543-T545 PolarHBondContact O-N 3Å; D543-T545 WeakPolarHBondContact OD1-CA 3.4Å; D543-T545 WeakPolarHBondContact OD1-CB 3.21Å; D543-T545 PolarHBondContact OD1-N 3.32Å; D543-T545 PolarHBondContact OD1-OG1 3.19Å; D543-T545 PolarHBondContact OD2-OG1 3.45Å; T545-T570 HydrophobicContact CG2-CG2 4.1Å; T545-F571 WeakPolarHBondContact CA-O 3.48Å; T545-F571 WeakPolarHBondContact CB-O 3.32Å; T545-R572 HydrophobicContact CG2-CG 4.16Å
546	L	96.8	Very high	91.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	150.9	162.8	-57.2	89.7	0	0	0	109.2	V538 T539 C540 T570 F571 V578 V581 S607 W617	V538-L546 HydrophobicContact CG1-CB 4.16Å; V538-L546 HydrophobicContact CG1-CD2 4.06Å; T539-L546 CarbonylContact O-C 3.51Å; T539-L546 WeakPolarHBondContact O-CA 3.38Å; T539-L546 WeakPolarHBondContact O-CB 3.29Å; C540-L546 HydrophobicContact CB-CD2 3.78Å; C540-L546 HydrophobicContact CB-CG 3.77Å; L546-T570 CarbonylContact O-C 3.53Å; L546-T570 WeakPolarHBondContact O-CA 3.34Å; L546-F571 HydrophobicContact CB-CB 4.05Å; L546-F571 HydrophobicContact CB-CD2 3.69Å; L546-F571 HydrophobicContact CB-CG 4.26Å; L546-F571 HydrophobicContact CD1-CB 4.32Å; L546-F571 PolarHBondContact N-O 2.84Å; L546-F571 PolarHBondContact O-N 3.49Å; L546-V578 HydrophobicContact CD1-CG1 4.08Å; L546-V578 HydrophobicContact CD1-CG2 4.06Å; L546-V578 HydrophobicContact CD2-CG1 4.34Å; L546-V578 HydrophobicContact CG-CG1 4.19Å; L546-V581 HydrophobicContact CD2-CB 4.25Å; L546-V581 HydrophobicContact CD2-CG2 3.73Å; L546-S607 VanDerWaalsContact CD2-CB 3.47Å; L546-W617 HydrophobicContact CD1-CZ2 4.21Å
547	K	95.2	Very high	89.6	Confident	5 Å²	5	33 Å²	33	2%	0.022	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	132	177.9	-67.8	177.4	-170.2	-86.4	0	110.7	S520 H521 V538 T539 W549 P567 Y569 T570	S520-K547 VanDerWaalsContact C-CE 3.5Å; S520-K547 WeakPolarHBondContact O-CE 3.47Å; S520-K547 PolarHBondContact O-NZ 2.77Å; S520-K547 WeakPolarHBondContact OG-CE 3.46Å; S520-K547 PolarHBondContact OG-NZ 2.96Å; H521-K547 WeakPolarHBondContact ND1-CE 3.2Å; V538-K547 VanDerWaalsContact CA-O 3.27Å; V538-K547 WeakPolarHBondContact CA-O 3.44Å; T539-K547 PolarHBondContact N-O 2.85Å; T539-K547 PolarHBondContact O-N 3.11Å; K547-W549 HydrophobicContact CB-CZ2 3.82Å; K547-W549 HydrophobicContact CD-CH2 4.27Å; K547-W549 HydrophobicContact CD-CZ2 3.79Å; K547-W549 HydrophobicContact CG-CZ2 4.46Å; K547-W549 VanDerWaalsContact O-CD1 3.22Å; K547-W549 PolarHBondContact O-NE1 2.84Å; K547-P567 HydrophobicContact CB-CB 4.08Å; K547-P567 HydrophobicContact CD-CB 4.32Å; K547-P567 HydrophobicContact CD-CG 4.45Å; K547-P567 HydrophobicContact CG-CB 4.33Å; K547-Y569 WeakPolarHBondContact CA-O 3.23Å; K547-T570 HydrophobicContact CG-CG2 4.18Å; K547-T570 PolarHBondContact NZ-OG1 3.34Å
548	L	94.4	Very high	87.9	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	130.3	173.6	-173.6	66.8	0	0	0	109.2	V536 V538 P567 I568 Y569 F571 M583 V619	V536-L548 HydrophobicContact CG1-CD1 3.44Å; V536-L548 VanDerWaalsContact CG1-CD1 3.44Å; V536-L548 HydrophobicContact CG1-CG 4.18Å; V538-L548 HydrophobicContact CG2-CD1 3.5Å; L548-P567 CarbonylContact O-C 3.6Å; L548-P567 WeakPolarHBondContact O-CA 3.17Å; L548-I568 HydrophobicContact CD2-CD1 4.1Å; L548-I568 HydrophobicContact CG-CD1 4.03Å; L548-I568 PolarHBondContact O-N 2.81Å; L548-Y569 PolarHBondContact N-O 2.82Å; L548-F571 HydrophobicContact CB-CE2 3.86Å; L548-F571 HydrophobicContact CB-CZ 4.26Å; L548-M583 HydrophobicContact CD1-CE 4.5Å; L548-V619 HydrophobicContact CD2-CG1 4.13Å
549	W	93.8	Very high	86.2	Confident	1 Å²	1	53.4 Å²	53.4	0%	0.004	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	133.8	-177.3	-47	83.6	0	0	0	109.9	L518 V536 L537 T539 K547 V565 P567	L518-W549 HydrophobicContact CB-CD2 4.23Å; L518-W549 HydrophobicContact CB-CE3 3.99Å; L518-W549 HydrophobicContact CB-CH2 3.73Å; L518-W549 HydrophobicContact CB-CZ2 4.04Å; L518-W549 HydrophobicContact CB-CZ3 3.74Å; L518-W549 HydrophobicContact CD1-CB 4.31Å; L518-W549 HydrophobicContact CD1-CD2 3.85Å; L518-W549 HydrophobicContact CD1-CE3 4.22Å; L518-W549 HydrophobicContact CD1-CG 3.9Å; L518-W549 HydrophobicContact CD2-CD2 4.46Å; L518-W549 HydrophobicContact CD2-CE3 4.02Å; L518-W549 HydrophobicContact CD2-CZ3 4.4Å; L518-W549 HydrophobicContact CG-CD2 4.4Å; L518-W549 HydrophobicContact CG-CE3 4.3Å; V536-W549 WeakPolarHBondContact CA-O 3.44Å; V536-W549 WeakPolarHBondContact CG1-O 3.32Å; L537-W549 HydrophobicContact CD1-CB 4.32Å; L537-W549 VanDerWaalsContact CD1-CD1 3.46Å; L537-W549 HydrophobicContact CD1-CG 4.08Å; L537-W549 HydrophobicContact CG-CB 4.16Å; L537-W549 HydrophobicContact CG-CG 4.45Å; L537-W549 PolarHBondContact N-O 3.05Å; L537-W549 PolarHBondContact O-N 3.33Å; T539-W549 PolarHBondContact OG1-NE1 3.42Å; K547-W549 HydrophobicContact CB-CZ2 3.82Å; K547-W549 HydrophobicContact CD-CH2 4.27Å; K547-W549 HydrophobicContact CD-CZ2 3.79Å; K547-W549 HydrophobicContact CG-CZ2 4.46Å; K547-W549 VanDerWaalsContact O-CD1 3.22Å; K547-W549 PolarHBondContact O-NE1 2.84Å; W549-V565 HydrophobicContact CE3-CG1 4.36Å; W549-V565 VanDerWaalsContact CZ3-O 3.27Å; W549-V565 WeakPolarHBondContact CZ3-O 3.5Å; W549-P567 HydrophobicContact CD2-CB 4.32Å; W549-P567 HydrophobicContact CE3-CB 4.06Å; W549-P567 HydrophobicContact CH2-CB 4.36Å; W549-P567 HydrophobicContact CZ3-CB 4.08Å; W549-P567 HydrophobicContact CZ3-CG 4.33Å
550	N	91.1	Very high	84.1	Confident	4 Å²	4	56.5 Å²	56.5	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	110.3	170.2	-174.5	-24.6	0	0	0	109.2	V536 N552 K553 I568	V536-N550 HydrophobicContact CG2-CB 4.02Å; N550-N552 PolarHBondContact O-N 2.77Å; N550-N552 VanDerWaalsContact O-N 3.15Å; N550-N552 VanDerWaalsContact OD1-CB 3.26Å; N550-N552 WeakPolarHBondContact OD1-CB 3.21Å; N550-N552 PolarHBondContact OD1-N 2.81Å; N550-K553 HydrophobicContact CB-CB 4.31Å; N550-K553 HydrophobicContact CB-CD 4.47Å; N550-K553 HydrophobicContact CB-CG 4.25Å; N550-K553 PolarHBondContact O-N 3.44Å; N550-I568 HydrophobicContact CB-CD1 3.26Å; N550-I568 HydrophobicContact CB-CG1 3.83Å
551	L	90.8	Very high	82	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-13	-176.3	-55.8	177.2	0	0	0	113	Y516 L518 F530 S535 L537 F856 V868	Y516-L551 HydrophobicContact CD2-CD2 4.07Å; Y516-L551 HydrophobicContact CE2-CB 4.17Å; Y516-L551 HydrophobicContact CE2-CD2 4.5Å; Y516-L551 PolarHBondContact OH-O 3.47Å; L518-L551 HydrophobicContact CD2-CD2 4.35Å; F530-L551 HydrophobicContact CE1-CD1 4.28Å; S535-L551 WeakPolarHBondContact O-CB 3.04Å; S535-L551 WeakPolarHBondContact O-CG 3.41Å; S535-L551 PolarHBondContact O-N 3.1Å; L537-L551 HydrophobicContact CD2-CD1 4.1Å; L537-L551 HydrophobicContact CD2-CD2 4.04Å; L537-L551 HydrophobicContact CD2-CG 4.28Å; L551-F856 HydrophobicContact CD1-CD1 4.29Å; L551-F856 HydrophobicContact CD1-CE1 4.28Å; L551-F856 HydrophobicContact CD1-CG 4.45Å; L551-F856 HydrophobicContact CD1-CZ 4.48Å; L551-V868 HydrophobicContact CD1-CG1 3.87Å; L551-V868 HydrophobicContact CD1-CG2 4.41Å; L551-V868 HydrophobicContact CD2-CG2 4.02Å
552	N	87.7	Confident	80.1	Confident	115 Å²	115	67 Å²	67	62%	0.615	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-21	173.1	-58.8	-40.2	0	0	0	112.5	N550 T554	N550-N552 PolarHBondContact O-N 2.77Å; N550-N552 VanDerWaalsContact O-N 3.15Å; N550-N552 VanDerWaalsContact OD1-CB 3.26Å; N550-N552 WeakPolarHBondContact OD1-CB 3.21Å; N550-N552 PolarHBondContact OD1-N 2.81Å; N552-T554 PolarHBondContact O-N 3.26Å
553	K	82.2	Confident	78.7	Confident	66 Å²	66	68.8 Å²	68.8	29%	0.287	35%	0.351	S	S	.	.			trans	-93	78.6	175.9	-68.6	-169.6	177.9	-168.7	0	109.7	N550 Q623 L624	N550-K553 HydrophobicContact CB-CB 4.31Å; N550-K553 HydrophobicContact CB-CD 4.47Å; N550-K553 HydrophobicContact CB-CG 4.25Å; N550-K553 PolarHBondContact O-N 3.44Å; K553-Q623 VanDerWaalsContact NZ-C 3.3Å; K553-Q623 PolarHBondContact NZ-O 3.22Å; K553-L624 PolarHBondContact NZ-O 2.92Å
554	T	79.4	Confident	77.7	Confident	49 Å²	49	70 Å²	70	30%	0.301	36%	0.357	S	S	.	.			trans	-91.9	139.9	175.8	59.4	0	0	0	0	111.5	Y516 N552 F563 D564 V565	Y516-T554 HydrophobicContact CD1-CG2 4.44Å; Y516-T554 HydrophobicContact CE1-CG2 3.58Å; N552-T554 PolarHBondContact O-N 3.26Å; T554-F563 HydrophobicContact CG2-CB 3.83Å; T554-F563 HydrophobicContact CG2-CD1 4.42Å; T554-F563 HydrophobicContact CG2-CG 4.25Å; T554-D564 CarbonylContact C-O 3.58Å; T554-D564 WeakPolarHBondContact CA-O 3.25Å; T554-V565 HydrophobicContact CG2-CG2 3.92Å
555	V	71.2	Confident	77.2	Confident	59 Å²	59	66.3 Å²	66.3	36%	0.358	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-96.5	122.4	172.2	-177	0	0	0	0	108.2	T557 D564 E566	V555-T557 PolarHBondContact O-N 3.23Å; V555-D564 PolarHBondContact N-O 2.6Å; V555-D564 PolarHBondContact O-N 2.91Å; V555-E566 HydrophobicContact CG2-CG 4.22Å
556	Q	63.4	Low	76.9	Confident	161 Å²	161	69.3 Å²	69.3	75%	0.752	35%	0.353	S	S	*	.			trans	-75.6	112.7	173.4	-69.4	-174.1	17.9	0	0	109.5	F563	Q556-F563 HydrophobicContact CG-CD1 4.47Å; Q556-F563 HydrophobicContact CG-CE1 4.2Å
557	T	58.7	Low	76.6	Confident	50 Å²	50	70.4 Å²	70.4	31%	0.307	36%	0.36	S	S	.	.			trans	-84.6	122.3	172.3	52.7	0	0	0	0	109.3	V555 K559 S560 D564	V555-T557 PolarHBondContact O-N 3.23Å; T557-K559 PolarHBondContact O-N 2.79Å; T557-S560 PolarHBondContact O-N 2.82Å; T557-S560 PolarHBondContact OG1-OG 3.09Å; T557-D564 HydrophobicContact CG2-CB 4.07Å
558	K	59.1	Low	76.3	Confident	222 Å²	222	70.3 Å²	70.3	97%	0.965	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-12.5	-177.6	-69.6	-175.6	178.9	178.4	0	115.1
559	K	61.4	Low	76.1	Confident	209 Å²	209	71.5 Å²	71.5	91%	0.909	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.5	-0.5	-170.9	-68.6	-174.6	176.6	-179.6	0	114.7	T557	T557-K559 PolarHBondContact O-N 2.79Å
560	S	54	Low	76	Confident	64 Å²	64	72.4 Å²	72.4	45%	0.448	37%	0.37	S	S	.	.			trans	-139.1	149.2	-178.6	95.8	0	0	0	0	112.8	T557 M562	T557-S560 PolarHBondContact O-N 2.82Å; T557-S560 PolarHBondContact OG1-OG 3.09Å; S560-M562 PolarHBondContact O-N 3.24Å; S560-M562 PolarHBondContact OG-N 2.86Å; S560-M562 PolarHBondContact OG-O 2.92Å; S560-M562 VanDerWaalsContact OG-O 3.08Å
561	S	55.2	Low	76.1	Confident	125 Å²	125	72.3 Å²	72.3	87%	0.874	37%	0.37	S	S	*	.	S	Bend	trans	-75.4	-4.8	172.3	54.8	0	0	0	0	113.2
562	M	57.9	Low	76.2	Confident	95 Å²	95	79.1 Å²	79.1	47%	0.468	40%	0.395	S	S	.	.	S	Bend	trans	-95.1	130.1	-178.5	-121.5	179	-78.3	0	0	109.8	S560 D564	S560-M562 PolarHBondContact O-N 3.24Å; S560-M562 PolarHBondContact OG-N 2.86Å; S560-M562 PolarHBondContact OG-O 2.92Å; S560-M562 VanDerWaalsContact OG-O 3.08Å; M562-D564 PolarHBondContact O-N 3.39Å
563	F	68.7	Low	76.3	Confident	95 Å²	95	74.6 Å²	74.6	42%	0.417	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-69.9	122.8	170.1	-68.1	-72.9	0	0	0	108.8	Y516 T554 Q556	Y516-F563 HydrophobicContact CD1-CB 4.21Å; Y516-F563 HydrophobicContact CE1-CB 3.93Å; T554-F563 HydrophobicContact CG2-CB 3.83Å; T554-F563 HydrophobicContact CG2-CD1 4.42Å; T554-F563 HydrophobicContact CG2-CG 4.25Å; Q556-F563 HydrophobicContact CG-CD1 4.47Å; Q556-F563 HydrophobicContact CG-CE1 4.2Å
564	D	76	Confident	76.9	Confident	52 Å²	52	71.9 Å²	71.9	28%	0.278	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-87.1	146.9	170.1	-145.8	-10.5	0	0	0	108.9	T554 V555 T557 M562	T554-D564 CarbonylContact C-O 3.58Å; T554-D564 WeakPolarHBondContact CA-O 3.25Å; V555-D564 PolarHBondContact N-O 2.6Å; V555-D564 PolarHBondContact O-N 2.91Å; T557-D564 HydrophobicContact CG2-CB 4.07Å; M562-D564 PolarHBondContact O-N 3.39Å
565	V	88.5	Confident	77.7	Confident	2 Å²	2	75.9 Å²	75.9	1%	0.012	38%	0.384	C	S	.	.			trans	-126.1	112.1	177.5	179.3	0	0	0	0	106.3	Y516 L518 W549 T554	Y516-V565 HydrophobicContact CD1-CG2 3.74Å; Y516-V565 HydrophobicContact CE1-CG2 4.14Å; Y516-V565 HydrophobicContact CG-CG2 4.25Å; L518-V565 HydrophobicContact CD2-CB 3.67Å; L518-V565 HydrophobicContact CD2-CG1 4.08Å; L518-V565 HydrophobicContact CD2-CG2 4.26Å; W549-V565 HydrophobicContact CE3-CG1 4.36Å; W549-V565 VanDerWaalsContact CZ3-O 3.27Å; W549-V565 WeakPolarHBondContact CZ3-O 3.5Å; T554-V565 HydrophobicContact CG2-CG2 3.92Å
566	E	88.4	Confident	78.9	Confident	80 Å²	80	74.5 Å²	74.5	37%	0.374	38%	0.377	S	S	.	.			trans	-80.9	147.5	174.6	-68.9	-178.1	-178.7	0	0	109.8	V555 I568	V555-E566 HydrophobicContact CG2-CG 4.22Å; E566-I568 PolarHBondContact O-N 2.74Å
567	P	91.6	Very high	80.6	Confident	22 Å²	22	68.1 Å²	68.1	14%	0.143	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	132.3	173.1	30.4	-35.2	0	0	0	109.2	K547 L548 W549 Y569	K547-P567 HydrophobicContact CB-CB 4.08Å; K547-P567 HydrophobicContact CD-CB 4.32Å; K547-P567 HydrophobicContact CD-CG 4.45Å; K547-P567 HydrophobicContact CG-CB 4.33Å; L548-P567 CarbonylContact O-C 3.6Å; L548-P567 WeakPolarHBondContact O-CA 3.17Å; W549-P567 HydrophobicContact CD2-CB 4.32Å; W549-P567 HydrophobicContact CE3-CB 4.06Å; W549-P567 HydrophobicContact CH2-CB 4.36Å; W549-P567 HydrophobicContact CZ3-CB 4.08Å; W549-P567 HydrophobicContact CZ3-CG 4.33Å; P567-Y569 VanDerWaalsContact C-N 3.3Å
568	I	89.2	Confident	82.5	Confident	3 Å²	3	65.7 Å²	65.7	2%	0.015	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	-31.6	176.6	-31.6	165.5	0	0	0	110.7	L548 N550 E566 L624	L548-I568 HydrophobicContact CD2-CD1 4.1Å; L548-I568 HydrophobicContact CG-CD1 4.03Å; L548-I568 PolarHBondContact O-N 2.81Å; N550-I568 HydrophobicContact CB-CD1 3.26Å; N550-I568 HydrophobicContact CB-CG1 3.83Å; E566-I568 PolarHBondContact O-N 2.74Å; I568-L624 HydrophobicContact CG2-CB 3.68Å; I568-L624 WeakPolarHBondContact CG2-O 2.94Å
569	Y	89.9	Confident	84.3	Confident	27 Å²	27	55.8 Å²	55.8	11%	0.106	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	142	-178.6	-165.8	-97.7	0	0	0	109.8	K547 L548 P567 F571 L624 F630	K547-Y569 WeakPolarHBondContact CA-O 3.23Å; L548-Y569 PolarHBondContact N-O 2.82Å; P567-Y569 VanDerWaalsContact C-N 3.3Å; Y569-F571 AromaticContact CD1-CD1 3.49Å; Y569-F571 HydrophobicContact CD1-CD1 3.49Å; Y569-F571 VanDerWaalsContact CD1-CD1 3.49Å; Y569-F571 AromaticContact CD1-CD2 3.93Å; Y569-F571 HydrophobicContact CD1-CD2 3.93Å; Y569-F571 AromaticContact CD1-CE1 3.45Å; Y569-F571 HydrophobicContact CD1-CE1 3.45Å; Y569-F571 VanDerWaalsContact CD1-CE1 3.45Å; Y569-F571 AromaticContact CD1-CE2 3.95Å; Y569-F571 HydrophobicContact CD1-CE2 3.95Å; Y569-F571 AromaticContact CD1-CG 3.72Å; Y569-F571 HydrophobicContact CD1-CG 3.72Å; Y569-F571 AromaticContact CD1-CZ 3.69Å; Y569-F571 HydrophobicContact CD1-CZ 3.69Å; Y569-F571 HydrophobicContact CE1-CB 4.3Å; Y569-F571 AromaticContact CE1-CD1 3.33Å; Y569-F571 HydrophobicContact CE1-CD1 3.33Å; Y569-F571 HydrophobicContact CE1-CD2 4.48Å; Y569-F571 AromaticContact CE1-CE1 3.62Å; Y569-F571 HydrophobicContact CE1-CE1 3.62Å; Y569-F571 AromaticContact CE1-CG 3.8Å; Y569-F571 HydrophobicContact CE1-CG 3.8Å; Y569-F571 HydrophobicContact CE1-CZ 4.33Å; Y569-L624 HydrophobicContact CD2-CD1 4.42Å; Y569-F630 WeakPolarHBondContact OH-CD2 3.25Å; Y569-F630 WeakPolarHBondContact OH-CE2 3.48Å
570	T	92.6	Very high	86	Confident	21 Å²	21	45.8 Å²	45.8	13%	0.129	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	109.6	171.6	-60.9	0	0	0	0	108.4	T545 L546 K547 R572	T545-T570 HydrophobicContact CG2-CG2 4.1Å; L546-T570 CarbonylContact O-C 3.53Å; L546-T570 WeakPolarHBondContact O-CA 3.34Å; K547-T570 HydrophobicContact CG-CG2 4.18Å; K547-T570 PolarHBondContact NZ-OG1 3.34Å; T570-R572 HydrophobicContact CG2-CG 4.23Å; T570-R572 PolarHBondContact O-N 2.81Å
571	F	93	Very high	88.1	Confident	1 Å²	1	43 Å²	43	0%	0.004	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	122	177.4	-53.2	-90.3	0	0	0	109.4	T545 L546 L548 Y569 I605 W617 V619	T545-F571 WeakPolarHBondContact CA-O 3.48Å; T545-F571 WeakPolarHBondContact CB-O 3.32Å; L546-F571 HydrophobicContact CB-CB 4.05Å; L546-F571 HydrophobicContact CB-CD2 3.69Å; L546-F571 HydrophobicContact CB-CG 4.26Å; L546-F571 HydrophobicContact CD1-CB 4.32Å; L546-F571 PolarHBondContact N-O 2.84Å; L546-F571 PolarHBondContact O-N 3.49Å; L548-F571 HydrophobicContact CB-CE2 3.86Å; L548-F571 HydrophobicContact CB-CZ 4.26Å; Y569-F571 AromaticContact CD1-CD1 3.49Å; Y569-F571 HydrophobicContact CD1-CD1 3.49Å; Y569-F571 VanDerWaalsContact CD1-CD1 3.49Å; Y569-F571 AromaticContact CD1-CD2 3.93Å; Y569-F571 HydrophobicContact CD1-CD2 3.93Å; Y569-F571 AromaticContact CD1-CE1 3.45Å; Y569-F571 HydrophobicContact CD1-CE1 3.45Å; Y569-F571 VanDerWaalsContact CD1-CE1 3.45Å; Y569-F571 AromaticContact CD1-CE2 3.95Å; Y569-F571 HydrophobicContact CD1-CE2 3.95Å; Y569-F571 AromaticContact CD1-CG 3.72Å; Y569-F571 HydrophobicContact CD1-CG 3.72Å; Y569-F571 AromaticContact CD1-CZ 3.69Å; Y569-F571 HydrophobicContact CD1-CZ 3.69Å; Y569-F571 HydrophobicContact CE1-CB 4.3Å; Y569-F571 AromaticContact CE1-CD1 3.33Å; Y569-F571 HydrophobicContact CE1-CD1 3.33Å; Y569-F571 HydrophobicContact CE1-CD2 4.48Å; Y569-F571 AromaticContact CE1-CE1 3.62Å; Y569-F571 HydrophobicContact CE1-CE1 3.62Å; Y569-F571 AromaticContact CE1-CG 3.8Å; Y569-F571 HydrophobicContact CE1-CG 3.8Å; Y569-F571 HydrophobicContact CE1-CZ 4.33Å; F571-I605 HydrophobicContact CE1-CD1 4.23Å; F571-I605 HydrophobicContact CE2-CD1 4.01Å; F571-I605 HydrophobicContact CZ-CD1 3.53Å; F571-W617 HydrophobicContact CB-CD2 4.15Å; F571-W617 HydrophobicContact CB-CE3 4.01Å; F571-W617 HydrophobicContact CB-CH2 4.17Å; F571-W617 HydrophobicContact CB-CZ2 4.33Å; F571-W617 HydrophobicContact CB-CZ3 4Å; F571-W617 HydrophobicContact CD1-CB 3.94Å; F571-W617 AromaticContact CD1-CD2 3.8Å; F571-W617 HydrophobicContact CD1-CD2 3.8Å; F571-W617 AromaticContact CD1-CE3 3.7Å; F571-W617 HydrophobicContact CD1-CE3 3.7Å; F571-W617 AromaticContact CD1-CG 3.91Å; F571-W617 HydrophobicContact CD1-CG 3.91Å; F571-W617 HydrophobicContact CD1-CZ3 4.45Å; F571-W617 HydrophobicContact CE1-CB 3.92Å; F571-W617 HydrophobicContact CE1-CG 4.35Å; F571-W617 HydrophobicContact CG-CD2 4.26Å; F571-W617 HydrophobicContact CG-CE3 4.28Å; F571-V619 HydrophobicContact CE1-CG2 3.73Å; F571-V619 HydrophobicContact CZ-CG2 3.65Å
572	R	92.6	Very high	90	Very high	143 Å²	143	37.2 Å²	37.2	54%	0.54	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	129.7	178	-65.9	-177.1	173.5	84.1	-3.1	108.6	T545 T570	T545-R572 HydrophobicContact CG2-CG 4.16Å; T570-R572 HydrophobicContact CG2-CG 4.23Å; T570-R572 PolarHBondContact O-N 2.81Å
573	G	90.2	Very high	91.7	Very high	20 Å²	20	33.2 Å²	33.2	21%	0.206	17%	0.169	C	C	.	.			trans	164	-17.2	179	0	0	0	0	0	114.4	R615	G573-R615 PolarHBondContact O-NE 3.3Å; G573-R615 PolarHBondContact O-NH2 3.29Å
574	H	94.9	Very high	92.5	Very high	10 Å²	10	29.5 Å²	29.5	5%	0.046	15%	0.154	C	C	.	.			trans	-74	145.4	164.8	-73.6	-77.5	0	0	0	110.6	V578 S607 D609 W617	H574-V578 HydrophobicContact CB-CG2 3.85Å; H574-S607 PolarHBondContact NE2-OG 3.17Å; H574-D609 IonicContact CE1-OD2 3.86Å; H574-D609 IonicContact CG-OD2 3.59Å; H574-D609 WeakPolarHBondContact ND1-CB 3.19Å; H574-D609 IonicContact ND1-OD2 2.84Å; H574-D609 PolarHBondContact ND1-OD2 3.45Å; H574-W617 AromaticContact CD2-CZ2 3.78Å; H574-W617 AromaticContact NE2-CZ2 3.88Å
575	N	94.7	Very high	92.4	Very high	133 Å²	133	29.8 Å²	29.8	71%	0.711	16%	0.158	S	C	*	.	S	Bend	trans	-106.1	7.9	176.7	-64.6	-18.2	0	0	0	111.4
576	S	97	Very high	91.3	Very high	29 Å²	29	30.7 Å²	30.7	20%	0.203	17%	0.165	C	C	.	.	S	Bend	trans	-150	163.2	-173.8	-63.5	0	0	0	0	109.8	V578	S576-V578 PolarHBondContact O-N 3.03Å
577	P	98.3	Very high	89.9	Confident	27 Å²	27	33.4 Å²	33.4	18%	0.175	18%	0.181	C	C	.	.			trans	-50.5	130.2	177.8	-33.6	40	0	0	0	112.7	E542 H544 L579 D609 L610	E542-P577 HydrophobicContact CB-CB 4.23Å; E542-P577 HydrophobicContact CG-CB 4.21Å; H544-P577 VanDerWaalsContact CD2-N 3.27Å; P577-L579 HydrophobicContact CB-CD2 4.27Å; P577-D609 CarbonylContact O-C 3.54Å; P577-D609 WeakPolarHBondContact O-CA 3.24Å; P577-D609 VanDerWaalsContact O-CB 3.24Å; P577-D609 WeakPolarHBondContact O-CB 3.47Å; P577-L610 HydrophobicContact CB-CB 4.26Å; P577-L610 HydrophobicContact CG-CB 4.49Å; P577-L610 HydrophobicContact CG-CD2 4.1Å; P577-L610 PolarHBondContact O-N 3.36Å
578	V	98.4	Very high	87.9	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	120	178	-169.9	0	0	0	0	108.4	R526 C540 S541 L546 H574 S576 G608	R526-V578 WeakPolarHBondContact CB-O 3.42Å; R526-V578 WeakPolarHBondContact CG-O 3.5Å; C540-V578 HydrophobicContact CB-CB 3.94Å; C540-V578 HydrophobicContact CB-CG1 3.57Å; S541-V578 PolarHBondContact O-N 2.84Å; L546-V578 HydrophobicContact CD1-CG1 4.08Å; L546-V578 HydrophobicContact CD1-CG2 4.06Å; L546-V578 HydrophobicContact CD2-CG1 4.34Å; L546-V578 HydrophobicContact CG-CG1 4.19Å; H574-V578 HydrophobicContact CB-CG2 3.85Å; S576-V578 PolarHBondContact O-N 3.03Å; V578-G608 WeakPolarHBondContact CG1-O 3.49Å
579	L	98.1	Very high	85.7	Confident	13 Å²	13	46 Å²	46	7%	0.068	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-26.8	-168.2	-58.5	-178.2	0	0	0	113.3	R526 P577 G608 L610 A645 V646 W647	R526-L579 HydrophobicContact CG-CD2 4Å; P577-L579 HydrophobicContact CB-CD2 4.27Å; L579-G608 PolarHBondContact N-O 2.86Å; L579-L610 HydrophobicContact CD1-CB 4.21Å; L579-L610 HydrophobicContact CD1-CD1 4.08Å; L579-A645 HydrophobicContact CD1-CB 3.8Å; L579-V646 WeakPolarHBondContact CB-O 3.49Å; L579-W647 HydrophobicContact CD1-CE3 4.14Å; L579-W647 HydrophobicContact CD1-CH2 4.44Å; L579-W647 HydrophobicContact CD1-CZ3 4.08Å
580	S	97.8	Very high	83.5	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	150.3	-175.7	53.5	0	0	0	0	112.2	S607 G608 V646 L649	S580-S607 WeakPolarHBondContact O-CA 3.25Å; S580-G608 PolarHBondContact N-O 3.33Å; S580-G608 PolarHBondContact O-N 3.18Å; S580-V646 PolarHBondContact OG-O 2.99Å; S580-L649 WeakPolarHBondContact OG-CG 3.34Å
581	V	97.5	Very high	81	Confident	5 Å²	5	53.6 Å²	53.6	3%	0.03	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	138.9	178.3	66.6	0	0	0	0	111.8	D527 C529 V538 C540 L546 I605 Y606	D527-V581 HydrophobicContact CB-CG1 4.05Å; D527-V581 PolarHBondContact OD2-N 3.31Å; C529-V581 HydrophobicContact CB-CG1 3.9Å; V538-V581 HydrophobicContact CB-CG2 4.46Å; V538-V581 HydrophobicContact CG1-CG2 3.95Å; C540-V581 HydrophobicContact CB-CB 4.33Å; L546-V581 HydrophobicContact CD2-CB 4.25Å; L546-V581 HydrophobicContact CD2-CG2 3.73Å; V581-I605 HydrophobicContact CG2-CG2 3.74Å; V581-Y606 CarbonylContact C-O 3.52Å; V581-Y606 WeakPolarHBondContact CA-O 3.26Å; V581-Y606 WeakPolarHBondContact CG2-O 3.47Å
582	A	95.7	Very high	78.4	Confident	4 Å²	4	60.8 Å²	60.8	3%	0.033	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	148.5	173	0	0	0	0	0	110.9	I605 Y606 L649 L657	A582-I605 CarbonylContact O-C 3.53Å; A582-I605 WeakPolarHBondContact O-CA 3.2Å; A582-Y606 PolarHBondContact N-O 3.41Å; A582-Y606 PolarHBondContact O-N 3.49Å; A582-L649 HydrophobicContact CB-CB 3.85Å; A582-L657 HydrophobicContact CB-CD1 4.02Å
583	M	92.7	Very high	75.9	Confident	11 Å²	11	59.4 Å²	59.4	5%	0.054	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	132.9	180	-173.2	179.4	-90.9	0	0	111	H531 V538 L548 I603 I605 S651	H531-M583 HydrophobicContact CB-SD 3.97Å; H531-M583 VanDerWaalsContact CD2-SD 3.56Å; V538-M583 HydrophobicContact CG2-CE 3.58Å; L548-M583 HydrophobicContact CD1-CE 4.5Å; M583-I603 HydrophobicContact CE-CG2 3.76Å; M583-I603 HydrophobicContact CG-CG2 3.49Å; M583-I603 VanDerWaalsContact CG-CG2 3.49Å; M583-I603 HydrophobicContact SD-CG2 3.67Å; M583-I605 HydrophobicContact CE-CD1 3.91Å; M583-I605 HydrophobicContact CE-CG1 3.68Å; M583-I605 HydrophobicContact CG-CG1 4.35Å; M583-S651 PolarHBondContact O-OG 3.04Å
584	V	85.7	Confident	73.7	Confident	16 Å²	16	61.2 Å²	61.2	10%	0.097	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	116.2	177.7	-174.9	0	0	0	0	109.3	Y604 Y606 L671	V584-Y604 PolarHBondContact N-O 2.8Å; V584-Y604 PolarHBondContact O-N 2.96Å; V584-Y606 HydrophobicContact CB-CE2 4.14Å; V584-Y606 HydrophobicContact CG2-CD2 4.17Å; V584-Y606 HydrophobicContact CG2-CE2 3.82Å; V584-L671 HydrophobicContact CG2-CD1 3.93Å
585	P	72.6	Confident	71	Confident	58 Å²	58	70.4 Å²	70.4	38%	0.377	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	138.8	171.4	30.4	-32.7	0	0	0	109.5	P532 L587	P532-P585 HydrophobicContact CB-CG 4.44Å; P532-P585 HydrophobicContact CG-CB 3.97Å; P532-P585 HydrophobicContact CG-CG 3.56Å; P585-L587 PolarHBondContact O-N 2.9Å
586	S	67	Low	68.4	Low	21 Å²	21	68.5 Å²	68.5	15%	0.147	38%	0.382	C	S	.	.			trans	-63.6	127.6	174.6	177.5	0	0	0	0	111.1	L588 P602	S586-L588 VanDerWaalsContact C-N 3.32Å; S586-L588 PolarHBondContact OG-N 2.75Å; S586-P602 WeakPolarHBondContact CB-O 2.99Å; S586-P602 PolarHBondContact N-O 3.33Å
587	L	57.6	Low	65.5	Low	138 Å²	138	70.3 Å²	70.3	72%	0.723	41%	0.406	S	S	*	.			trans	-76.6	-19.9	171.2	-72.4	171.7	0	0	0	112.9	P585 K589 Y653	P585-L587 PolarHBondContact O-N 2.9Å; L587-K589 PolarHBondContact O-N 3.42Å; L587-Y653 VanDerWaalsContact CD1-O 3.29Å; L587-Y653 WeakPolarHBondContact CD1-O 3.45Å
588	L	50.3	Low	62.7	Low	106 Å²	106	77.2 Å²	77.2	56%	0.555	44%	0.44	S	S	*	.			trans	-69.6	103.8	-177	-80.4	149.2	0	0	0	108.9	S586 V590 P673	S586-L588 VanDerWaalsContact C-N 3.32Å; S586-L588 PolarHBondContact OG-N 2.75Å; L588-V590 PolarHBondContact O-N 3.23Å; L588-V590 VanDerWaalsContact O-N 3.1Å; L588-P673 HydrophobicContact CD1-CG 4.33Å
589	K	43.2	Very low	59.7	Low	183 Å²	183	83.4 Å²	83.4	80%	0.796	47%	0.47	S	S	*	.			trans	-64.9	105.2	155.3	-69.2	-178.4	-179	176.5	0	105.7	L587 D591	L587-K589 PolarHBondContact O-N 3.42Å; K589-D591 PolarHBondContact O-N 3.38Å; K589-D591 VanDerWaalsContact O-N 3.1Å
590	V	44.2	Very low	57.5	Low	74 Å²	74	87 Å²	87	45%	0.448	49%	0.489	S	S	.	.			trans	-60.7	116.3	166.4	179.5	0	0	0	0	105.7	L588 N592 M599	L588-V590 PolarHBondContact O-N 3.23Å; L588-V590 VanDerWaalsContact O-N 3.1Å; V590-N592 PolarHBondContact O-N 3.24Å; V590-N592 VanDerWaalsContact O-N 3.17Å; V590-M599 HydrophobicContact CG2-CE 4.15Å
591	D	40	Very low	55.8	Low	133 Å²	133	89.7 Å²	89.7	71%	0.711	51%	0.508	S	S	*	.			trans	-52.8	125.6	175.6	-68.7	-36.6	0	0	0	108.3	K589 S593	K589-D591 PolarHBondContact O-N 3.38Å; K589-D591 VanDerWaalsContact O-N 3.1Å; D591-S593 PolarHBondContact O-N 2.88Å; D591-S593 PolarHBondContact O-OG 3.33Å
592	N	38.3	Very low	54.7	Low	152 Å²	152	90.5 Å²	90.5	81%	0.813	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	34.1	-169.9	-70.6	-41.1	0	0	0	115.1	V590 C594	V590-N592 PolarHBondContact O-N 3.24Å; V590-N592 VanDerWaalsContact O-N 3.17Å; N592-C594 PolarHBondContact O-N 2.92Å
593	S	40.2	Very low	54.2	Low	114 Å²	114	90.6 Å²	90.6	80%	0.797	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-18.1	174.3	64.3	0	0	0	0	112.9	D591 Q595	D591-S593 PolarHBondContact O-N 2.88Å; D591-S593 PolarHBondContact O-OG 3.33Å; S593-Q595 PolarHBondContact O-N 3.19Å
594	C	43.6	Very low	54	Low	58 Å²	58	93.4 Å²	93.4	39%	0.392	52%	0.524	S	S	.	.	S	Bend	trans	-79.6	103.6	164.2	44.1	0	0	0	0	109.5	N592 S596	N592-C594 PolarHBondContact O-N 2.92Å; C594-S596 PolarHBondContact O-N 2.7Å
595	Q	39	Very low	54.4	Low	203 Å²	203	92.7 Å²	92.7	95%	0.949	52%	0.52	S	S	*	.			trans	-66.3	33.2	169.1	-75.5	178.1	-11.4	0	0	113.4	S593	S593-Q595 PolarHBondContact O-N 3.19Å
596	S	38.3	Very low	55.4	Low	93 Å²	93	90.5 Å²	90.5	65%	0.65	50%	0.504	S	S	*	.			trans	-106.5	90.1	164.3	-154.4	0	0	0	0	106.5	C594 L598	C594-S596 PolarHBondContact O-N 2.7Å; S596-L598 PolarHBondContact O-N 3.43Å
597	G	38.1	Very low	56.9	Low	68 Å²	68	89.5 Å²	89.5	70%	0.701	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	135.9	177.6	0	0	0	0	0	109.9
598	L	37.6	Very low	58.7	Low	172 Å²	172	83 Å²	83	90%	0.901	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.6	28.8	175.9	-45.6	174.7	0	0	0	117.5	S596 L600	S596-L598 PolarHBondContact O-N 3.43Å; L598-L600 PolarHBondContact O-N 3.4Å; L598-L600 VanDerWaalsContact O-N 3.15Å
599	M	37.4	Very low	61	Low	129 Å²	129	78 Å²	78	64%	0.635	44%	0.437	S	S	*	.			trans	-75.8	102.3	163.4	-142.2	-169.8	81.5	0	0	109.6	V590	V590-M599 HydrophobicContact CG2-CE 4.15Å
600	L	51.1	Low	63.6	Low	88 Å²	88	73.2 Å²	73.2	46%	0.461	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-62.6	145.2	170.6	-81.5	135.6	0	0	0	109.9	L598	L598-L600 PolarHBondContact O-N 3.4Å; L598-L600 VanDerWaalsContact O-N 3.15Å
601	S	61.3	Low	66.1	Low	57 Å²	57	72.8 Å²	72.8	40%	0.399	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-59.3	136	174.6	-40.6	0	0	0	0	109.7
602	P	74.9	Confident	68.7	Low	22 Å²	22	66.6 Å²	66.6	14%	0.143	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-63	147.8	177.4	26.7	-33.6	0	0	0	110.7	S586 Y604 V619	S586-P602 WeakPolarHBondContact CB-O 2.99Å; S586-P602 PolarHBondContact N-O 3.33Å; P602-Y604 HydrophobicContact CG-CE2 4.37Å; P602-V619 WeakPolarHBondContact CA-O 3.47Å
603	I	84.8	Confident	71.4	Confident	6 Å²	6	60.4 Å²	60.4	3%	0.031	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	134.2	175.1	-62.8	159	0	0	0	108.3	H531 M583 I605 C618 V619 L622	H531-I603 WeakPolarHBondContact CD2-CD1 3.4Å; H531-I603 VanDerWaalsContact NE2-CD1 3.32Å; H531-I603 WeakPolarHBondContact NE2-CD1 3.41Å; M583-I603 HydrophobicContact CE-CG2 3.76Å; M583-I603 HydrophobicContact CG-CG2 3.49Å; M583-I603 VanDerWaalsContact CG-CG2 3.49Å; M583-I603 HydrophobicContact SD-CG2 3.67Å; I603-I605 HydrophobicContact CG2-CG1 4.31Å; I603-C618 CarbonylContact O-C 3.58Å; I603-C618 WeakPolarHBondContact O-CA 3.33Å; I603-V619 PolarHBondContact N-O 2.93Å; I603-V619 PolarHBondContact O-N 2.99Å; I603-L622 HydrophobicContact CD1-CD1 3.61Å; I603-L622 HydrophobicContact CD1-CD2 3.57Å; I603-L622 HydrophobicContact CD1-CG 3.82Å
604	Y	89	Confident	74	Confident	71 Å²	71	55 Å²	55	28%	0.278	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	128.7	172.1	-64.1	-80.3	0	0	0	109.9	V584 P602 W617 C618	V584-Y604 PolarHBondContact N-O 2.8Å; V584-Y604 PolarHBondContact O-N 2.96Å; P602-Y604 HydrophobicContact CG-CE2 4.37Å; Y604-W617 CarbonylContact C-O 3.54Å; Y604-W617 VanDerWaalsContact CA-O 3.29Å; Y604-W617 WeakPolarHBondContact CA-O 3.33Å; Y604-C618 HydrophobicContact CD1-CB 4.03Å; Y604-C618 HydrophobicContact CE1-CB 3.8Å
605	I	93.1	Very high	76.4	Confident	1 Å²	1	54 Å²	54	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	139.2	173.8	-58.9	159	0	0	0	106.9	V538 F571 V581 A582 M583 I603 S616 W617 V619	V538-I605 HydrophobicContact CG1-CG2 4.44Å; V538-I605 HydrophobicContact CG2-CD1 3.76Å; V538-I605 HydrophobicContact CG2-CG1 4.34Å; F571-I605 HydrophobicContact CE1-CD1 4.23Å; F571-I605 HydrophobicContact CE2-CD1 4.01Å; F571-I605 HydrophobicContact CZ-CD1 3.53Å; V581-I605 HydrophobicContact CG2-CG2 3.74Å; A582-I605 CarbonylContact O-C 3.53Å; A582-I605 WeakPolarHBondContact O-CA 3.2Å; M583-I605 HydrophobicContact CE-CD1 3.91Å; M583-I605 HydrophobicContact CE-CG1 3.68Å; M583-I605 HydrophobicContact CG-CG1 4.35Å; I603-I605 HydrophobicContact CG2-CG1 4.31Å; I605-S616 CarbonylContact O-C 3.52Å; I605-S616 WeakPolarHBondContact O-CA 3.5Å; I605-W617 HydrophobicContact CB-CB 4.2Å; I605-W617 PolarHBondContact N-O 2.94Å; I605-W617 PolarHBondContact O-N 3.37Å; I605-V619 HydrophobicContact CD1-CG2 3.85Å
606	Y	94.9	Very high	78.9	Confident	12 Å²	12	44.6 Å²	44.6	5%	0.047	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	138.9	175.3	-58.9	-87.7	0	0	0	108.6	V581 A582 V584 R615 F639 L657 L671	V581-Y606 CarbonylContact C-O 3.52Å; V581-Y606 WeakPolarHBondContact CA-O 3.26Å; V581-Y606 WeakPolarHBondContact CG2-O 3.47Å; A582-Y606 PolarHBondContact N-O 3.41Å; A582-Y606 PolarHBondContact O-N 3.49Å; V584-Y606 HydrophobicContact CB-CE2 4.14Å; V584-Y606 HydrophobicContact CG2-CD2 4.17Å; V584-Y606 HydrophobicContact CG2-CE2 3.82Å; Y606-R615 CarbonylContact C-O 3.52Å; Y606-R615 VanDerWaalsContact CA-O 3.28Å; Y606-R615 WeakPolarHBondContact CA-O 3.29Å; Y606-F639 HydrophobicContact CD1-CE2 4.15Å; Y606-F639 HydrophobicContact CD1-CZ 4.34Å; Y606-F639 AromaticContact CE1-CE2 3.93Å; Y606-F639 HydrophobicContact CE1-CE2 3.93Å; Y606-F639 AromaticContact CE1-CZ 3.81Å; Y606-F639 HydrophobicContact CE1-CZ 3.81Å; Y606-L657 HydrophobicContact CD1-CD2 3.83Å; Y606-L657 HydrophobicContact CD2-CD2 4.35Å; Y606-L657 HydrophobicContact CE1-CD2 4.47Å; Y606-L657 HydrophobicContact CG-CD2 3.77Å; Y606-L671 HydrophobicContact CD1-CD2 4.44Å; Y606-L671 HydrophobicContact CD2-CD1 4.5Å; Y606-L671 HydrophobicContact CE1-CD2 3.64Å; Y606-L671 HydrophobicContact CE2-CD1 3.64Å; Y606-L671 HydrophobicContact CE2-CD2 4.29Å
607	S	97.2	Very high	81.4	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	138.1	-178.3	56.5	0	0	0	0	111.4	L546 H574 S580 I614 R615 W617	L546-S607 VanDerWaalsContact CD2-CB 3.47Å; H574-S607 PolarHBondContact NE2-OG 3.17Å; S580-S607 WeakPolarHBondContact O-CA 3.25Å; S607-I614 CarbonylContact O-C 3.49Å; S607-I614 VanDerWaalsContact O-CA 3.26Å; S607-I614 WeakPolarHBondContact O-CA 3.47Å; S607-R615 PolarHBondContact N-O 3.46Å; S607-R615 PolarHBondContact O-N 2.94Å; S607-W617 PolarHBondContact OG-NE1 3.28Å
608	G	97.3	Very high	83.7	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	135.7	-179	0	0	0	0	0	110.4	V578 L579 S580 L649	V578-G608 WeakPolarHBondContact CG1-O 3.49Å; L579-G608 PolarHBondContact N-O 2.86Å; S580-G608 PolarHBondContact N-O 3.33Å; S580-G608 PolarHBondContact O-N 3.18Å; G608-L649 VanDerWaalsContact N-CD1 3.3Å
609	D	97.4	Very high	86	Confident	3 Å²	3	30.3 Å²	30.3	2%	0.016	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	175	179.8	70.1	26.3	0	0	0	114	H574 P577 S611 G612 C613 V646	H574-D609 IonicContact CE1-OD2 3.86Å; H574-D609 IonicContact CG-OD2 3.59Å; H574-D609 WeakPolarHBondContact ND1-CB 3.19Å; H574-D609 IonicContact ND1-OD2 2.84Å; H574-D609 PolarHBondContact ND1-OD2 3.45Å; P577-D609 CarbonylContact O-C 3.54Å; P577-D609 WeakPolarHBondContact O-CA 3.24Å; P577-D609 VanDerWaalsContact O-CB 3.24Å; P577-D609 WeakPolarHBondContact O-CB 3.47Å; D609-S611 VanDerWaalsContact CG-OG 3.29Å; D609-S611 PolarHBondContact O-N 3.46Å; D609-S611 WeakPolarHBondContact OD1-CA 3.37Å; D609-S611 WeakPolarHBondContact OD1-CB 3.39Å; D609-S611 PolarHBondContact OD1-N 3.02Å; D609-S611 PolarHBondContact OD1-OG 3.01Å; D609-S611 PolarHBondContact OD2-OG 2.98Å; D609-G612 PolarHBondContact O-N 3.26Å; D609-G612 PolarHBondContact OD1-N 2.88Å; D609-C613 PolarHBondContact N-O 3.03Å; D609-C613 WeakPolarHBondContact OD1-CB 3.49Å; D609-C613 PolarHBondContact OD1-N 3.36Å; D609-C613 WeakPolarHBondContact OD2-CB 3.43Å; D609-V646 PolarHBondContact O-N 2.8Å
610	L	97.8	Very high	87.7	Confident	81 Å²	81	27.3 Å²	27.3	42%	0.424	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-24.5	176.9	-176.4	67.4	0	0	0	113.3	P577 L579 G612 A645	P577-L610 HydrophobicContact CB-CB 4.26Å; P577-L610 HydrophobicContact CG-CB 4.49Å; P577-L610 HydrophobicContact CG-CD2 4.1Å; P577-L610 PolarHBondContact O-N 3.36Å; L579-L610 HydrophobicContact CD1-CB 4.21Å; L579-L610 HydrophobicContact CD1-CD1 4.08Å; L610-G612 VanDerWaalsContact C-N 3.31Å; L610-A645 HydrophobicContact CD1-CB 3.84Å; L610-A645 VanDerWaalsContact O-CA 3.29Å; L610-A645 WeakPolarHBondContact O-CA 3.35Å; L610-A645 PolarHBondContact O-N 2.87Å
611	S	96.3	Very high	88.6	Confident	65 Å²	65	26.4 Å²	26.4	46%	0.455	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-3.5	-178.6	74.7	0	0	0	0	113.9	D609	D609-S611 VanDerWaalsContact CG-OG 3.29Å; D609-S611 PolarHBondContact O-N 3.46Å; D609-S611 WeakPolarHBondContact OD1-CA 3.37Å; D609-S611 WeakPolarHBondContact OD1-CB 3.39Å; D609-S611 PolarHBondContact OD1-N 3.02Å; D609-S611 PolarHBondContact OD1-OG 3.01Å; D609-S611 PolarHBondContact OD2-OG 2.98Å
612	G	95	Very high	89.3	Confident	3 Å²	3	24 Å²	24	3%	0.031	14%	0.135	C	C	.	.	S	Bend	trans	88.1	4.5	-172.9	0	0	0	0	0	114.2	D609 L610 H642 D644	D609-G612 PolarHBondContact O-N 3.26Å; D609-G612 PolarHBondContact OD1-N 2.88Å; L610-G612 VanDerWaalsContact C-N 3.31Å; G612-H642 WeakPolarHBondContact O-CB 3.47Å; G612-D644 WeakPolarHBondContact CA-O 3.36Å; G612-D644 PolarHBondContact N-O 2.93Å
613	C	94.8	Very high	89.2	Confident	23 Å²	23	28.5 Å²	28.5	16%	0.155	15%	0.154	C	C	.	.			trans	-85	123.2	-179	179.6	0	0	0	0	110.4	D609 I638	D609-C613 PolarHBondContact N-O 3.03Å; D609-C613 WeakPolarHBondContact OD1-CB 3.49Å; D609-C613 PolarHBondContact OD1-N 3.36Å; D609-C613 WeakPolarHBondContact OD2-CB 3.43Å; C613-I638 WeakPolarHBondContact SG-CG2 3.24Å
614	I	95.4	Very high	88.6	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	124.1	171.5	-62.9	169.2	0	0	0	108.5	S607 F639 V646 L649 S659 W669	S607-I614 CarbonylContact O-C 3.49Å; S607-I614 VanDerWaalsContact O-CA 3.26Å; S607-I614 WeakPolarHBondContact O-CA 3.47Å; I614-F639 HydrophobicContact CB-CB 3.93Å; I614-F639 HydrophobicContact CG2-CB 4.08Å; I614-F639 HydrophobicContact CG2-CD2 4.31Å; I614-F639 HydrophobicContact CG2-CG 4.34Å; I614-F639 PolarHBondContact O-N 3Å; I614-V646 HydrophobicContact CD1-CG1 4.24Å; I614-V646 HydrophobicContact CD1-CG2 4.29Å; I614-V646 HydrophobicContact CG1-CG1 4.25Å; I614-V646 HydrophobicContact CG1-CG2 3.93Å; I614-L649 HydrophobicContact CD1-CD2 4.1Å; I614-L649 HydrophobicContact CG1-CD2 4.5Å; I614-S659 VanDerWaalsContact CD1-CB 3.42Å; I614-W669 HydrophobicContact CD1-CZ2 4.07Å
615	R	93.1	Very high	87.7	Confident	37 Å²	37	29.8 Å²	29.8	14%	0.14	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	149.7	177.7	-67.9	-175	172.3	-90	2.3	110.7	G573 Y606 S607 W617 I638	G573-R615 PolarHBondContact O-NE 3.3Å; G573-R615 PolarHBondContact O-NH2 3.29Å; Y606-R615 CarbonylContact C-O 3.52Å; Y606-R615 VanDerWaalsContact CA-O 3.28Å; Y606-R615 WeakPolarHBondContact CA-O 3.29Å; S607-R615 PolarHBondContact N-O 3.46Å; S607-R615 PolarHBondContact O-N 2.94Å; R615-W617 HydrophobicContact CB-CZ2 3.91Å; R615-I638 HydrophobicContact CG-CG1 4.37Å
616	S	91.7	Very high	86.6	Confident	6 Å²	6	32.6 Å²	32.6	4%	0.042	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	149.1	168.4	56.6	0	0	0	0	111.3	I605 G636 P637	I605-S616 CarbonylContact O-C 3.52Å; I605-S616 WeakPolarHBondContact O-CA 3.5Å; S616-G636 WeakPolarHBondContact O-CA 3.29Å; S616-G636 PolarHBondContact O-N 2.92Å; S616-G636 WeakPolarHBondContact OG-CA 3.46Å; S616-P637 PolarHBondContact N-O 2.99Å; S616-P637 WeakPolarHBondContact OG-CD 3.45Å; S616-P637 WeakPolarHBondContact OG-CG 3.25Å; S616-P637 PolarHBondContact OG-O 3.26Å
617	W	91.1	Very high	85.6	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.008	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	136	178.3	-41.1	86.5	0	0	0	108.5	L546 F571 H574 Y604 I605 S607 R615 M634 M635	L546-W617 HydrophobicContact CD1-CZ2 4.21Å; F571-W617 HydrophobicContact CB-CD2 4.15Å; F571-W617 HydrophobicContact CB-CE3 4.01Å; F571-W617 HydrophobicContact CB-CH2 4.17Å; F571-W617 HydrophobicContact CB-CZ2 4.33Å; F571-W617 HydrophobicContact CB-CZ3 4Å; F571-W617 HydrophobicContact CD1-CB 3.94Å; F571-W617 AromaticContact CD1-CD2 3.8Å; F571-W617 HydrophobicContact CD1-CD2 3.8Å; F571-W617 AromaticContact CD1-CE3 3.7Å; F571-W617 HydrophobicContact CD1-CE3 3.7Å; F571-W617 AromaticContact CD1-CG 3.91Å; F571-W617 HydrophobicContact CD1-CG 3.91Å; F571-W617 HydrophobicContact CD1-CZ3 4.45Å; F571-W617 HydrophobicContact CE1-CB 3.92Å; F571-W617 HydrophobicContact CE1-CG 4.35Å; F571-W617 HydrophobicContact CG-CD2 4.26Å; F571-W617 HydrophobicContact CG-CE3 4.28Å; H574-W617 AromaticContact CD2-CZ2 3.78Å; H574-W617 AromaticContact NE2-CZ2 3.88Å; Y604-W617 CarbonylContact C-O 3.54Å; Y604-W617 VanDerWaalsContact CA-O 3.29Å; Y604-W617 WeakPolarHBondContact CA-O 3.33Å; I605-W617 HydrophobicContact CB-CB 4.2Å; I605-W617 PolarHBondContact N-O 2.94Å; I605-W617 PolarHBondContact O-N 3.37Å; S607-W617 PolarHBondContact OG-NE1 3.28Å; R615-W617 HydrophobicContact CB-CZ2 3.91Å; W617-M634 CarbonylContact C-O 3.56Å; W617-M634 WeakPolarHBondContact CA-O 3.21Å; W617-M635 HydrophobicContact CE3-CG 4.25Å; W617-M635 HydrophobicContact CH2-CE 4.43Å; W617-M635 HydrophobicContact CZ3-CE 4.17Å; W617-M635 HydrophobicContact CZ3-CG 3.92Å
618	C	87.6	Confident	84.5	Confident	27 Å²	27	45.1 Å²	45.1	18%	0.182	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	114.3	178.5	178.5	0	0	0	0	109.1	I603 Y604 M634	I603-C618 CarbonylContact O-C 3.58Å; I603-C618 WeakPolarHBondContact O-CA 3.33Å; Y604-C618 HydrophobicContact CD1-CB 4.03Å; Y604-C618 HydrophobicContact CE1-CB 3.8Å; C618-M634 PolarHBondContact N-O 3.18Å; C618-M634 WeakPolarHBondContact O-CA 3.33Å; C618-M634 WeakPolarHBondContact O-CE 3.44Å
619	V	84.9	Confident	83.2	Confident	3 Å²	3	51.3 Å²	51.3	2%	0.018	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	109.9	176.8	-177.2	0	0	0	0	108.7	L548 F571 P602 I603 I605 L624	L548-V619 HydrophobicContact CD2-CG1 4.13Å; F571-V619 HydrophobicContact CE1-CG2 3.73Å; F571-V619 HydrophobicContact CZ-CG2 3.65Å; P602-V619 WeakPolarHBondContact CA-O 3.47Å; I603-V619 PolarHBondContact N-O 2.93Å; I603-V619 PolarHBondContact O-N 2.99Å; I605-V619 HydrophobicContact CD1-CG2 3.85Å; V619-L624 HydrophobicContact CG1-CD1 4.05Å
620	S	72.6	Confident	82.2	Confident	66 Å²	66	56.7 Å²	56.7	46%	0.462	30%	0.301	S	S	.	.			trans	-87.4	-22.9	-179	55	0	0	0	0	113.6
621	N	71.4	Confident	81.1	Confident	69 Å²	69	56.2 Å²	56.2	37%	0.369	30%	0.299	S	S	.	.			trans	-135	119.8	-176.3	-176.2	10.7	0	0	0	110.7	Q623 L624	N621-Q623 PolarHBondContact O-N 2.92Å; N621-Q623 WeakPolarHBondContact OD1-CA 3.38Å; N621-Q623 VanDerWaalsContact OD1-CB 3.29Å; N621-Q623 WeakPolarHBondContact OD1-CB 3.5Å; N621-Q623 PolarHBondContact OD1-N 3.33Å; N621-L624 WeakPolarHBondContact O-CD1 3.25Å; N621-L624 WeakPolarHBondContact O-CG 3.45Å
622	L	75	Confident	80	Confident	6 Å²	6	61.1 Å²	61.1	3%	0.031	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-5.6	174	-64.3	111.9	0	0	0	113.3	E534 V536 I603	E534-L622 WeakPolarHBondContact OE2-CD2 3.37Å; V536-L622 HydrophobicContact CB-CD2 4.13Å; V536-L622 HydrophobicContact CG1-CD2 3.89Å; V536-L622 HydrophobicContact CG2-CD2 3.75Å; I603-L622 HydrophobicContact CD1-CD1 3.61Å; I603-L622 HydrophobicContact CD1-CD2 3.57Å; I603-L622 HydrophobicContact CD1-CG 3.82Å
623	Q	73	Confident	79.1	Confident	117 Å²	117	64.3 Å²	64.3	55%	0.547	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	21.3	176.4	-60.2	-64.4	-25.1	0	0	112.9	K553 N621	K553-Q623 VanDerWaalsContact NZ-C 3.3Å; K553-Q623 PolarHBondContact NZ-O 3.22Å; N621-Q623 PolarHBondContact O-N 2.92Å; N621-Q623 WeakPolarHBondContact OD1-CA 3.38Å; N621-Q623 VanDerWaalsContact OD1-CB 3.29Å; N621-Q623 WeakPolarHBondContact OD1-CB 3.5Å; N621-Q623 PolarHBondContact OD1-N 3.33Å
624	L	71.4	Confident	78.4	Confident	24 Å²	24	63.6 Å²	63.6	13%	0.126	33%	0.333	C	S	.	.			trans	-47.8	143	172.3	-73.1	151.9	0	0	0	111.6	K553 I568 Y569 V619 N621	K553-L624 PolarHBondContact NZ-O 2.92Å; I568-L624 HydrophobicContact CG2-CB 3.68Å; I568-L624 WeakPolarHBondContact CG2-O 2.94Å; Y569-L624 HydrophobicContact CD2-CD1 4.42Å; V619-L624 HydrophobicContact CG1-CD1 4.05Å; N621-L624 WeakPolarHBondContact O-CD1 3.25Å; N621-L624 WeakPolarHBondContact O-CG 3.45Å
625	D	71.4	Confident	77.8	Confident	81 Å²	81	66.5 Å²	66.5	43%	0.433	35%	0.347	S	S	.	.			trans	-81	130.9	165.6	-169.6	-27.1	0	0	0	107.8	Y627 D628	D625-Y627 PolarHBondContact O-N 3.02Å; D625-Y627 WeakPolarHBondContact OD1-CD2 3.18Å; D625-Y627 PolarHBondContact OD1-N 3.47Å; D625-Y627 VanDerWaalsContact OD1-N 3.08Å; D625-D628 HydrophobicContact CB-CB 4.45Å; D625-D628 PolarHBondContact N-OD2 3.1Å; D625-D628 WeakPolarHBondContact O-CB 3.42Å; D625-D628 PolarHBondContact O-N 3.1Å
626	P	70.5	Confident	77.3	Confident	59 Å²	59	66 Å²	66	38%	0.383	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-25	172.2	-28.5	33.1	0	0	0	115
627	Y	73.9	Confident	77	Confident	183 Å²	183	67.8 Å²	67.8	72%	0.718	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	10.1	-178.6	-55	-77.9	0	0	0	114.2	D625	D625-Y627 PolarHBondContact O-N 3.02Å; D625-Y627 WeakPolarHBondContact OD1-CD2 3.18Å; D625-Y627 PolarHBondContact OD1-N 3.47Å; D625-Y627 VanDerWaalsContact OD1-N 3.08Å
628	D	73.3	Confident	76.8	Confident	92 Å²	92	70.9 Å²	70.9	49%	0.492	38%	0.381	S	S	.	.	S	Bend	trans	-61.8	148.2	174.1	-83.3	-29	0	0	0	111.4	D625	D625-D628 HydrophobicContact CB-CB 4.45Å; D625-D628 PolarHBondContact N-OD2 3.1Å; D625-D628 WeakPolarHBondContact O-CB 3.42Å; D625-D628 PolarHBondContact O-N 3.1Å
629	T	70.8	Confident	76.9	Confident	130 Å²	130	69.6 Å²	69.6	80%	0.798	37%	0.372	S	S	*	.			trans	-61.4	141.8	176.5	51.1	0	0	0	0	110.8	D631	T629-D631 PolarHBondContact O-N 3.28Å
630	F	74.7	Confident	76.9	Confident	116 Å²	116	77.2 Å²	77.2	51%	0.509	41%	0.408	S	S	.	.			trans	-54.5	115.5	175.4	175.4	-98.9	0	0	0	111.3	Y569 K632 M635	Y569-F630 WeakPolarHBondContact OH-CD2 3.25Å; Y569-F630 WeakPolarHBondContact OH-CE2 3.48Å; F630-K632 HydrophobicContact CE1-CB 4.23Å; F630-M635 HydrophobicContact CZ-CG 4.09Å; F630-M635 HydrophobicContact CZ-SD 3.76Å
631	D	74.6	Confident	77.6	Confident	72 Å²	72	75.2 Å²	75.2	39%	0.385	40%	0.397	S	S	.	.			trans	-93	112.4	175.8	-177.7	8.5	0	0	0	110.7	T629 A633 M634	T629-D631 PolarHBondContact O-N 3.28Å; D631-A633 PolarHBondContact O-N 3.11Å; D631-A633 WeakPolarHBondContact OD1-CB 3.36Å; D631-A633 PolarHBondContact OD1-N 3.26Å; D631-M634 HydrophobicContact CB-CG 3.89Å; D631-M634 VanDerWaalsContact O-CB 3.31Å; D631-M634 WeakPolarHBondContact O-CB 3.32Å; D631-M634 WeakPolarHBondContact O-CG 3.19Å; D631-M634 PolarHBondContact O-N 2.86Å; D631-M634 VanDerWaalsContact O-N 3.11Å
632	K	74.2	Confident	78.7	Confident	167 Å²	167	72.5 Å²	72.5	73%	0.726	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-64	-23.4	177	-164.8	177.3	-178.6	-178.9	0	112.1	F630 M634 M635	F630-K632 HydrophobicContact CE1-CB 4.23Å; K632-M634 PolarHBondContact O-N 2.84Å; K632-M635 PolarHBondContact O-N 3.32Å; K632-M635 VanDerWaalsContact O-N 3.11Å
633	A	75.2	Confident	79.6	Confident	71 Å²	71	77.9 Å²	77.9	59%	0.587	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-67.5	-16.9	175.9	0	0	0	0	0	113	D631 M635	D631-A633 PolarHBondContact O-N 3.11Å; D631-A633 WeakPolarHBondContact OD1-CB 3.36Å; D631-A633 PolarHBondContact OD1-N 3.26Å; A633-M635 VanDerWaalsContact C-N 3.27Å; A633-M635 PolarHBondContact O-N 2.89Å
634	M	80.8	Confident	80.7	Confident	8 Å²	8	75.8 Å²	75.8	4%	0.039	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-69.2	-26.7	172.2	-59.8	-77.2	104.7	0	0	112	W617 C618 D631 K632 G636	W617-M634 CarbonylContact C-O 3.56Å; W617-M634 WeakPolarHBondContact CA-O 3.21Å; C618-M634 PolarHBondContact N-O 3.18Å; C618-M634 WeakPolarHBondContact O-CA 3.33Å; C618-M634 WeakPolarHBondContact O-CE 3.44Å; D631-M634 HydrophobicContact CB-CG 3.89Å; D631-M634 VanDerWaalsContact O-CB 3.31Å; D631-M634 WeakPolarHBondContact O-CB 3.32Å; D631-M634 WeakPolarHBondContact O-CG 3.19Å; D631-M634 PolarHBondContact O-N 2.86Å; D631-M634 VanDerWaalsContact O-N 3.11Å; K632-M634 PolarHBondContact O-N 2.84Å; M634-G636 PolarHBondContact O-N 2.73Å
635	M	82.1	Confident	81.9	Confident	60 Å²	60	74.7 Å²	74.7	30%	0.296	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	117.8	178.5	-64.6	-171.2	75.3	0	0	110.2	W617 F630 K632 A633	W617-M635 HydrophobicContact CE3-CG 4.25Å; W617-M635 HydrophobicContact CH2-CE 4.43Å; W617-M635 HydrophobicContact CZ3-CE 4.17Å; W617-M635 HydrophobicContact CZ3-CG 3.92Å; F630-M635 HydrophobicContact CZ-CG 4.09Å; F630-M635 HydrophobicContact CZ-SD 3.76Å; K632-M635 PolarHBondContact O-N 3.32Å; K632-M635 VanDerWaalsContact O-N 3.11Å; A633-M635 VanDerWaalsContact C-N 3.27Å; A633-M635 PolarHBondContact O-N 2.89Å
636	G	83.4	Confident	83.2	Confident	26 Å²	26	70.9 Å²	70.9	27%	0.268	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-174.2	171.7	0	0	0	0	0	112.8	S616 M634	S616-G636 WeakPolarHBondContact O-CA 3.29Å; S616-G636 PolarHBondContact O-N 2.92Å; S616-G636 WeakPolarHBondContact OG-CA 3.46Å; M634-G636 PolarHBondContact O-N 2.73Å
637	P	84.6	Confident	84.5	Confident	45 Å²	45	72.4 Å²	72.4	29%	0.292	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	158.4	173.4	30.1	-40.8	0	0	0	112.7	S616 F639 F676	S616-P637 PolarHBondContact N-O 2.99Å; S616-P637 WeakPolarHBondContact OG-CD 3.45Å; S616-P637 WeakPolarHBondContact OG-CG 3.25Å; S616-P637 PolarHBondContact OG-O 3.26Å; P637-F639 HydrophobicContact CG-CE2 4.17Å; P637-F676 HydrophobicContact CB-CD1 4.49Å; P637-F676 HydrophobicContact CB-CD2 3.84Å; P637-F676 HydrophobicContact CB-CE2 4.12Å; P637-F676 HydrophobicContact CB-CG 4.02Å; P637-F676 HydrophobicContact CG-CB 4.36Å; P637-F676 HydrophobicContact CG-CD1 3.53Å; P637-F676 HydrophobicContact CG-CD2 3.57Å; P637-F676 HydrophobicContact CG-CE1 3.52Å; P637-F676 HydrophobicContact CG-CE2 3.58Å; P637-F676 HydrophobicContact CG-CG 3.52Å; P637-F676 HydrophobicContact CG-CZ 3.53Å
638	I	88.4	Confident	85.6	Confident	66 Å²	66	64.7 Å²	64.7	34%	0.338	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	135.9	169	-55.7	174.3	0	0	0	107.9	C613 R615 E640	C613-I638 WeakPolarHBondContact SG-CG2 3.24Å; R615-I638 HydrophobicContact CG-CG1 4.37Å; I638-E640 HydrophobicContact CG2-CG 4Å
639	F	89.2	Confident	86.7	Confident	1 Å²	1	60.9 Å²	60.9	0%	0.004	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	96.5	176.2	-67.2	-111.1	0	0	0	107.3	Y606 I614 P637 W669 L671 F676	Y606-F639 HydrophobicContact CD1-CE2 4.15Å; Y606-F639 HydrophobicContact CD1-CZ 4.34Å; Y606-F639 AromaticContact CE1-CE2 3.93Å; Y606-F639 HydrophobicContact CE1-CE2 3.93Å; Y606-F639 AromaticContact CE1-CZ 3.81Å; Y606-F639 HydrophobicContact CE1-CZ 3.81Å; I614-F639 HydrophobicContact CB-CB 3.93Å; I614-F639 HydrophobicContact CG2-CB 4.08Å; I614-F639 HydrophobicContact CG2-CD2 4.31Å; I614-F639 HydrophobicContact CG2-CG 4.34Å; I614-F639 PolarHBondContact O-N 3Å; P637-F639 HydrophobicContact CG-CE2 4.17Å; F639-W669 HydrophobicContact CB-CE3 4.22Å; F639-W669 HydrophobicContact CB-CH2 4.12Å; F639-W669 HydrophobicContact CB-CZ3 3.95Å; F639-W669 HydrophobicContact CD1-CB 4.38Å; F639-W669 AromaticContact CD1-CD2 3.92Å; F639-W669 HydrophobicContact CD1-CD2 3.92Å; F639-W669 AromaticContact CD1-CE3 3.54Å; F639-W669 HydrophobicContact CD1-CE3 3.54Å; F639-W669 HydrophobicContact CD1-CG 4.28Å; F639-W669 HydrophobicContact CD1-CZ3 4.05Å; F639-W669 HydrophobicContact CE1-CB 4.33Å; F639-W669 HydrophobicContact CE1-CE3 4.42Å; F639-W669 HydrophobicContact CG-CE3 4.37Å; F639-L671 HydrophobicContact CE1-CD2 4.11Å; F639-L671 HydrophobicContact CZ-CD2 4.07Å; F639-F676 HydrophobicContact CD1-CB 4.24Å; F639-F676 HydrophobicContact CE1-CB 3.86Å; F639-F676 HydrophobicContact CE1-CD1 4.07Å; F639-F676 HydrophobicContact CE1-CG 4.47Å; F639-F676 HydrophobicContact CE2-CD1 4.22Å; F639-F676 HydrophobicContact CZ-CB 4.05Å; F639-F676 AromaticContact CZ-CD1 3.55Å; F639-F676 HydrophobicContact CZ-CD1 3.55Å; F639-F676 HydrophobicContact CZ-CE1 4.46Å; F639-F676 HydrophobicContact CZ-CG 4.22Å
640	E	85.4	Confident	87.9	Confident	162 Å²	162	56 Å²	56	76%	0.757	30%	0.304	S	S	*	.			trans	-84.9	135.5	179.8	-64.5	-176.9	175.5	0	0	110.4	I638	I638-E640 HydrophobicContact CG2-CG 4Å
641	G	86.4	Confident	88.7	Confident	24 Å²	24	52.3 Å²	52.3	25%	0.247	29%	0.293	C	S	.	.			trans	164.6	-40.9	174.9	0	0	0	0	0	114.2	R667	G641-R667 VanDerWaalsContact C-NH2 3.33Å; G641-R667 VanDerWaalsContact O-CZ 3.24Å; G641-R667 PolarHBondContact O-NH2 3.49Å
642	H	94.1	Very high	89.3	Confident	13 Å²	13	50.1 Å²	50.1	6%	0.06	28%	0.279	C	S	.	.			trans	-71.8	143	172.5	-75.3	-59.2	0	0	0	110.6	G612 V646 S659 S661 D663 T665	G612-H642 WeakPolarHBondContact O-CB 3.47Å; H642-V646 HydrophobicContact CB-CG2 4.28Å; H642-S659 PolarHBondContact CD2-OG 3.18Å; H642-S659 PolarHBondContact NE2-OG 3.16Å; H642-S661 VanDerWaalsContact CE1-CB 3.5Å; H642-S661 WeakPolarHBondContact CE1-CB 3.22Å; H642-S661 WeakPolarHBondContact ND1-CB 3.48Å; H642-D663 VanDerWaalsContact CA-OD2 3.3Å; H642-D663 WeakPolarHBondContact CA-OD2 3.43Å; H642-D663 IonicContact CE1-OD1 3.95Å; H642-D663 IonicContact CE1-OD2 3.26Å; H642-D663 IonicContact CG-OD2 3.1Å; H642-D663 IonicContact ND1-OD1 2.92Å; H642-D663 PolarHBondContact ND1-OD1 2.94Å; H642-D663 IonicContact ND1-OD2 2.72Å; H642-D663 PolarHBondContact ND1-OD2 3.45Å; H642-T665 PolarHBondContact CE1-OG1 3.47Å; H642-T665 PolarHBondContact ND1-OG1 2.92Å
643	T	94.1	Very high	89.7	Confident	119 Å²	119	49.6 Å²	49.6	73%	0.73	27%	0.274	S	S	*	.			trans	-108.5	0.9	-178.3	58.5	0	0	0	0	112.9	D663	T643-D663 PolarHBondContact N-OD2 2.9Å; T643-D663 WeakPolarHBondContact OG1-CB 3.45Å
644	D	96	Very high	89.9	Confident	73 Å²	73	49 Å²	49	39%	0.39	26%	0.26	S	S	.	.	S	Bend	trans	-154.7	173.9	-175.8	-157.4	-6.6	0	0	0	110.4	G612 V646 S661 S662 D663	G612-D644 WeakPolarHBondContact CA-O 3.36Å; G612-D644 PolarHBondContact N-O 2.93Å; D644-V646 PolarHBondContact O-N 3.22Å; D644-S661 VanDerWaalsContact C-OG 3.29Å; D644-S661 PolarHBondContact O-OG 3.18Å; D644-S662 VanDerWaalsContact CG-CB 3.45Å; D644-S662 WeakPolarHBondContact OD2-CB 3.35Å; D644-D663 HydrophobicContact CB-CB 3.98Å
645	A	97.7	Very high	90	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.008	26%	0.264	C	S	.	.			trans	-41.6	129.3	-173.9	0	0	0	0	0	115.1	L579 L610 W647 S661 S662	L579-A645 HydrophobicContact CD1-CB 3.8Å; L610-A645 HydrophobicContact CD1-CB 3.84Å; L610-A645 VanDerWaalsContact O-CA 3.29Å; L610-A645 WeakPolarHBondContact O-CA 3.35Å; L610-A645 PolarHBondContact O-N 2.87Å; A645-W647 HydrophobicContact CB-CZ2 4.34Å; A645-S661 CarbonylContact O-C 3.57Å; A645-S661 WeakPolarHBondContact O-CA 3.28Å; A645-S661 WeakPolarHBondContact O-CB 3.29Å; A645-S661 PolarHBondContact O-OG 3.16Å; A645-S661 VanDerWaalsContact O-OG 3.06Å; A645-S662 PolarHBondContact O-N 3.48Å
646	V	98	Very high	90.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	95.4	176.7	-173.4	0	0	0	0	110.8	L579 S580 D609 I614 H642 D644 L649 T660	L579-V646 WeakPolarHBondContact CB-O 3.49Å; S580-V646 PolarHBondContact OG-O 2.99Å; D609-V646 PolarHBondContact O-N 2.8Å; I614-V646 HydrophobicContact CD1-CG1 4.24Å; I614-V646 HydrophobicContact CD1-CG2 4.29Å; I614-V646 HydrophobicContact CG1-CG1 4.25Å; I614-V646 HydrophobicContact CG1-CG2 3.93Å; H642-V646 HydrophobicContact CB-CG2 4.28Å; D644-V646 PolarHBondContact O-N 3.22Å; V646-L649 HydrophobicContact CG1-CD2 4.21Å; V646-L649 HydrophobicContact CG1-CG 4.17Å; V646-T660 CarbonylContact C-O 3.59Å
647	W	97.8	Very high	90.8	Very high	91 Å²	91	46.1 Å²	46.1	35%	0.345	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	-29.6	-175.9	-67.5	114.4	0	0	0	114.9	L579 A645 T660 S662 T702	L579-W647 HydrophobicContact CD1-CE3 4.14Å; L579-W647 HydrophobicContact CD1-CH2 4.44Å; L579-W647 HydrophobicContact CD1-CZ3 4.08Å; A645-W647 HydrophobicContact CB-CZ2 4.34Å; W647-T660 PolarHBondContact N-O 2.98Å; W647-S662 PolarHBondContact NE1-OG 3.34Å; W647-T702 VanDerWaalsContact CB-O 3.23Å; W647-T702 WeakPolarHBondContact CB-O 3.48Å
648	S	97.3	Very high	91.4	Very high	21 Å²	21	44 Å²	44	15%	0.147	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	133.5	-172.8	-175.8	0	0	0	0	111.6	S659 T660 A704	S648-S659 WeakPolarHBondContact O-CA 3.35Å; S648-T660 PolarHBondContact N-O 3.4Å; S648-T660 PolarHBondContact O-N 3.09Å; S648-A704 PolarHBondContact OG-N 2.65Å; S648-A704 PolarHBondContact OG-O 2.66Å
649	L	96.8	Very high	91.7	Very high	12 Å²	12	40.9 Å²	40.9	6%	0.063	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126.5	170	-73.7	171.4	0	0	0	108.2	S580 A582 G608 I614 V646 L657 L658	S580-L649 WeakPolarHBondContact OG-CG 3.34Å; A582-L649 HydrophobicContact CB-CB 3.85Å; G608-L649 VanDerWaalsContact N-CD1 3.3Å; I614-L649 HydrophobicContact CD1-CD2 4.1Å; I614-L649 HydrophobicContact CG1-CD2 4.5Å; V646-L649 HydrophobicContact CG1-CD2 4.21Å; V646-L649 HydrophobicContact CG1-CG 4.17Å; L649-L657 HydrophobicContact CB-CD1 4.47Å; L649-L657 HydrophobicContact CD2-CD1 4.21Å; L649-L657 HydrophobicContact CD2-CD2 4.28Å; L649-L657 HydrophobicContact CD2-CG 4.31Å; L649-L658 WeakPolarHBondContact CA-O 3.45Å
650	C	94.7	Very high	92.1	Very high	29 Å²	29	40.9 Å²	40.9	20%	0.196	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	127.6	176.8	-172.4	0	0	0	0	108.6	L658 F706	C650-L658 PolarHBondContact N-O 3.1Å; C650-L658 PolarHBondContact O-N 2.95Å; C650-F706 HydrophobicContact CB-CD2 4.3Å; C650-F706 WeakPolarHBondContact O-CE2 3.34Å
651	S	91.8	Very high	92.7	Very high	38 Å²	38	33.1 Å²	33.1	27%	0.266	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	151.7	179.4	56.7	0	0	0	0	112.5	M583 L656	M583-S651 PolarHBondContact O-OG 3.04Å; S651-L656 WeakPolarHBondContact CA-O 3.35Å
652	R	88	Confident	93.1	Very high	25 Å²	25	33.1 Å²	33.1	9%	0.094	17%	0.173	C	C	.	.			trans	-116.3	158.4	172	-80.3	162.1	53.5	158.8	3.8	111.7	D654 G655 L656 F706 L711	R652-D654 WeakPolarHBondContact CB-OD1 3.47Å; R652-D654 IonicContact CZ-OD2 3.87Å; R652-D654 VanDerWaalsContact CZ-OD2 3.26Å; R652-D654 IonicContact NE-OD1 3.91Å; R652-D654 PolarHBondContact NE-OD1 2.61Å; R652-D654 IonicContact NE-OD2 3.95Å; R652-D654 PolarHBondContact NE-OD2 3.4Å; R652-D654 IonicContact NH2-OD2 3.83Å; R652-D654 PolarHBondContact NH2-OD2 2.95Å; R652-D654 PolarHBondContact O-N 2.91Å; R652-G655 PolarHBondContact O-N 3.26Å; R652-L656 HydrophobicContact CB-CB 4.38Å; R652-L656 PolarHBondContact N-O 2.84Å; R652-F706 HydrophobicContact CB-CE2 4.4Å; R652-F706 VanDerWaalsContact CD-CE2 3.42Å; R652-F706 VanDerWaalsContact CD-CZ 3.5Å; R652-F706 HydrophobicContact CG-CB 4.1Å; R652-F706 HydrophobicContact CG-CD1 4.34Å; R652-F706 HydrophobicContact CG-CD2 3.37Å; R652-F706 HydrophobicContact CG-CE2 3.65Å; R652-F706 HydrophobicContact CG-CG 3.71Å; R652-F706 HydrophobicContact CG-CZ 4.23Å; R652-L711 PolarHBondContact NH1-O 2.99Å; R652-L711 PolarHBondContact NH2-O 3.12Å
653	Y	81.2	Confident	93.2	Very high	157 Å²	157	34.3 Å²	34.3	62%	0.616	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-17.6	-179.7	60.2	-92.4	0	0	0	113.8	L587 G655 L711	L587-Y653 VanDerWaalsContact CD1-O 3.29Å; L587-Y653 WeakPolarHBondContact CD1-O 3.45Å; Y653-G655 PolarHBondContact O-N 2.75Å; Y653-L711 HydrophobicContact CE1-CD2 4.5Å; Y653-L711 WeakPolarHBondContact OH-CD1 2.96Å
654	D	81.2	Confident	93.1	Very high	58 Å²	58	29.1 Å²	29.1	31%	0.31	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	7.3	176.5	60.2	-6.6	0	0	0	113.4	R652 L656	R652-D654 WeakPolarHBondContact CB-OD1 3.47Å; R652-D654 IonicContact CZ-OD2 3.87Å; R652-D654 VanDerWaalsContact CZ-OD2 3.26Å; R652-D654 IonicContact NE-OD1 3.91Å; R652-D654 PolarHBondContact NE-OD1 2.61Å; R652-D654 IonicContact NE-OD2 3.95Å; R652-D654 PolarHBondContact NE-OD2 3.4Å; R652-D654 IonicContact NH2-OD2 3.83Å; R652-D654 PolarHBondContact NH2-OD2 2.95Å; R652-D654 PolarHBondContact O-N 2.91Å; D654-L656 WeakPolarHBondContact OD1-CB 3.47Å; D654-L656 PolarHBondContact OD1-N 3.13Å; D654-L656 WeakPolarHBondContact OD2-CD1 3.32Å
655	G	82.3	Confident	93	Very high	12 Å²	12	25.9 Å²	25.9	12%	0.124	13%	0.133	C	C	.	.	S	Bend	trans	80.6	20.6	-179.1	0	0	0	0	0	113.3	R652 Y653 L671	R652-G655 PolarHBondContact O-N 3.26Å; Y653-G655 PolarHBondContact O-N 2.75Å; G655-L671 WeakPolarHBondContact O-CB 3.46Å; G655-L671 VanDerWaalsContact O-CG 3.25Å; G655-L671 WeakPolarHBondContact O-CG 3.13Å; G655-L671 PolarHBondContact O-N 2.96Å
656	L	89.8	Confident	92.9	Very high	22 Å²	22	25.9 Å²	25.9	12%	0.115	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	136	168.4	-66.7	175.1	0	0	0	111.1	S651 R652 D654 L668 W669 H670 F706	S651-L656 WeakPolarHBondContact CA-O 3.35Å; R652-L656 HydrophobicContact CB-CB 4.38Å; R652-L656 PolarHBondContact N-O 2.84Å; D654-L656 WeakPolarHBondContact OD1-CB 3.47Å; D654-L656 PolarHBondContact OD1-N 3.13Å; D654-L656 WeakPolarHBondContact OD2-CD1 3.32Å; L656-L668 HydrophobicContact CB-CD1 4.11Å; L656-L668 HydrophobicContact CD1-CD1 4.4Å; L656-L668 HydrophobicContact CD1-CD2 4.46Å; L656-L668 HydrophobicContact CD2-CD1 4.21Å; L656-L668 HydrophobicContact CD2-CD2 4.08Å; L656-L668 HydrophobicContact CD2-CG 4.05Å; L656-L668 HydrophobicContact CG-CD1 4.48Å; L656-W669 WeakPolarHBondContact CA-O 3.47Å; L656-H670 HydrophobicContact CD2-CB 4.29Å; L656-H670 WeakPolarHBondContact CD2-ND1 2.95Å; L656-F706 HydrophobicContact CB-CZ 4.27Å
657	L	92.9	Very high	92.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	127.8	169.9	177.9	71.5	0	0	0	108.4	A582 Y606 L649 W669 L671	A582-L657 HydrophobicContact CB-CD1 4.02Å; Y606-L657 HydrophobicContact CD1-CD2 3.83Å; Y606-L657 HydrophobicContact CD2-CD2 4.35Å; Y606-L657 HydrophobicContact CE1-CD2 4.47Å; Y606-L657 HydrophobicContact CG-CD2 3.77Å; L649-L657 HydrophobicContact CB-CD1 4.47Å; L649-L657 HydrophobicContact CD2-CD1 4.21Å; L649-L657 HydrophobicContact CD2-CD2 4.28Å; L649-L657 HydrophobicContact CD2-CG 4.31Å; L657-W669 HydrophobicContact CB-CB 4.21Å; L657-W669 PolarHBondContact N-O 2.95Å; L657-W669 VanDerWaalsContact O-CD1 3.31Å; L657-W669 PolarHBondContact O-N 3.44Å; L657-L671 HydrophobicContact CB-CD1 4Å; L657-L671 HydrophobicContact CB-CD2 3.94Å; L657-L671 HydrophobicContact CB-CG 4.06Å; L657-L671 HydrophobicContact CD2-CD2 4.2Å
658	L	95.3	Very high	92.5	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.1	171.7	179.5	66	0	0	0	108.2	L649 C650 R667 A704 F706 F714	L649-L658 WeakPolarHBondContact CA-O 3.45Å; C650-L658 PolarHBondContact N-O 3.1Å; C650-L658 PolarHBondContact O-N 2.95Å; L658-R667 WeakPolarHBondContact CA-O 3.34Å; L658-A704 HydrophobicContact CD2-CB 3.76Å; L658-A704 HydrophobicContact CG-CB 4.4Å; L658-F706 HydrophobicContact CB-CD2 4.36Å; L658-F706 HydrophobicContact CB-CE1 4.14Å; L658-F706 HydrophobicContact CB-CE2 3.52Å; L658-F706 HydrophobicContact CB-CZ 3.41Å; L658-F706 VanDerWaalsContact CB-CZ 3.41Å; L658-F706 HydrophobicContact CD2-CE1 4.32Å; L658-F706 HydrophobicContact CD2-CE2 4.47Å; L658-F706 HydrophobicContact CD2-CZ 4.33Å; L658-F706 HydrophobicContact CG-CZ 4.41Å; L658-F714 HydrophobicContact CD1-CD2 4.47Å; L658-F714 HydrophobicContact CD1-CE2 4.47Å; L658-F714 HydrophobicContact CD2-CB 3.91Å; L658-F714 HydrophobicContact CD2-CD2 3.73Å; L658-F714 HydrophobicContact CD2-CE2 4.43Å; L658-F714 HydrophobicContact CD2-CG 3.92Å
659	S	96.8	Very high	92.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	148.6	168.6	62.8	0	0	0	0	110.4	I614 H642 S648 S666 R667 W669	I614-S659 VanDerWaalsContact CD1-CB 3.42Å; H642-S659 PolarHBondContact CD2-OG 3.18Å; H642-S659 PolarHBondContact NE2-OG 3.16Å; S648-S659 WeakPolarHBondContact O-CA 3.35Å; S659-S666 CarbonylContact O-C 3.54Å; S659-S666 WeakPolarHBondContact O-CA 3.28Å; S659-S666 WeakPolarHBondContact O-CB 3.5Å; S659-R667 PolarHBondContact N-O 2.94Å; S659-R667 PolarHBondContact O-N 3.3Å; S659-W669 PolarHBondContact OG-NE1 3.43Å
660	T	96.9	Very high	91.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	132.5	177.7	-62.7	0	0	0	0	109.5	V646 W647 S648 S666 I684 P701 A704	V646-T660 CarbonylContact C-O 3.59Å; W647-T660 PolarHBondContact N-O 2.98Å; S648-T660 PolarHBondContact N-O 3.4Å; S648-T660 PolarHBondContact O-N 3.09Å; T660-S666 PolarHBondContact OG1-OG 3.41Å; T660-I684 HydrophobicContact CG2-CD1 4.42Å; T660-P701 HydrophobicContact CG2-CB 3.48Å; T660-P701 VanDerWaalsContact CG2-CB 3.48Å; T660-P701 HydrophobicContact CG2-CG 3.62Å; T660-A704 HydrophobicContact CG2-CB 4.44Å; T660-A704 WeakPolarHBondContact OG1-CB 3.09Å
661	S	97.3	Very high	91.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	153.8	-171.2	168.6	0	0	0	0	113.1	H642 D644 A645 D663 G664 T665 P701	H642-S661 VanDerWaalsContact CE1-CB 3.5Å; H642-S661 WeakPolarHBondContact CE1-CB 3.22Å; H642-S661 WeakPolarHBondContact ND1-CB 3.48Å; D644-S661 VanDerWaalsContact C-OG 3.29Å; D644-S661 PolarHBondContact O-OG 3.18Å; A645-S661 CarbonylContact O-C 3.57Å; A645-S661 WeakPolarHBondContact O-CA 3.28Å; A645-S661 WeakPolarHBondContact O-CB 3.29Å; A645-S661 PolarHBondContact O-OG 3.16Å; A645-S661 VanDerWaalsContact O-OG 3.06Å; S661-D663 WeakPolarHBondContact CB-OD1 3.11Å; S661-D663 PolarHBondContact O-N 3.01Å; S661-D663 VanDerWaalsContact O-N 3.09Å; S661-D663 VanDerWaalsContact OG-CG 3.28Å; S661-D663 PolarHBondContact OG-N 3.1Å; S661-D663 VanDerWaalsContact OG-N 3.14Å; S661-D663 PolarHBondContact OG-OD1 3.3Å; S661-G664 PolarHBondContact O-N 3.44Å; S661-T665 PolarHBondContact N-O 3.36Å; S661-T665 VanDerWaalsContact N-O 3.09Å; S661-P701 WeakPolarHBondContact O-CD 3.44Å; S661-P701 WeakPolarHBondContact O-CG 3.46Å
662	S	95.9	Very high	90	Very high	23 Å²	23	29.4 Å²	29.4	16%	0.161	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-20.8	168.4	-74.9	0	0	0	0	114.2	D644 A645 W647 G664	D644-S662 VanDerWaalsContact CG-CB 3.45Å; D644-S662 WeakPolarHBondContact OD2-CB 3.35Å; A645-S662 PolarHBondContact O-N 3.48Å; W647-S662 PolarHBondContact NE1-OG 3.34Å; S662-G664 PolarHBondContact O-N 2.93Å
663	D	94.5	Very high	88.8	Confident	39 Å²	39	32.1 Å²	32.1	21%	0.209	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-2	177.2	71	10.1	0	0	0	114	H642 T643 D644 S661 T665	H642-D663 VanDerWaalsContact CA-OD2 3.3Å; H642-D663 WeakPolarHBondContact CA-OD2 3.43Å; H642-D663 IonicContact CE1-OD1 3.95Å; H642-D663 IonicContact CE1-OD2 3.26Å; H642-D663 IonicContact CG-OD2 3.1Å; H642-D663 IonicContact ND1-OD1 2.92Å; H642-D663 PolarHBondContact ND1-OD1 2.94Å; H642-D663 IonicContact ND1-OD2 2.72Å; H642-D663 PolarHBondContact ND1-OD2 3.45Å; T643-D663 PolarHBondContact N-OD2 2.9Å; T643-D663 WeakPolarHBondContact OG1-CB 3.45Å; D644-D663 HydrophobicContact CB-CB 3.98Å; S661-D663 WeakPolarHBondContact CB-OD1 3.11Å; S661-D663 PolarHBondContact O-N 3.01Å; S661-D663 VanDerWaalsContact O-N 3.09Å; S661-D663 VanDerWaalsContact OG-CG 3.28Å; S661-D663 PolarHBondContact OG-N 3.1Å; S661-D663 VanDerWaalsContact OG-N 3.14Å; S661-D663 PolarHBondContact OG-OD1 3.3Å; D663-T665 VanDerWaalsContact C-N 3.35Å; D663-T665 VanDerWaalsContact CG-OG1 3.27Å; D663-T665 WeakPolarHBondContact OD1-CA 3.32Å; D663-T665 VanDerWaalsContact OD1-CB 3.28Å; D663-T665 WeakPolarHBondContact OD1-CB 3.36Å; D663-T665 PolarHBondContact OD1-N 3.01Å; D663-T665 PolarHBondContact OD1-OG1 2.97Å; D663-T665 PolarHBondContact OD2-OG1 3.16Å
664	G	92.9	Very high	87.9	Confident	9 Å²	9	32.1 Å²	32.1	9%	0.093	17%	0.168	C	C	.	.	S	Bend	trans	84	13	178.1	0	0	0	0	0	113.6	S661 S662 Y683 I684 S685	S661-G664 PolarHBondContact O-N 3.44Å; S662-G664 PolarHBondContact O-N 2.93Å; G664-Y683 CarbonylContact O-C 3.5Å; G664-I684 PolarHBondContact O-N 3.44Å; G664-S685 WeakPolarHBondContact CA-OG 3.46Å; G664-S685 PolarHBondContact O-N 3.47Å; G664-S685 VanDerWaalsContact O-N 3.09Å; G664-S685 PolarHBondContact O-OG 3.48Å
665	T	94.9	Very high	87	Confident	6 Å²	6	31.4 Å²	31.4	4%	0.037	17%	0.168	C	C	.	.			trans	-117.5	146.3	179	75.4	0	0	0	0	112.5	H642 S661 D663 V681 Y682 Y683	H642-T665 PolarHBondContact CE1-OG1 3.47Å; H642-T665 PolarHBondContact ND1-OG1 2.92Å; S661-T665 PolarHBondContact N-O 3.36Å; S661-T665 VanDerWaalsContact N-O 3.09Å; D663-T665 VanDerWaalsContact C-N 3.35Å; D663-T665 VanDerWaalsContact CG-OG1 3.27Å; D663-T665 WeakPolarHBondContact OD1-CA 3.32Å; D663-T665 VanDerWaalsContact OD1-CB 3.28Å; D663-T665 WeakPolarHBondContact OD1-CB 3.36Å; D663-T665 PolarHBondContact OD1-N 3.01Å; D663-T665 PolarHBondContact OD1-OG1 2.97Å; D663-T665 PolarHBondContact OD2-OG1 3.16Å; T665-V681 HydrophobicContact CG2-CG1 4.29Å; T665-Y682 CarbonylContact C-O 3.58Å; T665-Y682 WeakPolarHBondContact CA-O 3.15Å; T665-Y682 WeakPolarHBondContact CB-O 3.34Å; T665-Y683 HydrophobicContact CG2-CD1 3.57Å; T665-Y683 HydrophobicContact CG2-CE1 3.85Å; T665-Y683 HydrophobicContact CG2-CG 4.35Å
666	S	94.8	Very high	86.1	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	138.1	157.1	-66.8	0	0	0	0	108.2	S659 T660 Y682 I684	S659-S666 CarbonylContact O-C 3.54Å; S659-S666 WeakPolarHBondContact O-CA 3.28Å; S659-S666 WeakPolarHBondContact O-CB 3.5Å; T660-S666 PolarHBondContact OG1-OG 3.41Å; S666-Y682 PolarHBondContact N-O 2.89Å; S666-Y682 WeakPolarHBondContact O-CA 3.32Å; S666-Y682 WeakPolarHBondContact O-CB 3.36Å; S666-Y682 WeakPolarHBondContact O-CD2 3.21Å; S666-Y682 PolarHBondContact O-N 2.84Å; S666-I684 WeakPolarHBondContact OG-CD1 3.29Å
667	R	94.8	Very high	84.8	Confident	38 Å²	38	38.2 Å²	38.2	14%	0.143	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	137.5	-179.3	-67.6	178.9	173.5	-117.7	1.2	110.2	G641 L658 S659 W669 V681	G641-R667 VanDerWaalsContact C-NH2 3.33Å; G641-R667 VanDerWaalsContact O-CZ 3.24Å; G641-R667 PolarHBondContact O-NH2 3.49Å; L658-R667 WeakPolarHBondContact CA-O 3.34Å; S659-R667 PolarHBondContact N-O 2.94Å; S659-R667 PolarHBondContact O-N 3.3Å; R667-W669 HydrophobicContact CB-CZ2 3.73Å; R667-W669 VanDerWaalsContact CD-CZ2 3.43Å; R667-W669 HydrophobicContact CG-CZ2 4.24Å; R667-V681 HydrophobicContact CG-CB 4.48Å; R667-V681 HydrophobicContact CG-CG1 4.13Å; R667-V681 HydrophobicContact CG-CG2 4.17Å
668	L	93.4	Very high	83.2	Confident	8 Å²	8	39.2 Å²	39.2	4%	0.042	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	118.9	174.1	-170.8	73.4	0	0	0	108.7	L656 S679 D680 Y682 F706 L728	L656-L668 HydrophobicContact CB-CD1 4.11Å; L656-L668 HydrophobicContact CD1-CD1 4.4Å; L656-L668 HydrophobicContact CD1-CD2 4.46Å; L656-L668 HydrophobicContact CD2-CD1 4.21Å; L656-L668 HydrophobicContact CD2-CD2 4.08Å; L656-L668 HydrophobicContact CD2-CG 4.05Å; L656-L668 HydrophobicContact CG-CD1 4.48Å; L668-S679 WeakPolarHBondContact O-CB 3.34Å; L668-S679 PolarHBondContact O-N 2.92Å; L668-D680 HydrophobicContact CB-CB 4.32Å; L668-D680 PolarHBondContact N-O 2.97Å; L668-D680 PolarHBondContact O-N 2.99Å; L668-Y682 HydrophobicContact CB-CE2 3.84Å; L668-F706 HydrophobicContact CD1-CE1 3.94Å; L668-F706 HydrophobicContact CD1-CZ 3.71Å; L668-L728 HydrophobicContact CD1-CD2 4.32Å; L668-L728 HydrophobicContact CD2-CD2 4.21Å
669	W	91.2	Very high	82	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.008	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	130.8	179.1	-44.3	87.3	0	0	0	108.7	I614 F639 L656 L657 S659 R667 L671 S678	I614-W669 HydrophobicContact CD1-CZ2 4.07Å; F639-W669 HydrophobicContact CB-CE3 4.22Å; F639-W669 HydrophobicContact CB-CH2 4.12Å; F639-W669 HydrophobicContact CB-CZ3 3.95Å; F639-W669 HydrophobicContact CD1-CB 4.38Å; F639-W669 AromaticContact CD1-CD2 3.92Å; F639-W669 HydrophobicContact CD1-CD2 3.92Å; F639-W669 AromaticContact CD1-CE3 3.54Å; F639-W669 HydrophobicContact CD1-CE3 3.54Å; F639-W669 HydrophobicContact CD1-CG 4.28Å; F639-W669 HydrophobicContact CD1-CZ3 4.05Å; F639-W669 HydrophobicContact CE1-CB 4.33Å; F639-W669 HydrophobicContact CE1-CE3 4.42Å; F639-W669 HydrophobicContact CG-CE3 4.37Å; L656-W669 WeakPolarHBondContact CA-O 3.47Å; L657-W669 HydrophobicContact CB-CB 4.21Å; L657-W669 PolarHBondContact N-O 2.95Å; L657-W669 VanDerWaalsContact O-CD1 3.31Å; L657-W669 PolarHBondContact O-N 3.44Å; S659-W669 PolarHBondContact OG-NE1 3.43Å; R667-W669 HydrophobicContact CB-CZ2 3.73Å; R667-W669 VanDerWaalsContact CD-CZ2 3.43Å; R667-W669 HydrophobicContact CG-CZ2 4.24Å; W669-L671 HydrophobicContact CB-CD2 4.49Å; W669-S678 VanDerWaalsContact CE3-N 3.33Å; W669-S678 VanDerWaalsContact CZ3-CB 3.43Å
670	H	86.2	Confident	81.3	Confident	54 Å²	54	44.7 Å²	44.7	25%	0.25	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	112.8	174.4	-165.5	73.2	0	0	0	108.7	L656 R672	L656-H670 HydrophobicContact CD2-CB 4.29Å; L656-H670 WeakPolarHBondContact CD2-ND1 2.95Å; H670-R672 PolarHBondContact CD2-NE 2.98Å; H670-R672 PolarHBondContact CD2-NH2 2.96Å; H670-R672 VanDerWaalsContact NE2-CZ 3.3Å; H670-R672 PolarHBondContact NE2-NE 3.36Å; H670-R672 VanDerWaalsContact NE2-NE 3.17Å; H670-R672 PolarHBondContact NE2-NH2 3.26Å; H670-R672 PolarHBondContact O-N 3.33Å; H670-R672 VanDerWaalsContact O-N 3.07Å
671	L	81.1	Confident	80.9	Confident	27 Å²	27	46.5 Å²	46.5	14%	0.141	25%	0.254	C	S	.	.			trans	-82.1	87.3	-171	-55.4	176.1	0	0	0	109.7	V584 Y606 F639 G655 L657 W669	V584-L671 HydrophobicContact CG2-CD1 3.93Å; Y606-L671 HydrophobicContact CD1-CD2 4.44Å; Y606-L671 HydrophobicContact CD2-CD1 4.5Å; Y606-L671 HydrophobicContact CE1-CD2 3.64Å; Y606-L671 HydrophobicContact CE2-CD1 3.64Å; Y606-L671 HydrophobicContact CE2-CD2 4.29Å; F639-L671 HydrophobicContact CE1-CD2 4.11Å; F639-L671 HydrophobicContact CZ-CD2 4.07Å; G655-L671 WeakPolarHBondContact O-CB 3.46Å; G655-L671 VanDerWaalsContact O-CG 3.25Å; G655-L671 WeakPolarHBondContact O-CG 3.13Å; G655-L671 PolarHBondContact O-N 2.96Å; L657-L671 HydrophobicContact CB-CD1 4Å; L657-L671 HydrophobicContact CB-CD2 3.94Å; L657-L671 HydrophobicContact CB-CG 4.06Å; L657-L671 HydrophobicContact CD2-CD2 4.2Å; W669-L671 HydrophobicContact CB-CD2 4.49Å
672	R	68.5	Low	80.4	Confident	136 Å²	136	46.6 Å²	46.6	51%	0.513	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-104.5	145.9	169.5	-68.2	-177.7	-172.9	122	4.2	109.9	H670 N674 S675 F676	H670-R672 PolarHBondContact CD2-NE 2.98Å; H670-R672 PolarHBondContact CD2-NH2 2.96Å; H670-R672 VanDerWaalsContact NE2-CZ 3.3Å; H670-R672 PolarHBondContact NE2-NE 3.36Å; H670-R672 VanDerWaalsContact NE2-NE 3.17Å; H670-R672 PolarHBondContact NE2-NH2 3.26Å; H670-R672 PolarHBondContact O-N 3.33Å; H670-R672 VanDerWaalsContact O-N 3.07Å; R672-N674 PolarHBondContact O-N 3.34Å; R672-S675 PolarHBondContact O-N 3.45Å; R672-F676 VanDerWaalsContact O-CE1 3.28Å; R672-F676 WeakPolarHBondContact O-CE1 3.39Å
673	P	63.1	Low	80.1	Confident	83 Å²	83	51 Å²	51	54%	0.539	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-25.5	-178.9	-27.6	33.8	0	0	0	115.2	L588 F676	L588-P673 HydrophobicContact CD1-CG 4.33Å; P673-F676 WeakPolarHBondContact O-CZ 3.21Å
674	N	61.9	Low	79.8	Confident	157 Å²	157	49.2 Å²	49.2	84%	0.84	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128	12.1	-176.6	-69.4	-17.1	0	0	0	114	R672	R672-N674 PolarHBondContact O-N 3.34Å
675	S	63.5	Low	79.3	Confident	43 Å²	43	49 Å²	49	30%	0.301	26%	0.256	S	S	.	.	B	Isolated β-bridge	trans	-141.6	114.1	179.5	167.4	0	0	0	0	110	R672	R672-S675 PolarHBondContact O-N 3.45Å
676	F	62.9	Low	78.8	Confident	68 Å²	68	55.4 Å²	55.4	30%	0.298	28%	0.283	S	S	.	.			trans	-119.9	24	-172	-50.5	-71	0	0	0	112.4	P637 F639 R672 P673	P637-F676 HydrophobicContact CB-CD1 4.49Å; P637-F676 HydrophobicContact CB-CD2 3.84Å; P637-F676 HydrophobicContact CB-CE2 4.12Å; P637-F676 HydrophobicContact CB-CG 4.02Å; P637-F676 HydrophobicContact CG-CB 4.36Å; P637-F676 HydrophobicContact CG-CD1 3.53Å; P637-F676 HydrophobicContact CG-CD2 3.57Å; P637-F676 HydrophobicContact CG-CE1 3.52Å; P637-F676 HydrophobicContact CG-CE2 3.58Å; P637-F676 HydrophobicContact CG-CG 3.52Å; P637-F676 HydrophobicContact CG-CZ 3.53Å; F639-F676 HydrophobicContact CD1-CB 4.24Å; F639-F676 HydrophobicContact CE1-CB 3.86Å; F639-F676 HydrophobicContact CE1-CD1 4.07Å; F639-F676 HydrophobicContact CE1-CG 4.47Å; F639-F676 HydrophobicContact CE2-CD1 4.22Å; F639-F676 HydrophobicContact CZ-CB 4.05Å; F639-F676 AromaticContact CZ-CD1 3.55Å; F639-F676 HydrophobicContact CZ-CD1 3.55Å; F639-F676 HydrophobicContact CZ-CE1 4.46Å; F639-F676 HydrophobicContact CZ-CG 4.22Å; R672-F676 VanDerWaalsContact O-CE1 3.28Å; R672-F676 WeakPolarHBondContact O-CE1 3.39Å; P673-F676 WeakPolarHBondContact O-CZ 3.21Å
677	V	61.8	Low	78.2	Confident	109 Å²	109	57.4 Å²	57.4	66%	0.661	29%	0.293	S	S	*	.			trans	-81.1	138.3	178.8	-173.5	0	0	0	0	109.1	S679	V677-S679 PolarHBondContact O-N 3.48Å; V677-S679 VanDerWaalsContact O-N 3.1Å
678	S	59.2	Low	77.7	Confident	20 Å²	20	55.6 Å²	55.6	14%	0.14	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	116.2	167.1	-166.3	0	0	0	0	107.7	W669 D680	W669-S678 VanDerWaalsContact CE3-N 3.33Å; W669-S678 VanDerWaalsContact CZ3-CB 3.43Å; S678-D680 PolarHBondContact OG-O 2.97Å
679	S	71.2	Confident	77.2	Confident	67 Å²	67	56.3 Å²	56.3	47%	0.469	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	-54.3	176.2	-178.9	0	0	0	0	108.5	L668 V677	L668-S679 WeakPolarHBondContact O-CB 3.34Å; L668-S679 PolarHBondContact O-N 2.92Å; V677-S679 PolarHBondContact O-N 3.48Å; V677-S679 VanDerWaalsContact O-N 3.1Å
680	D	80.5	Confident	76.6	Confident	50 Å²	50	64.8 Å²	64.8	27%	0.267	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	142.4	-172.2	-58.9	-66.3	0	0	0	110.4	L668 S678 Y682 H731	L668-D680 HydrophobicContact CB-CB 4.32Å; L668-D680 PolarHBondContact N-O 2.97Å; L668-D680 PolarHBondContact O-N 2.99Å; S678-D680 PolarHBondContact OG-O 2.97Å; D680-Y682 HydrophobicContact CB-CD2 4.45Å; D680-Y682 HydrophobicContact CB-CE2 3.6Å; D680-H731 IonicContact OD1-CE1 3.96Å; D680-H731 IonicContact OD1-NE2 3.65Å
681	V	88.4	Confident	76	Confident	38 Å²	38	66 Å²	66	23%	0.23	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	120.5	177.2	-177.1	0	0	0	0	108.2	T665 R667 Y683	T665-V681 HydrophobicContact CG2-CG1 4.29Å; R667-V681 HydrophobicContact CG-CB 4.48Å; R667-V681 HydrophobicContact CG-CG1 4.13Å; R667-V681 HydrophobicContact CG-CG2 4.17Å; V681-Y683 HydrophobicContact CG1-CD2 4.48Å; V681-Y683 HydrophobicContact CG1-CE1 4.39Å; V681-Y683 HydrophobicContact CG1-CE2 4.01Å
682	Y	87.6	Confident	75.3	Confident	1 Å²	1	68 Å²	68	0%	0.004	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	111.8	-179.7	-57.6	-104	0	0	0	108.2	T665 S666 L668 D680 I684 F714 L728 H731	T665-Y682 CarbonylContact C-O 3.58Å; T665-Y682 WeakPolarHBondContact CA-O 3.15Å; T665-Y682 WeakPolarHBondContact CB-O 3.34Å; S666-Y682 PolarHBondContact N-O 2.89Å; S666-Y682 WeakPolarHBondContact O-CA 3.32Å; S666-Y682 WeakPolarHBondContact O-CB 3.36Å; S666-Y682 WeakPolarHBondContact O-CD2 3.21Å; S666-Y682 PolarHBondContact O-N 2.84Å; L668-Y682 HydrophobicContact CB-CE2 3.84Å; D680-Y682 HydrophobicContact CB-CD2 4.45Å; D680-Y682 HydrophobicContact CB-CE2 3.6Å; Y682-I684 PolarHBondContact O-N 3.26Å; Y682-F714 AromaticContact CD1-CE1 3.97Å; Y682-F714 HydrophobicContact CD1-CE1 3.97Å; Y682-F714 HydrophobicContact CD1-CZ 4.25Å; Y682-F714 HydrophobicContact CE1-CE1 4.03Å; Y682-F714 HydrophobicContact CG-CE1 4.24Å; Y682-F714 HydrophobicContact CG-CZ 4.2Å; Y682-L728 VanDerWaalsContact OH-CA 3.25Å; Y682-L728 WeakPolarHBondContact OH-CA 3.46Å; Y682-L728 WeakPolarHBondContact OH-CD2 3.42Å; Y682-L728 PolarHBondContact OH-O 3.22Å; Y682-H731 HydrophobicContact CD1-CB 4.06Å; Y682-H731 HydrophobicContact CE1-CB 4.12Å; Y682-H731 AromaticContact CE1-CD2 3.3Å; Y682-H731 WeakPolarHBondContact CE1-CD2 3.46Å; Y682-H731 AromaticContact CE1-CG 3.75Å; Y682-H731 AromaticContact CE1-NE2 3.93Å; Y682-H731 AromaticContact CZ-CD2 3.7Å; Y682-H731 AromaticContact CZ-NE2 3.85Å
683	Y	89.8	Confident	74.9	Confident	117 Å²	117	68.2 Å²	68.2	46%	0.459	36%	0.362	S	S	.	.			trans	-80	62	175.7	-64.9	-85	0	0	0	111	G664 T665 V681 S685 K686 I687	G664-Y683 CarbonylContact O-C 3.5Å; T665-Y683 HydrophobicContact CG2-CD1 3.57Å; T665-Y683 HydrophobicContact CG2-CE1 3.85Å; T665-Y683 HydrophobicContact CG2-CG 4.35Å; V681-Y683 HydrophobicContact CG1-CD2 4.48Å; V681-Y683 HydrophobicContact CG1-CE1 4.39Å; V681-Y683 HydrophobicContact CG1-CE2 4.01Å; Y683-S685 VanDerWaalsContact C-N 3.32Å; Y683-S685 PolarHBondContact O-N 3.21Å; Y683-K686 HydrophobicContact CD1-CD 4.3Å; Y683-K686 PolarHBondContact O-N 2.83Å; Y683-K686 VanDerWaalsContact O-N 3.14Å; Y683-I687 VanDerWaalsContact O-CG1 3.29Å; Y683-I687 WeakPolarHBondContact O-CG1 2.98Å; Y683-I687 PolarHBondContact O-N 3.04Å
684	I	87.2	Confident	74.8	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-59.9	-36.2	-166.7	57.4	166.6	0	0	0	113.6	T660 G664 S666 Y682 I687 L688 P701 F714 A716 F718 F726	T660-I684 HydrophobicContact CG2-CD1 4.42Å; G664-I684 PolarHBondContact O-N 3.44Å; S666-I684 WeakPolarHBondContact OG-CD1 3.29Å; Y682-I684 PolarHBondContact O-N 3.26Å; I684-I687 PolarHBondContact O-N 3.09Å; I684-L688 WeakPolarHBondContact O-CB 3.47Å; I684-L688 PolarHBondContact O-N 2.98Å; I684-P701 HydrophobicContact CD1-CB 3.41Å; I684-P701 VanDerWaalsContact CD1-CB 3.41Å; I684-P701 HydrophobicContact CD1-CG 3.77Å; I684-P701 HydrophobicContact CG1-CB 4.29Å; I684-P701 HydrophobicContact CG1-CG 4.26Å; I684-F714 HydrophobicContact CG2-CE2 4.48Å; I684-F714 HydrophobicContact CG2-CZ 4.12Å; I684-A716 HydrophobicContact CD1-CB 4.1Å; I684-F718 HydrophobicContact CB-CE1 4.4Å; I684-F718 HydrophobicContact CB-CZ 4.07Å; I684-F718 HydrophobicContact CD1-CE1 3.98Å; I684-F718 HydrophobicContact CD1-CZ 3.85Å; I684-F718 HydrophobicContact CG1-CE1 4.11Å; I684-F718 HydrophobicContact CG1-CZ 4.15Å; I684-F726 HydrophobicContact CB-CE1 3.93Å; I684-F726 HydrophobicContact CB-CE2 4.1Å; I684-F726 HydrophobicContact CB-CZ 3.58Å; I684-F726 HydrophobicContact CG2-CD1 3.99Å; I684-F726 HydrophobicContact CG2-CD2 4.23Å; I684-F726 HydrophobicContact CG2-CE1 3.65Å; I684-F726 HydrophobicContact CG2-CE2 3.92Å; I684-F726 HydrophobicContact CG2-CG 4.27Å; I684-F726 HydrophobicContact CG2-CZ 3.64Å
685	S	83.7	Confident	74.2	Confident	5 Å²	5	63.6 Å²	63.6	4%	0.035	34%	0.339	C	S	.	.	H	α-helix	trans	-66.9	-43.7	176.6	-60.8	0	0	0	0	112.3	G664 Y683 I687 L688 N689 S699	G664-S685 WeakPolarHBondContact CA-OG 3.46Å; G664-S685 PolarHBondContact O-N 3.47Å; G664-S685 VanDerWaalsContact O-N 3.09Å; G664-S685 PolarHBondContact O-OG 3.48Å; Y683-S685 VanDerWaalsContact C-N 3.32Å; Y683-S685 PolarHBondContact O-N 3.21Å; S685-I687 VanDerWaalsContact C-N 3.31Å; S685-I687 PolarHBondContact O-N 3.24Å; S685-L688 PolarHBondContact O-N 2.67Å; S685-N689 WeakPolarHBondContact O-CB 3.46Å; S685-N689 VanDerWaalsContact O-CG 3.22Å; S685-N689 PolarHBondContact O-N 3.17Å; S685-N689 PolarHBondContact O-ND2 3.15Å; S685-S699 WeakPolarHBondContact CB-O 3.13Å; S685-S699 PolarHBondContact OG-O 3.36Å
686	K	83.3	Confident	73.8	Confident	140 Å²	140	71.1 Å²	71.1	61%	0.609	37%	0.369	S	S	*	.	H	α-helix	trans	-64.3	-38.9	177.2	-64.7	-178.1	-178.1	173	0	111.4	Y683 K690	Y683-K686 HydrophobicContact CD1-CD 4.3Å; Y683-K686 PolarHBondContact O-N 2.83Å; Y683-K686 VanDerWaalsContact O-N 3.14Å; K686-K690 WeakPolarHBondContact O-CB 3.46Å; K686-K690 PolarHBondContact O-N 3.16Å; K686-K690 VanDerWaalsContact O-N 3.12Å
687	I	83.9	Confident	73.6	Confident	42 Å²	42	75.2 Å²	75.2	22%	0.215	39%	0.389	C	S	.	.	H	α-helix	trans	-66.5	-43.4	178	-61.1	162.5	0	0	0	110	Y683 I684 S685 K690 C691 F726 H731 I733	Y683-I687 VanDerWaalsContact O-CG1 3.29Å; Y683-I687 WeakPolarHBondContact O-CG1 2.98Å; Y683-I687 PolarHBondContact O-N 3.04Å; I684-I687 PolarHBondContact O-N 3.09Å; S685-I687 VanDerWaalsContact C-N 3.31Å; S685-I687 PolarHBondContact O-N 3.24Å; I687-K690 PolarHBondContact O-N 3.49Å; I687-C691 PolarHBondContact O-N 3.5Å; I687-C691 PolarHBondContact O-SG 2.85Å; I687-C691 VanDerWaalsContact O-SG 3.38Å; I687-F726 HydrophobicContact CG2-CE1 4.42Å; I687-H731 WeakPolarHBondContact CD1-O 3.34Å; I687-I733 HydrophobicContact CB-CD1 4.47Å; I687-I733 HydrophobicContact CG2-CD1 3.65Å; I687-I733 HydrophobicContact CG2-CG1 3.69Å
688	L	83.2	Confident	73.9	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-62.5	-49.3	176.7	179.1	55.1	0	0	0	112	I684 S685 K690 C691 E692 I694 S699 F718 H722	I684-L688 WeakPolarHBondContact O-CB 3.47Å; I684-L688 PolarHBondContact O-N 2.98Å; S685-L688 PolarHBondContact O-N 2.67Å; L688-K690 PolarHBondContact O-N 3.05Å; L688-C691 PolarHBondContact O-N 3.4Å; L688-E692 HydrophobicContact CD1-CG 4.01Å; L688-E692 PolarHBondContact O-N 2.94Å; L688-I694 HydrophobicContact CG-CD1 4.31Å; L688-S699 WeakPolarHBondContact CD2-OG 3.43Å; L688-F718 HydrophobicContact CD2-CB 4.36Å; L688-F718 HydrophobicContact CD2-CD1 3.84Å; L688-F718 HydrophobicContact CD2-CD2 3.74Å; L688-F718 HydrophobicContact CD2-CE1 4Å; L688-F718 HydrophobicContact CD2-CE2 3.93Å; L688-F718 HydrophobicContact CD2-CG 3.7Å; L688-F718 HydrophobicContact CD2-CZ 4.04Å; L688-H722 HydrophobicContact CD2-CB 4.11Å
689	N	82.2	Confident	75.2	Confident	24 Å²	24	74.7 Å²	74.7	13%	0.128	38%	0.381	C	S	.	.	H	α-helix	trans	-59.7	-37	-179.8	-68.1	-16.5	0	0	0	112.2	S685 C691 N693 D698	S685-N689 WeakPolarHBondContact O-CB 3.46Å; S685-N689 VanDerWaalsContact O-CG 3.22Å; S685-N689 PolarHBondContact O-N 3.17Å; S685-N689 PolarHBondContact O-ND2 3.15Å; N689-C691 VanDerWaalsContact C-N 3.34Å; N689-N693 WeakPolarHBondContact O-CA 3.49Å; N689-N693 PolarHBondContact O-N 3.19Å; N689-N693 VanDerWaalsContact O-N 3.1Å; N689-D698 PolarHBondContact ND2-OD1 2.84Å
690	K	79.8	Confident	76.2	Confident	179 Å²	179	73.6 Å²	73.6	78%	0.778	37%	0.372	S	S	*	.	H	α-helix	trans	-66.9	-33.3	175.2	-174.8	178.1	177.8	-176.8	0	112.9	K686 I687 L688	K686-K690 WeakPolarHBondContact O-CB 3.46Å; K686-K690 PolarHBondContact O-N 3.16Å; K686-K690 VanDerWaalsContact O-N 3.12Å; I687-K690 PolarHBondContact O-N 3.49Å; L688-K690 PolarHBondContact O-N 3.05Å
691	C	72.2	Confident	77	Confident	81 Å²	81	71.2 Å²	71.2	55%	0.547	36%	0.359	S	S	.	.	H	α-helix	trans	-78.9	-40.5	-178.9	-74.6	0	0	0	0	112.7	I687 L688 N689	I687-C691 PolarHBondContact O-N 3.5Å; I687-C691 PolarHBondContact O-SG 2.85Å; I687-C691 VanDerWaalsContact O-SG 3.38Å; L688-C691 PolarHBondContact O-N 3.4Å; N689-C691 VanDerWaalsContact C-N 3.34Å
692	E	68.2	Low	77.3	Confident	67 Å²	67	70.6 Å²	70.6	31%	0.313	36%	0.355	S	S	.	.	H	α-helix	trans	-100	-2.9	-172.5	-74.6	-75.3	150.3	0	0	114.1	L688 I694 H722 N736	L688-E692 HydrophobicContact CD1-CG 4.01Å; L688-E692 PolarHBondContact O-N 2.94Å; E692-I694 HydrophobicContact CB-CD1 3.56Å; E692-I694 HydrophobicContact CB-CG1 3.52Å; E692-I694 HydrophobicContact CG-CD1 4.19Å; E692-I694 PolarHBondContact O-N 3.15Å; E692-I694 VanDerWaalsContact O-N 3.14Å; E692-H722 IonicContact OE2-CE1 3.41Å; E692-N736 VanDerWaalsContact CD-ND2 3.33Å; E692-N736 WeakPolarHBondContact CG-ND2 3.42Å; E692-N736 PolarHBondContact OE1-ND2 3.31Å
693	N	60	Low	77.8	Confident	142 Å²	142	70.9 Å²	70.9	76%	0.759	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	34.2	-171.6	-66.6	-37.9	0	0	0	112.6	N689 S695	N689-N693 WeakPolarHBondContact O-CA 3.49Å; N689-N693 PolarHBondContact O-N 3.19Å; N689-N693 VanDerWaalsContact O-N 3.1Å; N693-S695 PolarHBondContact O-N 3.44Å
694	I	60.1	Low	78.1	Confident	52 Å²	52	65.5 Å²	65.5	27%	0.267	34%	0.338	S	S	.	.			trans	-63.8	111.2	-179.7	-65.4	160	0	0	0	107.4	L688 E692	L688-I694 HydrophobicContact CG-CD1 4.31Å; E692-I694 HydrophobicContact CB-CD1 3.56Å; E692-I694 HydrophobicContact CB-CG1 3.52Å; E692-I694 HydrophobicContact CG-CD1 4.19Å; E692-I694 PolarHBondContact O-N 3.15Å; E692-I694 VanDerWaalsContact O-N 3.14Å
695	S	50.2	Low	78.5	Confident	91 Å²	91	66.5 Å²	66.5	64%	0.636	34%	0.344	S	S	*	.			trans	-75.1	125.7	-176.4	52.5	0	0	0	0	110.9	N693 Q697	N693-S695 PolarHBondContact O-N 3.44Å; S695-Q697 PolarHBondContact O-N 3.35Å
696	Q	53.5	Low	79.1	Confident	200 Å²	200	66.8 Å²	66.8	94%	0.935	34%	0.344	S	S	*	.	S	Bend	trans	84.9	-15.6	153.2	-60.7	168.7	1.6	0	0	119.9
697	Q	59.6	Low	79.7	Confident	154 Å²	154	60.2 Å²	60.2	72%	0.72	32%	0.316	S	S	*	.	S	Bend	trans	-132.5	123.1	173.3	-150.5	175.7	12.4	0	0	111.2	S695 S699	S695-Q697 PolarHBondContact O-N 3.35Å; Q697-S699 PolarHBondContact O-N 3.2Å
698	D	69.3	Low	79.9	Confident	115 Å²	115	61.1 Å²	61.1	62%	0.615	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-63.6	119	178.1	-75.3	-36.5	0	0	0	109.4	N689 T700	N689-D698 PolarHBondContact ND2-OD1 2.84Å; D698-T700 PolarHBondContact O-N 3Å
699	S	86.4	Confident	80.2	Confident	3 Å²	3	63.9 Å²	63.9	2%	0.021	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-64.6	120.1	177.3	60.2	0	0	0	0	110.1	S685 L688 Q697 N719 S720	S685-S699 WeakPolarHBondContact CB-O 3.13Å; S685-S699 PolarHBondContact OG-O 3.36Å; L688-S699 WeakPolarHBondContact CD2-OG 3.43Å; Q697-S699 PolarHBondContact O-N 3.2Å; S699-N719 VanDerWaalsContact CA-OD1 3.26Å; S699-N719 WeakPolarHBondContact CA-OD1 3.35Å; S699-S720 WeakPolarHBondContact CB-OG 3.45Å
700	T	92.1	Very high	80.6	Confident	45 Å²	45	65.6 Å²	65.6	28%	0.276	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-87.4	134.1	178.7	60.8	0	0	0	0	109.9	D698 F718 N719	D698-T700 PolarHBondContact O-N 3Å; T700-F718 WeakPolarHBondContact O-CA 3.34Å; T700-N719 PolarHBondContact N-OD1 3.39Å; T700-N719 PolarHBondContact O-N 3.15Å; T700-N719 PolarHBondContact O-OD1 2.96Å; T700-N719 PolarHBondContact OG1-ND2 3.48Å
701	P	95.8	Very high	81.1	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	139.4	177.1	36.6	-36.3	0	0	0	109.9	T660 S661 I684 G717 F718	T660-P701 HydrophobicContact CG2-CB 3.48Å; T660-P701 VanDerWaalsContact CG2-CB 3.48Å; T660-P701 HydrophobicContact CG2-CG 3.62Å; S661-P701 WeakPolarHBondContact O-CD 3.44Å; S661-P701 WeakPolarHBondContact O-CG 3.46Å; I684-P701 HydrophobicContact CD1-CB 3.41Å; I684-P701 VanDerWaalsContact CD1-CB 3.41Å; I684-P701 HydrophobicContact CD1-CG 3.77Å; I684-P701 HydrophobicContact CG1-CB 4.29Å; I684-P701 HydrophobicContact CG1-CG 4.26Å; P701-G717 WeakPolarHBondContact CA-O 3.37Å; P701-F718 HydrophobicContact CB-CD1 4Å; P701-F718 HydrophobicContact CB-CE1 3.89Å
702	T	95.6	Very high	82.1	Confident	24 Å²	24	57.6 Å²	57.6	15%	0.147	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	-29.4	-171	51.1	0	0	0	0	112.3	W647 G717 N719 V757	W647-T702 VanDerWaalsContact CB-O 3.23Å; W647-T702 WeakPolarHBondContact CB-O 3.48Å; T702-G717 PolarHBondContact N-O 3Å; T702-G717 PolarHBondContact OG1-O 2.9Å; T702-N719 HydrophobicContact CG2-CB 4.24Å; T702-V757 WeakPolarHBondContact CB-O 3.28Å; T702-V757 WeakPolarHBondContact CG2-O 3.45Å; T702-V757 PolarHBondContact OG1-O 3.35Å
703	S	96.8	Very high	83.3	Confident	8 Å²	8	55.6 Å²	55.6	6%	0.056	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	155	175.9	63.7	0	0	0	0	111.1	A716 G717 S759 V760	S703-A716 CarbonylContact O-C 3.51Å; S703-A716 VanDerWaalsContact O-CA 3.27Å; S703-A716 WeakPolarHBondContact O-CA 3.5Å; S703-G717 PolarHBondContact O-N 2.94Å; S703-S759 WeakPolarHBondContact OG-CA 3.41Å; S703-V760 PolarHBondContact OG-N 2.83Å
704	A	96.9	Very high	85.1	Confident	4 Å²	4	48.9 Å²	48.9	3%	0.033	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	152.4	170.5	0	0	0	0	0	111.9	S648 L658 T660 F714 A715 A716	S648-A704 PolarHBondContact OG-N 2.65Å; S648-A704 PolarHBondContact OG-O 2.66Å; L658-A704 HydrophobicContact CD2-CB 3.76Å; L658-A704 HydrophobicContact CG-CB 4.4Å; T660-A704 HydrophobicContact CG2-CB 4.44Å; T660-A704 WeakPolarHBondContact OG1-CB 3.09Å; A704-F714 HydrophobicContact CB-CD2 4.4Å; A704-A715 CarbonylContact C-O 3.55Å; A704-A715 WeakPolarHBondContact CA-O 3.34Å; A704-A715 WeakPolarHBondContact CB-O 3.41Å; A704-A716 HydrophobicContact CB-CB 4.06Å
705	T	96.6	Very high	86.8	Confident	21 Å²	21	46.4 Å²	46.4	13%	0.129	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	146	-178.1	-165.7	0	0	0	0	110.6	F714 A715 V760	T705-F714 CarbonylContact O-C 3.56Å; T705-F714 VanDerWaalsContact O-CA 3.32Å; T705-F714 WeakPolarHBondContact O-CA 3.29Å; T705-F714 WeakPolarHBondContact O-CB 3.5Å; T705-A715 HydrophobicContact CG2-CB 4.19Å; T705-A715 PolarHBondContact N-O 3.08Å; T705-A715 PolarHBondContact O-N 3.03Å; T705-V760 WeakPolarHBondContact CB-O 3.28Å; T705-V760 HydrophobicContact CG2-CG1 4.09Å; T705-V760 WeakPolarHBondContact CG2-O 3.44Å
706	F	96.2	Very high	89	Confident	10 Å²	10	42 Å²	42	4%	0.044	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	148.4	171.6	-67.9	-74.5	0	0	0	111.4	C650 R652 L656 L658 L668 F714 L728 S762	C650-F706 HydrophobicContact CB-CD2 4.3Å; C650-F706 WeakPolarHBondContact O-CE2 3.34Å; R652-F706 HydrophobicContact CB-CE2 4.4Å; R652-F706 VanDerWaalsContact CD-CE2 3.42Å; R652-F706 VanDerWaalsContact CD-CZ 3.5Å; R652-F706 HydrophobicContact CG-CB 4.1Å; R652-F706 HydrophobicContact CG-CD1 4.34Å; R652-F706 HydrophobicContact CG-CD2 3.37Å; R652-F706 HydrophobicContact CG-CE2 3.65Å; R652-F706 HydrophobicContact CG-CG 3.71Å; R652-F706 HydrophobicContact CG-CZ 4.23Å; L656-F706 HydrophobicContact CB-CZ 4.27Å; L658-F706 HydrophobicContact CB-CD2 4.36Å; L658-F706 HydrophobicContact CB-CE1 4.14Å; L658-F706 HydrophobicContact CB-CE2 3.52Å; L658-F706 HydrophobicContact CB-CZ 3.41Å; L658-F706 VanDerWaalsContact CB-CZ 3.41Å; L658-F706 HydrophobicContact CD2-CE1 4.32Å; L658-F706 HydrophobicContact CD2-CE2 4.47Å; L658-F706 HydrophobicContact CD2-CZ 4.33Å; L658-F706 HydrophobicContact CG-CZ 4.41Å; L668-F706 HydrophobicContact CD1-CE1 3.94Å; L668-F706 HydrophobicContact CD1-CZ 3.71Å; F706-F714 HydrophobicContact CD1-CB 4.04Å; F706-L728 HydrophobicContact CD1-CD1 4.36Å; F706-L728 HydrophobicContact CE1-CD1 4.12Å; F706-L728 HydrophobicContact CE1-CD2 4.35Å; F706-S762 VanDerWaalsContact O-CB 3.3Å; F706-S762 WeakPolarHBondContact O-CB 3.48Å
707	L	94.2	Very high	91	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	18%	0.183	C	C	.	.			trans	-80.7	124.7	171.5	-86.4	72.4	0	0	0	109.8	T709 N710 Q713 A715 L725 I769	L707-T709 VanDerWaalsContact C-N 3.31Å; L707-T709 PolarHBondContact O-N 3.36Å; L707-N710 WeakPolarHBondContact CB-O 3.44Å; L707-N710 CarbonylContact O-C 3.6Å; L707-Q713 HydrophobicContact CD1-CB 4.44Å; L707-Q713 HydrophobicContact CD2-CB 4.38Å; L707-Q713 PolarHBondContact N-O 3.34Å; L707-Q713 VanDerWaalsContact N-O 3.16Å; L707-A715 HydrophobicContact CD1-CB 3.97Å; L707-L725 HydrophobicContact CD1-CD1 3.29Å; L707-L725 HydrophobicContact CD2-CD1 3.57Å; L707-L725 HydrophobicContact CG-CD1 4.07Å; L707-I769 HydrophobicContact CD1-CD1 4.45Å
708	S	88.9	Confident	92.7	Very high	62 Å²	62	25.2 Å²	25.2	43%	0.434	15%	0.149	S	C	.	.	S	Bend	trans	-70.8	-28.7	177.4	-49.8	0	0	0	0	112.6	S762 P764	S708-S762 PolarHBondContact N-OG 2.97Å; S708-P764 WeakPolarHBondContact CB-O 3.38Å
709	T	89.2	Confident	93.8	Very high	58 Å²	58	22.2 Å²	22.2	36%	0.356	13%	0.133	S	C	.	.	S	Bend	trans	-85	-27.6	179.7	56.3	0	0	0	0	113.6	L707 L766	L707-T709 VanDerWaalsContact C-N 3.31Å; L707-T709 PolarHBondContact O-N 3.36Å; T709-L766 WeakPolarHBondContact CG2-O 3.42Å
710	N	91.6	Very high	93.9	Very high	59 Å²	59	22.9 Å²	22.9	32%	0.316	14%	0.138	S	C	.	.			trans	-135.6	100.3	177.3	-173.5	-11.9	0	0	0	110.3	L707 A712 Q713	L707-N710 WeakPolarHBondContact CB-O 3.44Å; L707-N710 CarbonylContact O-C 3.6Å; N710-A712 PolarHBondContact O-N 2.97Å; N710-A712 WeakPolarHBondContact OD1-CB 3.21Å; N710-A712 PolarHBondContact OD1-N 3.02Å; N710-Q713 VanDerWaalsContact ND2-CD 3.27Å; N710-Q713 PolarHBondContact ND2-NE2 3.06Å; N710-Q713 PolarHBondContact ND2-OE1 3.27Å; N710-Q713 PolarHBondContact O-N 3.29Å; N710-Q713 VanDerWaalsContact O-N 3.14Å
711	L	90	Very high	93.7	Very high	65 Å²	65	20.8 Å²	20.8	34%	0.34	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-11.2	-177.6	-61.2	176.5	0	0	0	113.8	R652 Y653 Q713 L728	R652-L711 PolarHBondContact NH1-O 2.99Å; R652-L711 PolarHBondContact NH2-O 3.12Å; Y653-L711 HydrophobicContact CE1-CD2 4.5Å; Y653-L711 WeakPolarHBondContact OH-CD1 2.96Å; L711-Q713 PolarHBondContact O-N 3.36Å; L711-L728 VanDerWaalsContact O-CD1 3.26Å; L711-L728 WeakPolarHBondContact O-CD1 3.46Å
712	A	92	Very high	93.5	Very high	27 Å²	27	21.5 Å²	21.5	22%	0.223	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	3.7	174.5	0	0	0	0	0	112.5	N710 N727 L728	N710-A712 PolarHBondContact O-N 2.97Å; N710-A712 WeakPolarHBondContact OD1-CB 3.21Å; N710-A712 PolarHBondContact OD1-N 3.02Å; A712-N727 WeakPolarHBondContact O-CA 3.46Å; A712-L728 PolarHBondContact O-N 2.97Å
713	Q	94.8	Very high	93.4	Very high	26 Å²	26	20.4 Å²	20.4	12%	0.121	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	152.4	-174.1	-63.2	175.9	-4.9	0	0	112.6	L707 N710 L711 L725 F726 V734	L707-Q713 HydrophobicContact CD1-CB 4.44Å; L707-Q713 HydrophobicContact CD2-CB 4.38Å; L707-Q713 PolarHBondContact N-O 3.34Å; L707-Q713 VanDerWaalsContact N-O 3.16Å; N710-Q713 VanDerWaalsContact ND2-CD 3.27Å; N710-Q713 PolarHBondContact ND2-NE2 3.06Å; N710-Q713 PolarHBondContact ND2-OE1 3.27Å; N710-Q713 PolarHBondContact O-N 3.29Å; N710-Q713 VanDerWaalsContact O-N 3.14Å; L711-Q713 PolarHBondContact O-N 3.36Å; Q713-L725 HydrophobicContact CB-CD1 3.98Å; Q713-L725 HydrophobicContact CB-CG 4.37Å; Q713-L725 VanDerWaalsContact OE1-CD2 3.31Å; Q713-F726 CarbonylContact C-O 3.56Å; Q713-F726 WeakPolarHBondContact CA-O 3.4Å; Q713-F726 WeakPolarHBondContact CB-O 3.36Å; Q713-V734 HydrophobicContact CG-CG2 4.39Å
714	F	96.3	Very high	93.3	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	148.7	169.7	74.8	-87.4	0	0	0	110	L658 Y682 I684 A704 T705 F706 A716 F726 L728	L658-F714 HydrophobicContact CD1-CD2 4.47Å; L658-F714 HydrophobicContact CD1-CE2 4.47Å; L658-F714 HydrophobicContact CD2-CB 3.91Å; L658-F714 HydrophobicContact CD2-CD2 3.73Å; L658-F714 HydrophobicContact CD2-CE2 4.43Å; L658-F714 HydrophobicContact CD2-CG 3.92Å; Y682-F714 AromaticContact CD1-CE1 3.97Å; Y682-F714 HydrophobicContact CD1-CE1 3.97Å; Y682-F714 HydrophobicContact CD1-CZ 4.25Å; Y682-F714 HydrophobicContact CE1-CE1 4.03Å; Y682-F714 HydrophobicContact CG-CE1 4.24Å; Y682-F714 HydrophobicContact CG-CZ 4.2Å; I684-F714 HydrophobicContact CG2-CE2 4.48Å; I684-F714 HydrophobicContact CG2-CZ 4.12Å; A704-F714 HydrophobicContact CB-CD2 4.4Å; T705-F714 CarbonylContact O-C 3.56Å; T705-F714 VanDerWaalsContact O-CA 3.32Å; T705-F714 WeakPolarHBondContact O-CA 3.29Å; T705-F714 WeakPolarHBondContact O-CB 3.5Å; F706-F714 HydrophobicContact CD1-CB 4.04Å; F714-A716 HydrophobicContact CE2-CB 4.28Å; F714-F726 HydrophobicContact CD1-CB 3.81Å; F714-F726 HydrophobicContact CD2-CB 4.45Å; F714-F726 HydrophobicContact CD2-CD2 4.35Å; F714-F726 HydrophobicContact CE1-CB 3.35Å; F714-F726 HydrophobicContact CE1-CG 4.15Å; F714-F726 HydrophobicContact CE2-CB 4.03Å; F714-F726 AromaticContact CE2-CD2 3.72Å; F714-F726 HydrophobicContact CE2-CD2 3.72Å; F714-F726 HydrophobicContact CE2-CG 4.11Å; F714-F726 HydrophobicContact CG-CB 4.36Å; F714-F726 HydrophobicContact CZ-CB 3.47Å; F714-F726 VanDerWaalsContact CZ-CB 3.47Å; F714-F726 AromaticContact CZ-CD2 3.86Å; F714-F726 HydrophobicContact CZ-CD2 3.86Å; F714-F726 AromaticContact CZ-CG 3.75Å; F714-F726 HydrophobicContact CZ-CG 3.75Å; F714-F726 PolarHBondContact N-O 2.83Å; F714-F726 PolarHBondContact O-N 3.4Å; F714-L728 HydrophobicContact CD1-CD2 3.4Å; F714-L728 VanDerWaalsContact CD1-CD2 3.4Å; F714-L728 HydrophobicContact CD1-CG 4.06Å; F714-L728 HydrophobicContact CE1-CD2 3.85Å; F714-L728 HydrophobicContact CG-CD2 4.42Å
715	A	96.6	Very high	93.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	143.9	173.8	0	0	0	0	0	109.8	A704 T705 L707 C724 L725 V760 I769	A704-A715 CarbonylContact C-O 3.55Å; A704-A715 WeakPolarHBondContact CA-O 3.34Å; A704-A715 WeakPolarHBondContact CB-O 3.41Å; T705-A715 HydrophobicContact CG2-CB 4.19Å; T705-A715 PolarHBondContact N-O 3.08Å; T705-A715 PolarHBondContact O-N 3.03Å; L707-A715 HydrophobicContact CD1-CB 3.97Å; A715-C724 CarbonylContact C-O 3.6Å; A715-C724 VanDerWaalsContact CA-O 3.25Å; A715-C724 WeakPolarHBondContact CA-O 3.25Å; A715-L725 HydrophobicContact CB-CD1 4.39Å; A715-V760 HydrophobicContact CB-CG1 3.94Å; A715-I769 HydrophobicContact CB-CD1 3.92Å; A715-I769 HydrophobicContact CB-CG1 4.43Å; A715-I769 HydrophobicContact CB-CG2 4.33Å
716	A	96.9	Very high	93.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	140.3	172.1	0	0	0	0	0	110.6	I684 S703 A704 F714 F718 V723 C724 F726	I684-A716 HydrophobicContact CD1-CB 4.1Å; S703-A716 CarbonylContact O-C 3.51Å; S703-A716 VanDerWaalsContact O-CA 3.27Å; S703-A716 WeakPolarHBondContact O-CA 3.5Å; A704-A716 HydrophobicContact CB-CB 4.06Å; F714-A716 HydrophobicContact CE2-CB 4.28Å; A716-F718 HydrophobicContact CB-CE2 4.21Å; A716-F718 HydrophobicContact CB-CZ 4.44Å; A716-V723 CarbonylContact O-C 3.59Å; A716-V723 WeakPolarHBondContact O-CA 3.27Å; A716-C724 PolarHBondContact N-O 3.26Å; A716-C724 PolarHBondContact O-N 3.41Å; A716-F726 HydrophobicContact CB-CD2 4.39Å; A716-F726 HydrophobicContact CB-CE2 4.05Å
717	G	95.4	Very high	93	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	151.5	171.3	0	0	0	0	0	111	P701 T702 S703	P701-G717 WeakPolarHBondContact CA-O 3.37Å; T702-G717 PolarHBondContact N-O 3Å; T702-G717 PolarHBondContact OG1-O 2.9Å; S703-G717 PolarHBondContact O-N 2.94Å
718	F	95	Very high	92.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	157	-179.1	-63.5	-95.9	0	0	0	111.7	I684 L688 T700 P701 A716 S720 G721 H722 C724 F726 V757	I684-F718 HydrophobicContact CB-CE1 4.4Å; I684-F718 HydrophobicContact CB-CZ 4.07Å; I684-F718 HydrophobicContact CD1-CE1 3.98Å; I684-F718 HydrophobicContact CD1-CZ 3.85Å; I684-F718 HydrophobicContact CG1-CE1 4.11Å; I684-F718 HydrophobicContact CG1-CZ 4.15Å; L688-F718 HydrophobicContact CD2-CB 4.36Å; L688-F718 HydrophobicContact CD2-CD1 3.84Å; L688-F718 HydrophobicContact CD2-CD2 3.74Å; L688-F718 HydrophobicContact CD2-CE1 4Å; L688-F718 HydrophobicContact CD2-CE2 3.93Å; L688-F718 HydrophobicContact CD2-CG 3.7Å; L688-F718 HydrophobicContact CD2-CZ 4.04Å; T700-F718 WeakPolarHBondContact O-CA 3.34Å; P701-F718 HydrophobicContact CB-CD1 4Å; P701-F718 HydrophobicContact CB-CE1 3.89Å; A716-F718 HydrophobicContact CB-CE2 4.21Å; A716-F718 HydrophobicContact CB-CZ 4.44Å; F718-S720 WeakPolarHBondContact CB-OG 3.2Å; F718-S720 PolarHBondContact O-N 3.48Å; F718-G721 PolarHBondContact O-N 3.41Å; F718-H722 HydrophobicContact CD2-CB 4.46Å; F718-H722 WeakPolarHBondContact CD2-O 3.33Å; F718-H722 PolarHBondContact N-O 3.19Å; F718-C724 HydrophobicContact CE2-CB 3.95Å; F718-F726 HydrophobicContact CE2-CE2 4.23Å; F718-F726 HydrophobicContact CE2-CZ 4.41Å; F718-F726 HydrophobicContact CZ-CE2 4.12Å; F718-F726 HydrophobicContact CZ-CZ 4.01Å; F718-V757 WeakPolarHBondContact O-CG2 3.47Å; F718-V757 PolarHBondContact O-N 3.33Å
719	N	92.2	Very high	92.8	Very high	53 Å²	53	25.1 Å²	25.1	28%	0.283	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-21.1	170.9	70.8	-18.6	0	0	0	113.6	S699 T700 T702 G721 S756	S699-N719 VanDerWaalsContact CA-OD1 3.26Å; S699-N719 WeakPolarHBondContact CA-OD1 3.35Å; T700-N719 PolarHBondContact N-OD1 3.39Å; T700-N719 PolarHBondContact O-N 3.15Å; T700-N719 PolarHBondContact O-OD1 2.96Å; T700-N719 PolarHBondContact OG1-ND2 3.48Å; T702-N719 HydrophobicContact CG2-CB 4.24Å; N719-G721 PolarHBondContact O-N 2.92Å; N719-S756 WeakPolarHBondContact CA-OG 3.48Å; N719-S756 VanDerWaalsContact O-CA 3.3Å; N719-S756 WeakPolarHBondContact O-CA 3.32Å
720	S	88.6	Confident	92.8	Very high	17 Å²	17	26 Å²	26	12%	0.119	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	7.4	173.7	58.2	0	0	0	0	113.2	S699 F718 H722 V754	S699-S720 WeakPolarHBondContact CB-OG 3.45Å; F718-S720 WeakPolarHBondContact CB-OG 3.2Å; F718-S720 PolarHBondContact O-N 3.48Å; S720-H722 PolarHBondContact O-CD2 3.32Å; S720-H722 VanDerWaalsContact O-CD2 3.23Å; S720-H722 PolarHBondContact O-N 3.35Å; S720-H722 VanDerWaalsContact O-N 3.11Å; S720-H722 PolarHBondContact OG-CD2 3.29Å; S720-V754 WeakPolarHBondContact O-CG1 3.38Å
721	G	88.5	Confident	92.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	75.8	-4.6	178.4	0	0	0	0	0	115	F718 N719 Y755 V757	F718-G721 PolarHBondContact O-N 3.41Å; N719-G721 PolarHBondContact O-N 2.92Å; G721-Y755 WeakPolarHBondContact CA-O 3.39Å; G721-Y755 PolarHBondContact N-O 3.02Å; G721-V757 VanDerWaalsContact C-CG2 3.49Å; G721-V757 WeakPolarHBondContact O-CG2 3.35Å
722	H	91.1	Very high	92.6	Very high	16 Å²	16	29.4 Å²	29.4	7%	0.074	15%	0.152	C	C	.	.			trans	-74.6	143.1	174.5	-71.1	-92.8	0	0	0	110.9	L688 E692 F718 S720 N736 V757	L688-H722 HydrophobicContact CD2-CB 4.11Å; E692-H722 IonicContact OE2-CE1 3.41Å; F718-H722 HydrophobicContact CD2-CB 4.46Å; F718-H722 WeakPolarHBondContact CD2-O 3.33Å; F718-H722 PolarHBondContact N-O 3.19Å; S720-H722 PolarHBondContact O-CD2 3.32Å; S720-H722 VanDerWaalsContact O-CD2 3.23Å; S720-H722 PolarHBondContact O-N 3.35Å; S720-H722 VanDerWaalsContact O-N 3.11Å; S720-H722 PolarHBondContact OG-CD2 3.29Å; H722-N736 PolarHBondContact ND1-OD1 2.63Å; H722-V757 WeakPolarHBondContact O-CG2 3.25Å
723	V	93.8	Very high	92.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	130.5	163.6	-179.3	0	0	0	0	106.4	A716 F737 V757 V760 I769	A716-V723 CarbonylContact O-C 3.59Å; A716-V723 WeakPolarHBondContact O-CA 3.27Å; V723-F737 HydrophobicContact CB-CB 4.12Å; V723-F737 HydrophobicContact CB-CD2 4.05Å; V723-F737 HydrophobicContact CG1-CD2 3.96Å; V723-F737 PolarHBondContact N-O 3.14Å; V723-F737 VanDerWaalsContact N-O 3.15Å; V723-F737 WeakPolarHBondContact O-CA 3.22Å; V723-F737 WeakPolarHBondContact O-CB 3.38Å; V723-F737 VanDerWaalsContact O-CD2 3.24Å; V723-F737 WeakPolarHBondContact O-CD2 3.45Å; V723-F737 PolarHBondContact O-N 3.32Å; V723-V757 HydrophobicContact CG2-CG1 4.21Å; V723-V757 HydrophobicContact CG2-CG2 3.94Å; V723-V760 HydrophobicContact CG1-CG1 4.15Å; V723-V760 HydrophobicContact CG1-CG2 4.33Å; V723-V760 HydrophobicContact CG2-CG2 4.24Å; V723-I769 HydrophobicContact CG1-CG2 4.29Å
724	C	94.3	Very high	92.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	145.9	178.1	-68.4	0	0	0	0	110.8	A715 A716 F718 F726 R735 N736	A715-C724 CarbonylContact C-O 3.6Å; A715-C724 VanDerWaalsContact CA-O 3.25Å; A715-C724 WeakPolarHBondContact CA-O 3.25Å; A716-C724 PolarHBondContact N-O 3.26Å; A716-C724 PolarHBondContact O-N 3.41Å; F718-C724 HydrophobicContact CE2-CB 3.95Å; C724-F726 HydrophobicContact CB-CD2 4.18Å; C724-F726 HydrophobicContact CB-CE2 3.42Å; C724-F726 VanDerWaalsContact CB-CE2 3.42Å; C724-F726 HydrophobicContact CB-CZ 3.74Å; C724-R735 CarbonylContact C-O 3.51Å; C724-R735 WeakPolarHBondContact CA-O 3.14Å; C724-N736 PolarHBondContact SG-OD1 3.33Å
725	L	94.9	Very high	92.1	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	124.2	172.4	-172.6	66.4	0	0	0	108.3	L707 Q713 A715 I733 V734 R735 F737 I769	L707-L725 HydrophobicContact CD1-CD1 3.29Å; L707-L725 HydrophobicContact CD2-CD1 3.57Å; L707-L725 HydrophobicContact CG-CD1 4.07Å; Q713-L725 HydrophobicContact CB-CD1 3.98Å; Q713-L725 HydrophobicContact CB-CG 4.37Å; Q713-L725 VanDerWaalsContact OE1-CD2 3.31Å; A715-L725 HydrophobicContact CB-CD1 4.39Å; L725-I733 CarbonylContact O-C 3.45Å; L725-I733 WeakPolarHBondContact O-CA 3.36Å; L725-V734 HydrophobicContact CB-CB 4.32Å; L725-V734 HydrophobicContact CD2-CB 4.07Å; L725-V734 HydrophobicContact CD2-CG1 4.1Å; L725-V734 HydrophobicContact CG-CB 4.1Å; L725-V734 PolarHBondContact O-N 2.89Å; L725-R735 HydrophobicContact CB-CB 4.03Å; L725-R735 HydrophobicContact CD2-CB 4.36Å; L725-R735 HydrophobicContact CD2-CG 4.3Å; L725-R735 PolarHBondContact N-O 3.07Å; L725-R735 PolarHBondContact O-N 3.48Å; L725-F737 HydrophobicContact CB-CE2 4.23Å; L725-I769 HydrophobicContact CD1-CD1 4.22Å
726	F	94.6	Very high	91.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	146.2	-179.9	-65.7	-89.9	0	0	0	110.1	I684 I687 Q713 F714 A716 F718 C724 Q732 I733	I684-F726 HydrophobicContact CB-CE1 3.93Å; I684-F726 HydrophobicContact CB-CE2 4.1Å; I684-F726 HydrophobicContact CB-CZ 3.58Å; I684-F726 HydrophobicContact CG2-CD1 3.99Å; I684-F726 HydrophobicContact CG2-CD2 4.23Å; I684-F726 HydrophobicContact CG2-CE1 3.65Å; I684-F726 HydrophobicContact CG2-CE2 3.92Å; I684-F726 HydrophobicContact CG2-CG 4.27Å; I684-F726 HydrophobicContact CG2-CZ 3.64Å; I687-F726 HydrophobicContact CG2-CE1 4.42Å; Q713-F726 CarbonylContact C-O 3.56Å; Q713-F726 WeakPolarHBondContact CA-O 3.4Å; Q713-F726 WeakPolarHBondContact CB-O 3.36Å; F714-F726 HydrophobicContact CD1-CB 3.81Å; F714-F726 HydrophobicContact CD2-CB 4.45Å; F714-F726 HydrophobicContact CD2-CD2 4.35Å; F714-F726 HydrophobicContact CE1-CB 3.35Å; F714-F726 HydrophobicContact CE1-CG 4.15Å; F714-F726 HydrophobicContact CE2-CB 4.03Å; F714-F726 AromaticContact CE2-CD2 3.72Å; F714-F726 HydrophobicContact CE2-CD2 3.72Å; F714-F726 HydrophobicContact CE2-CG 4.11Å; F714-F726 HydrophobicContact CG-CB 4.36Å; F714-F726 HydrophobicContact CZ-CB 3.47Å; F714-F726 VanDerWaalsContact CZ-CB 3.47Å; F714-F726 AromaticContact CZ-CD2 3.86Å; F714-F726 HydrophobicContact CZ-CD2 3.86Å; F714-F726 AromaticContact CZ-CG 3.75Å; F714-F726 HydrophobicContact CZ-CG 3.75Å; F714-F726 PolarHBondContact N-O 2.83Å; F714-F726 PolarHBondContact O-N 3.4Å; A716-F726 HydrophobicContact CB-CD2 4.39Å; A716-F726 HydrophobicContact CB-CE2 4.05Å; F718-F726 HydrophobicContact CE2-CE2 4.23Å; F718-F726 HydrophobicContact CE2-CZ 4.41Å; F718-F726 HydrophobicContact CZ-CE2 4.12Å; F718-F726 HydrophobicContact CZ-CZ 4.01Å; C724-F726 HydrophobicContact CB-CD2 4.18Å; C724-F726 HydrophobicContact CB-CE2 3.42Å; C724-F726 VanDerWaalsContact CB-CE2 3.42Å; C724-F726 HydrophobicContact CB-CZ 3.74Å; F726-Q732 WeakPolarHBondContact CA-O 3.26Å; F726-I733 HydrophobicContact CD1-CG1 3.76Å; F726-I733 HydrophobicContact CE1-CD1 3.99Å; F726-I733 HydrophobicContact CE1-CG1 3.26Å; F726-I733 HydrophobicContact CZ-CD1 4.2Å; F726-I733 HydrophobicContact CZ-CG1 3.8Å
727	N	93.1	Very high	91.3	Very high	28 Å²	28	38.7 Å²	38.7	15%	0.15	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	129.7	172.5	176.8	-65.4	0	0	0	109.7	A712 E729 T730 H731 Q732 V734	A712-N727 WeakPolarHBondContact O-CA 3.46Å; N727-E729 VanDerWaalsContact C-N 3.34Å; N727-E729 PolarHBondContact O-N 2.94Å; N727-E729 WeakPolarHBondContact OD1-CA 3.39Å; N727-E729 PolarHBondContact OD1-N 3.05Å; N727-T730 VanDerWaalsContact CB-OG1 3.29Å; N727-T730 WeakPolarHBondContact CB-OG1 3.12Å; N727-T730 PolarHBondContact OD1-N 3.32Å; N727-T730 PolarHBondContact OD1-OG1 3.47Å; N727-H731 WeakPolarHBondContact O-CA 3.4Å; N727-H731 PolarHBondContact O-N 2.9Å; N727-Q732 PolarHBondContact N-O 2.9Å; N727-V734 HydrophobicContact CB-CG2 3.53Å
728	L	90.2	Very high	90.5	Very high	17 Å²	17	44.4 Å²	44.4	9%	0.089	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-25.3	-175.7	-67.8	169.6	0	0	0	113.3	L668 Y682 F706 L711 A712 F714 H731	L668-L728 HydrophobicContact CD1-CD2 4.32Å; L668-L728 HydrophobicContact CD2-CD2 4.21Å; Y682-L728 VanDerWaalsContact OH-CA 3.25Å; Y682-L728 WeakPolarHBondContact OH-CA 3.46Å; Y682-L728 WeakPolarHBondContact OH-CD2 3.42Å; Y682-L728 PolarHBondContact OH-O 3.22Å; F706-L728 HydrophobicContact CD1-CD1 4.36Å; F706-L728 HydrophobicContact CE1-CD1 4.12Å; F706-L728 HydrophobicContact CE1-CD2 4.35Å; L711-L728 VanDerWaalsContact O-CD1 3.26Å; L711-L728 WeakPolarHBondContact O-CD1 3.46Å; A712-L728 PolarHBondContact O-N 2.97Å; F714-L728 HydrophobicContact CD1-CD2 3.4Å; F714-L728 VanDerWaalsContact CD1-CD2 3.4Å; F714-L728 HydrophobicContact CD1-CG 4.06Å; F714-L728 HydrophobicContact CE1-CD2 3.85Å; F714-L728 HydrophobicContact CG-CD2 4.42Å; L728-H731 PolarHBondContact O-CD2 2.99Å; L728-H731 PolarHBondContact O-NE2 3.24Å
729	E	89.3	Confident	89.3	Confident	160 Å²	160	45 Å²	45	75%	0.748	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-36.5	-178	-63.1	176.2	173.8	0	0	112.2	N727	N727-E729 VanDerWaalsContact C-N 3.34Å; N727-E729 PolarHBondContact O-N 2.94Å; N727-E729 WeakPolarHBondContact OD1-CA 3.39Å; N727-E729 PolarHBondContact OD1-N 3.05Å
730	T	90.1	Very high	88.1	Confident	77 Å²	77	45 Å²	45	47%	0.472	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-12.5	-173.5	58.6	0	0	0	0	113.5	N727 Q732	N727-T730 VanDerWaalsContact CB-OG1 3.29Å; N727-T730 WeakPolarHBondContact CB-OG1 3.12Å; N727-T730 PolarHBondContact OD1-N 3.32Å; N727-T730 PolarHBondContact OD1-OG1 3.47Å; T730-Q732 PolarHBondContact O-N 2.93Å
731	H	87.7	Confident	86.7	Confident	64 Å²	64	48.3 Å²	48.3	30%	0.296	24%	0.239	S	C	.	.			trans	58.6	24.1	-178	-54.9	-176.8	0	0	0	113.7	D680 Y682 I687 N727 L728	D680-H731 IonicContact OD1-CE1 3.96Å; D680-H731 IonicContact OD1-NE2 3.65Å; Y682-H731 HydrophobicContact CD1-CB 4.06Å; Y682-H731 HydrophobicContact CE1-CB 4.12Å; Y682-H731 AromaticContact CE1-CD2 3.3Å; Y682-H731 WeakPolarHBondContact CE1-CD2 3.46Å; Y682-H731 AromaticContact CE1-CG 3.75Å; Y682-H731 AromaticContact CE1-NE2 3.93Å; Y682-H731 AromaticContact CZ-CD2 3.7Å; Y682-H731 AromaticContact CZ-NE2 3.85Å; I687-H731 WeakPolarHBondContact CD1-O 3.34Å; N727-H731 WeakPolarHBondContact O-CA 3.4Å; N727-H731 PolarHBondContact O-N 2.9Å; L728-H731 PolarHBondContact O-CD2 2.99Å; L728-H731 PolarHBondContact O-NE2 3.24Å
732	Q	90.1	Very high	84.8	Confident	132 Å²	132	55.2 Å²	55.2	62%	0.617	27%	0.269	S	S	*	.	S	Bend	trans	-110.5	156.4	-178.9	-69.5	-178.1	18.2	0	0	111.8	F726 N727 T730 V734	F726-Q732 WeakPolarHBondContact CA-O 3.26Å; N727-Q732 PolarHBondContact N-O 2.9Å; T730-Q732 PolarHBondContact O-N 2.93Å; Q732-V734 PolarHBondContact O-N 3.42Å
733	I	90.1	Very high	82.4	Confident	34 Å²	34	59.6 Å²	59.6	17%	0.174	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	120	169.2	-66.9	172.8	0	0	0	108.2	I687 L725 F726 R735 N736	I687-I733 HydrophobicContact CB-CD1 4.47Å; I687-I733 HydrophobicContact CG2-CD1 3.65Å; I687-I733 HydrophobicContact CG2-CG1 3.69Å; L725-I733 CarbonylContact O-C 3.45Å; L725-I733 WeakPolarHBondContact O-CA 3.36Å; F726-I733 HydrophobicContact CD1-CG1 3.76Å; F726-I733 HydrophobicContact CE1-CD1 3.99Å; F726-I733 HydrophobicContact CE1-CG1 3.26Å; F726-I733 HydrophobicContact CZ-CD1 4.2Å; F726-I733 HydrophobicContact CZ-CG1 3.8Å; I733-R735 VanDerWaalsContact CG2-C 3.45Å; I733-R735 WeakPolarHBondContact CG2-O 3.31Å; I733-N736 HydrophobicContact CG2-CB 4.43Å
734	V	90.3	Very high	79.9	Confident	58 Å²	58	67 Å²	67	35%	0.352	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	-44.6	170.5	-174.3	0	0	0	0	110	Q713 L725 N727 Q732	Q713-V734 HydrophobicContact CG-CG2 4.39Å; L725-V734 HydrophobicContact CB-CB 4.32Å; L725-V734 HydrophobicContact CD2-CB 4.07Å; L725-V734 HydrophobicContact CD2-CG1 4.1Å; L725-V734 HydrophobicContact CG-CB 4.1Å; L725-V734 PolarHBondContact O-N 2.89Å; N727-V734 HydrophobicContact CB-CG2 3.53Å; Q732-V734 PolarHBondContact O-N 3.42Å
735	R	90.4	Very high	77.3	Confident	110 Å²	110	71.6 Å²	71.6	42%	0.415	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	139.2	-179.3	-67.6	-63.9	-169.2	159.6	6	110.4	C724 L725 I733 F737 L784	C724-R735 CarbonylContact C-O 3.51Å; C724-R735 WeakPolarHBondContact CA-O 3.14Å; L725-R735 HydrophobicContact CB-CB 4.03Å; L725-R735 HydrophobicContact CD2-CB 4.36Å; L725-R735 HydrophobicContact CD2-CG 4.3Å; L725-R735 PolarHBondContact N-O 3.07Å; L725-R735 PolarHBondContact O-N 3.48Å; I733-R735 VanDerWaalsContact CG2-C 3.45Å; I733-R735 WeakPolarHBondContact CG2-O 3.31Å; R735-F737 HydrophobicContact CB-CE2 4.23Å; R735-F737 HydrophobicContact CB-CZ 4.16Å; R735-L784 PolarHBondContact NH2-O 3.22Å
736	N	90.5	Very high	74.5	Confident	43 Å²	43	77.2 Å²	77.2	23%	0.23	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	122	165.1	-173.6	5.4	0	0	0	108.3	E692 H722 C724 I733	E692-N736 VanDerWaalsContact CD-ND2 3.33Å; E692-N736 WeakPolarHBondContact CG-ND2 3.42Å; E692-N736 PolarHBondContact OE1-ND2 3.31Å; H722-N736 PolarHBondContact ND1-OD1 2.63Å; C724-N736 PolarHBondContact SG-OD1 3.33Å; I733-N736 HydrophobicContact CG2-CB 4.43Å
737	F	88	Confident	71.6	Confident	2 Å²	2	82.8 Å²	82.8	1%	0.009	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	102.2	172.1	-54	-83.2	0	0	0	107.2	V723 L725 R735 I769 W781 G786	V723-F737 HydrophobicContact CB-CB 4.12Å; V723-F737 HydrophobicContact CB-CD2 4.05Å; V723-F737 HydrophobicContact CG1-CD2 3.96Å; V723-F737 PolarHBondContact N-O 3.14Å; V723-F737 VanDerWaalsContact N-O 3.15Å; V723-F737 WeakPolarHBondContact O-CA 3.22Å; V723-F737 WeakPolarHBondContact O-CB 3.38Å; V723-F737 VanDerWaalsContact O-CD2 3.24Å; V723-F737 WeakPolarHBondContact O-CD2 3.45Å; V723-F737 PolarHBondContact O-N 3.32Å; L725-F737 HydrophobicContact CB-CE2 4.23Å; R735-F737 HydrophobicContact CB-CE2 4.23Å; R735-F737 HydrophobicContact CB-CZ 4.16Å; F737-I769 HydrophobicContact CE2-CD1 3.92Å; F737-I769 HydrophobicContact CZ-CD1 4.11Å; F737-W781 HydrophobicContact CB-CD2 3.96Å; F737-W781 HydrophobicContact CB-CE3 3.65Å; F737-W781 HydrophobicContact CB-CH2 4.19Å; F737-W781 HydrophobicContact CB-CZ2 4.49Å; F737-W781 HydrophobicContact CB-CZ3 3.77Å; F737-W781 HydrophobicContact CD1-CB 3.88Å; F737-W781 HydrophobicContact CD1-CD2 4.02Å; F737-W781 AromaticContact CD1-CE3 3.6Å; F737-W781 HydrophobicContact CD1-CE3 3.6Å; F737-W781 HydrophobicContact CD1-CG 4.17Å; F737-W781 HydrophobicContact CD1-CZ3 4.38Å; F737-W781 HydrophobicContact CE1-CB 3.8Å; F737-W781 HydrophobicContact CG-CB 4.38Å; F737-W781 HydrophobicContact CG-CD2 4.11Å; F737-W781 AromaticContact CG-CE3 3.93Å; F737-W781 HydrophobicContact CG-CE3 3.93Å; F737-W781 HydrophobicContact CG-CG 4.32Å; F737-W781 HydrophobicContact CZ-CB 4.3Å; F737-G786 WeakPolarHBondContact CD1-O 3.37Å; F737-G786 VanDerWaalsContact CE1-CA 3.47Å
738	Q	76.9	Confident	68.9	Low	121 Å²	121	88.5 Å²	88.5	57%	0.565	47%	0.47	S	S	*	.			trans	-65.6	144.3	-176.9	-170.8	167.8	27.5	0	0	111.5	I740 W781	Q738-I740 PolarHBondContact O-N 3.22Å; Q738-W781 WeakPolarHBondContact O-CH2 3.37Å
739	S	70.1	Confident	66.5	Low	13 Å²	13	91.5 Å²	91.5	9%	0.091	49%	0.492	C	S	.	.			trans	-57.8	130	171.5	-174.3	0	0	0	0	110.3	N741	S739-N741 PolarHBondContact O-N 3.43Å
740	I	68.2	Low	64.1	Low	52 Å²	52	93.1 Å²	93.1	27%	0.267	50%	0.5	S	S	.	.			trans	-85.5	107.8	177.6	-61.7	169.4	0	0	0	108.1	Q738 K742 R779 W781 C788	Q738-I740 PolarHBondContact O-N 3.22Å; I740-K742 HydrophobicContact CG2-CG 3.92Å; I740-K742 PolarHBondContact O-N 3.3Å; I740-R779 PolarHBondContact O-NH2 2.77Å; I740-W781 HydrophobicContact CD1-CH2 3.92Å; I740-W781 HydrophobicContact CD1-CZ3 4.31Å; I740-W781 HydrophobicContact CG1-CH2 4.11Å; I740-C788 HydrophobicContact CD1-CB 3.62Å
741	N	57.4	Low	62	Low	86 Å²	86	95.1 Å²	95.1	46%	0.46	51%	0.507	S	S	.	.			trans	-83.4	82	171.6	-62.4	-14.4	0	0	0	109	S739 T743	S739-N741 PolarHBondContact O-N 3.43Å; N741-T743 PolarHBondContact O-N 3.39Å
742	K	49.8	Very low	60.2	Low	145 Å²	145	94.9 Å²	94.9	63%	0.63	52%	0.517	S	S	*	.			trans	-82.8	90.9	169.3	-89.9	-174.8	177.4	-172.4	0	109.7	I740	I740-K742 HydrophobicContact CG2-CG 3.92Å; I740-K742 PolarHBondContact O-N 3.3Å
743	T	41.4	Very low	58.9	Low	109 Å²	109	93.4 Å²	93.4	67%	0.669	51%	0.513	S	S	*	.			trans	-96.6	80.6	157.6	56.2	0	0	0	0	108.3	N741 V745	N741-T743 PolarHBondContact O-N 3.39Å; T743-V745 PolarHBondContact O-N 2.83Å
744	D	39.9	Very low	58.3	Low	154 Å²	154	95.5 Å²	95.5	82%	0.824	53%	0.527	S	S	*	.			trans	-81.6	14.8	166.5	-84.6	-27.4	0	0	0	112
745	V	39.7	Very low	58.3	Low	98 Å²	98	97.4 Å²	97.4	59%	0.594	53%	0.529	S	S	*	.	S	Bend	trans	-110.5	125.3	167.1	-174	0	0	0	0	107.5	T743 D747	T743-V745 PolarHBondContact O-N 2.83Å; V745-D747 PolarHBondContact O-N 2.98Å
746	S	35.9	Very low	58.4	Low	118 Å²	118	93 Å²	93	83%	0.825	52%	0.515	S	S	*	.			trans	-66.2	40.1	-177.7	54.7	0	0	0	0	114.5
747	D	35.1	Very low	58.7	Low	117 Å²	117	90.9 Å²	90.9	63%	0.626	50%	0.504	S	S	*	.			trans	-94.2	107.8	178.6	-75.7	-18.2	0	0	0	109.7	V745 S749	V745-D747 PolarHBondContact O-N 2.98Å; D747-S749 PolarHBondContact O-N 3.19Å
748	T	36.2	Very low	59.1	Low	149 Å²	149	92.7 Å²	92.7	91%	0.914	51%	0.514	S	S	*	.			trans	-59.4	31.4	173.6	26.3	0	0	0	0	115.1
749	S	40.5	Very low	60.1	Low	80 Å²	80	87.7 Å²	87.7	56%	0.559	49%	0.492	S	S	*	.			trans	-82.6	117.3	166.3	54.1	0	0	0	0	109	D747 D751	D747-S749 PolarHBondContact O-N 3.19Å; S749-D751 PolarHBondContact O-N 2.97Å
750	Q	38.7	Very low	61.4	Low	193 Å²	193	87.2 Å²	87.2	90%	0.902	49%	0.488	S	S	*	.			trans	-66.5	8.3	178.7	-70.7	179.6	-3.4	0	0	114.3	A752	Q750-A752 PolarHBondContact O-N 3.08Å
751	D	44.2	Very low	62.7	Low	119 Å²	119	85.9 Å²	85.9	64%	0.636	48%	0.482	S	S	*	.			trans	-91.3	87.5	175.8	-60.9	-28.9	0	0	0	108.4	S749 N753	S749-D751 PolarHBondContact O-N 2.97Å; D751-N753 PolarHBondContact O-N 2.87Å
752	A	51.3	Low	64.6	Low	60 Å²	60	82.4 Å²	82.4	50%	0.496	46%	0.464	S	S	.	.			trans	-60.5	90.8	164.5	0	0	0	0	0	107.9	Q750 V754	Q750-A752 PolarHBondContact O-N 3.08Å; A752-V754 PolarHBondContact O-N 2.97Å
753	N	62.3	Low	66.8	Low	101 Å²	101	75.9 Å²	75.9	54%	0.54	44%	0.435	S	S	.	.			trans	-63.7	105.6	-178.8	-76.8	-23.5	0	0	0	109.1	D751 Y755	D751-N753 PolarHBondContact O-N 2.87Å; N753-Y755 HydrophobicContact CB-CE2 4.05Å; N753-Y755 WeakPolarHBondContact O-CD2 3.27Å; N753-Y755 VanDerWaalsContact O-CE2 3.23Å; N753-Y755 WeakPolarHBondContact O-CE2 3.19Å
754	V	78.7	Confident	69.3	Low	78 Å²	78	72.2 Å²	72.2	47%	0.473	41%	0.414	S	S	.	.			trans	-82.2	125.4	174.8	175.9	0	0	0	0	108	S720 A752	S720-V754 WeakPolarHBondContact O-CG1 3.38Å; A752-V754 PolarHBondContact O-N 2.97Å
755	Y	88.4	Confident	71.7	Confident	97 Å²	97	71.1 Å²	71.1	38%	0.38	40%	0.403	S	S	.	.			trans	-105.2	130.6	-178.3	-62.5	-85.6	0	0	0	111.1	G721 N753 D774 D775	G721-Y755 WeakPolarHBondContact CA-O 3.39Å; G721-Y755 PolarHBondContact N-O 3.02Å; N753-Y755 HydrophobicContact CB-CE2 4.05Å; N753-Y755 WeakPolarHBondContact O-CD2 3.27Å; N753-Y755 VanDerWaalsContact O-CE2 3.23Å; N753-Y755 WeakPolarHBondContact O-CE2 3.19Å; Y755-D774 HydrophobicContact CD1-CB 4.38Å; Y755-D775 HydrophobicContact CD1-CB 3.76Å; Y755-D775 HydrophobicContact CD2-CB 3.7Å; Y755-D775 HydrophobicContact CE1-CB 4.13Å; Y755-D775 HydrophobicContact CE2-CB 4.07Å; Y755-D775 HydrophobicContact CG-CB 3.54Å
756	S	93.1	Very high	74.3	Confident	17 Å²	17	70.6 Å²	70.6	12%	0.119	40%	0.397	C	S	.	.			trans	-59.4	146	-179.4	-178.6	0	0	0	0	112.4	N719 H773 D774	N719-S756 WeakPolarHBondContact CA-OG 3.48Å; N719-S756 VanDerWaalsContact O-CA 3.3Å; N719-S756 WeakPolarHBondContact O-CA 3.32Å; S756-H773 VanDerWaalsContact O-CA 3.3Å; S756-H773 WeakPolarHBondContact O-CA 3.46Å; S756-D774 VanDerWaalsContact CB-OD2 3.25Å; S756-D774 WeakPolarHBondContact CB-OD2 3.48Å; S756-D774 PolarHBondContact O-N 3Å
757	V	96.1	Very high	77.1	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	127.1	162.9	-169.8	0	0	0	0	107.8	T702 F718 G721 H722 V723 V760 A772	T702-V757 WeakPolarHBondContact CB-O 3.28Å; T702-V757 WeakPolarHBondContact CG2-O 3.45Å; T702-V757 PolarHBondContact OG1-O 3.35Å; F718-V757 WeakPolarHBondContact O-CG2 3.47Å; F718-V757 PolarHBondContact O-N 3.33Å; G721-V757 VanDerWaalsContact C-CG2 3.49Å; G721-V757 WeakPolarHBondContact O-CG2 3.35Å; H722-V757 WeakPolarHBondContact O-CG2 3.25Å; V723-V757 HydrophobicContact CG2-CG1 4.21Å; V723-V757 HydrophobicContact CG2-CG2 3.94Å; V757-V760 HydrophobicContact CG1-CG2 3.51Å; V757-A772 CarbonylContact C-O 3.59Å; V757-A772 WeakPolarHBondContact CA-O 3.37Å; V757-A772 WeakPolarHBondContact CG1-O 3.48Å
758	N	97	Very high	79.9	Confident	40 Å²	40	62 Å²	62	21%	0.214	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-35.8	179.6	-62.7	-31.5	0	0	0	112.4	A772 D774 S798 V799 T800	N758-A772 PolarHBondContact N-O 2.81Å; N758-D774 PolarHBondContact ND2-OD1 3.31Å; N758-D774 PolarHBondContact OD1-OD1 3.08Å; N758-S798 PolarHBondContact ND2-OG 3.39Å; N758-V799 WeakPolarHBondContact CB-O 3.5Å; N758-V799 PolarHBondContact ND2-O 3.29Å; N758-T800 WeakPolarHBondContact CB-O 3.34Å
759	S	97.3	Very high	82.8	Confident	15 Å²	15	55 Å²	55	11%	0.105	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	141.8	-178.2	-174.4	0	0	0	0	111.1	S703 S771 A772	S703-S759 WeakPolarHBondContact OG-CA 3.41Å; S759-S771 CarbonylContact O-C 3.51Å; S759-S771 VanDerWaalsContact O-CA 3.31Å; S759-S771 WeakPolarHBondContact O-CA 3.32Å; S759-A772 PolarHBondContact O-N 2.88Å
760	V	97.3	Very high	85.5	Confident	4 Å²	4	51.1 Å²	51.1	2%	0.024	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	129	176.6	-178.3	0	0	0	0	108.5	S703 T705 A715 V723 V757 I769 I770	S703-V760 PolarHBondContact OG-N 2.83Å; T705-V760 WeakPolarHBondContact CB-O 3.28Å; T705-V760 HydrophobicContact CG2-CG1 4.09Å; T705-V760 WeakPolarHBondContact CG2-O 3.44Å; A715-V760 HydrophobicContact CB-CG1 3.94Å; V723-V760 HydrophobicContact CG1-CG1 4.15Å; V723-V760 HydrophobicContact CG1-CG2 4.33Å; V723-V760 HydrophobicContact CG2-CG2 4.24Å; V757-V760 HydrophobicContact CG1-CG2 3.51Å; V760-I769 HydrophobicContact CG1-CG2 3.48Å; V760-I769 VanDerWaalsContact CG1-CG2 3.48Å; V760-I770 WeakPolarHBondContact CA-O 3.44Å
761	I	97.2	Very high	88.2	Confident	24 Å²	24	42 Å²	42	12%	0.123	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	148.8	177.7	63.1	172	0	0	0	111.2	I769 I770 L802 L804 L811	I761-I769 WeakPolarHBondContact O-CA 3.19Å; I761-I770 HydrophobicContact CD1-CB 4.49Å; I761-I770 HydrophobicContact CG1-CB 3.89Å; I761-I770 PolarHBondContact N-O 2.93Å; I761-I770 PolarHBondContact O-N 3.33Å; I761-L802 HydrophobicContact CD1-CB 3.57Å; I761-L802 HydrophobicContact CG1-CB 4.07Å; I761-L802 HydrophobicContact CG1-CD1 4.37Å; I761-L802 HydrophobicContact CG2-CB 4.3Å; I761-L804 HydrophobicContact CD1-CD1 3.83Å; I761-L804 HydrophobicContact CD1-CG 3.59Å; I761-L804 HydrophobicContact CG1-CD1 4.38Å; I761-L811 HydrophobicContact CD1-CD1 3.83Å
762	S	96.5	Very high	90.7	Very high	12 Å²	12	36.3 Å²	36.3	8%	0.084	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	139.6	172.5	-179.7	0	0	0	0	110.4	F706 S708 L804	F706-S762 VanDerWaalsContact O-CB 3.3Å; F706-S762 WeakPolarHBondContact O-CB 3.48Å; S708-S762 PolarHBondContact N-OG 2.97Å; S762-L804 WeakPolarHBondContact O-CD1 3.43Å
763	H	96.3	Very high	92.9	Very high	8 Å²	8	33.4 Å²	33.4	4%	0.037	18%	0.178	C	C	.	.			trans	-67.3	140.1	167.2	-168	-83.6	0	0	0	110.8	H765 L766 L768 L804 G808	H763-H765 VanDerWaalsContact C-N 3.33Å; H763-H765 PolarHBondContact ND1-N 3.4Å; H763-H765 PolarHBondContact O-N 3.25Å; H763-L766 HydrophobicContact CB-CB 4.2Å; H763-L766 VanDerWaalsContact CE1-CG 3.47Å; H763-L766 WeakPolarHBondContact CE1-CG 3.37Å; H763-L766 VanDerWaalsContact ND1-CB 3.34Å; H763-L766 WeakPolarHBondContact ND1-CB 3.21Å; H763-L766 WeakPolarHBondContact ND1-CG 3.45Å; H763-L766 PolarHBondContact ND1-N 3.21Å; H763-L768 HydrophobicContact CB-CB 3.84Å; H763-L768 HydrophobicContact CB-CD2 4.45Å; H763-L768 WeakPolarHBondContact CB-O 3.43Å; H763-L768 PolarHBondContact N-O 3.18Å; H763-L804 HydrophobicContact CB-CD1 4.35Å; H763-G808 WeakPolarHBondContact NE2-CA 3.49Å; H763-G808 PolarHBondContact NE2-O 3.35Å
764	P	92.7	Very high	94.4	Very high	33 Å²	33	31.8 Å²	31.8	21%	0.214	17%	0.169	C	C	.	.	S	Bend	trans	-67.8	-28.6	-173.9	23.4	-34.5	0	0	0	114.3	S708	S708-P764 WeakPolarHBondContact CB-O 3.38Å
765	H	91.8	Very high	95.1	Very high	131 Å²	131	29.1 Å²	29.1	61%	0.606	15%	0.152	S	C	*	.	S	Bend	trans	-127.9	-9.8	-172.2	-56.1	-44.4	0	0	0	115	H763	H763-H765 VanDerWaalsContact C-N 3.33Å; H763-H765 PolarHBondContact ND1-N 3.4Å; H763-H765 PolarHBondContact O-N 3.25Å
766	L	93.2	Very high	95.4	Very high	86 Å²	86	30.5 Å²	30.5	45%	0.45	16%	0.157	S	C	.	.	S	Bend	trans	-117.3	148.3	-175	-61.1	175	0	0	0	107.2	T709 H763 L768	T709-L766 WeakPolarHBondContact CG2-O 3.42Å; H763-L766 HydrophobicContact CB-CB 4.2Å; H763-L766 VanDerWaalsContact CE1-CG 3.47Å; H763-L766 WeakPolarHBondContact CE1-CG 3.37Å; H763-L766 VanDerWaalsContact ND1-CB 3.34Å; H763-L766 WeakPolarHBondContact ND1-CB 3.21Å; H763-L766 WeakPolarHBondContact ND1-CG 3.45Å; H763-L766 PolarHBondContact ND1-N 3.21Å; L766-L768 HydrophobicContact CB-CB 4.02Å; L766-L768 PolarHBondContact O-N 3.5Å
767	S	94.3	Very high	95.5	Very high	39 Å²	39	31.2 Å²	31.2	27%	0.273	16%	0.158	S	C	.	.	S	Bend	trans	-73.2	59.3	172.5	-65.6	0	0	0	0	110.7	D782 S783	S767-D782 WeakPolarHBondContact O-CA 3.31Å; S767-S783 WeakPolarHBondContact CA-OG 3.47Å; S767-S783 VanDerWaalsContact CB-OG 3.29Å; S767-S783 WeakPolarHBondContact CB-OG 3.43Å; S767-S783 PolarHBondContact O-N 3.05Å; S767-S783 PolarHBondContact O-OG 2.71Å
768	L	94.7	Very high	95.5	Very high	17 Å²	17	31.3 Å²	31.3	9%	0.089	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	122.6	-169.4	-173.1	71.3	0	0	0	108.9	H763 L766 I770 F780 W781	H763-L768 HydrophobicContact CB-CB 3.84Å; H763-L768 HydrophobicContact CB-CD2 4.45Å; H763-L768 WeakPolarHBondContact CB-O 3.43Å; H763-L768 PolarHBondContact N-O 3.18Å; L766-L768 HydrophobicContact CB-CB 4.02Å; L766-L768 PolarHBondContact O-N 3.5Å; L768-I770 HydrophobicContact CG-CG1 4.42Å; L768-F780 HydrophobicContact CD1-CB 4.11Å; L768-F780 HydrophobicContact CD1-CD1 4.44Å; L768-F780 HydrophobicContact CD2-CD1 4.03Å; L768-F780 HydrophobicContact CG-CD1 4.41Å; L768-W781 CarbonylContact C-O 3.57Å; L768-W781 WeakPolarHBondContact CA-O 3.27Å
769	I	96.4	Very high	95.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	136.6	172.2	-63.3	163	0	0	0	107.3	L707 A715 V723 L725 F737 V760 I761 W781	L707-I769 HydrophobicContact CD1-CD1 4.45Å; A715-I769 HydrophobicContact CB-CD1 3.92Å; A715-I769 HydrophobicContact CB-CG1 4.43Å; A715-I769 HydrophobicContact CB-CG2 4.33Å; V723-I769 HydrophobicContact CG1-CG2 4.29Å; L725-I769 HydrophobicContact CD1-CD1 4.22Å; F737-I769 HydrophobicContact CE2-CD1 3.92Å; F737-I769 HydrophobicContact CZ-CD1 4.11Å; V760-I769 HydrophobicContact CG1-CG2 3.48Å; V760-I769 VanDerWaalsContact CG1-CG2 3.48Å; I761-I769 WeakPolarHBondContact O-CA 3.19Å; I769-W781 HydrophobicContact CB-CB 4.27Å; I769-W781 PolarHBondContact N-O 3.39Å; I769-W781 PolarHBondContact O-N 3.29Å
770	I	97	Very high	95.3	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.7	178.6	-47.2	175.8	0	0	0	107.6	V760 I761 L768 I778 R779 F780 L802 L804 L811 I825	V760-I770 WeakPolarHBondContact CA-O 3.44Å; I761-I770 HydrophobicContact CD1-CB 4.49Å; I761-I770 HydrophobicContact CG1-CB 3.89Å; I761-I770 PolarHBondContact N-O 2.93Å; I761-I770 PolarHBondContact O-N 3.33Å; L768-I770 HydrophobicContact CG-CG1 4.42Å; I770-I778 HydrophobicContact CG2-CG2 3.44Å; I770-I778 VanDerWaalsContact CG2-CG2 3.44Å; I770-R779 WeakPolarHBondContact CA-O 3.19Å; I770-F780 HydrophobicContact CD1-CD1 4.02Å; I770-F780 HydrophobicContact CD1-CE1 3.68Å; I770-F780 HydrophobicContact CG1-CD1 3.77Å; I770-F780 HydrophobicContact CG1-CE1 3.93Å; I770-F780 HydrophobicContact CG2-CD1 4.22Å; I770-F780 HydrophobicContact CG2-CE1 4.06Å; I770-F780 HydrophobicContact CG2-CZ 4.35Å; I770-L802 HydrophobicContact CB-CD1 4.35Å; I770-L802 HydrophobicContact CG2-CD1 3.74Å; I770-L804 HydrophobicContact CD1-CD1 4.15Å; I770-L804 HydrophobicContact CD1-CD2 4.12Å; I770-L811 HydrophobicContact CD1-CD1 4.18Å; I770-L811 HydrophobicContact CG2-CD2 4.27Å; I770-I825 HydrophobicContact CD1-CD1 4.37Å
771	S	97.1	Very high	95.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	142	178.7	60.1	0	0	0	0	111.9	S759 H773 I778 R779 W781	S759-S771 CarbonylContact O-C 3.51Å; S759-S771 VanDerWaalsContact O-CA 3.31Å; S759-S771 WeakPolarHBondContact O-CA 3.32Å; S771-H773 PolarHBondContact OG-NE2 3.17Å; S771-I778 WeakPolarHBondContact O-CA 3.49Å; S771-R779 PolarHBondContact N-O 3.1Å; S771-R779 PolarHBondContact O-N 2.93Å; S771-W781 PolarHBondContact OG-NE1 3.47Å
772	A	97.1	Very high	95.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	140.9	173.3	0	0	0	0	0	110.1	V757 N758 S759 V799 L802	V757-A772 CarbonylContact C-O 3.59Å; V757-A772 WeakPolarHBondContact CA-O 3.37Å; V757-A772 WeakPolarHBondContact CG1-O 3.48Å; N758-A772 PolarHBondContact N-O 2.81Å; S759-A772 PolarHBondContact O-N 2.88Å; A772-V799 HydrophobicContact CB-CB 3.77Å; A772-V799 HydrophobicContact CB-CG1 3.49Å; A772-V799 VanDerWaalsContact CB-CG1 3.49Å; A772-L802 HydrophobicContact CB-CD1 3.65Å; A772-L802 HydrophobicContact CB-CD2 4.11Å; A772-L802 HydrophobicContact CB-CG 3.62Å
773	H	96	Very high	94.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	160	-169.7	-63.2	-88.2	0	0	0	112.5	S756 S771 D775 R776 Q777 R779 V799	S756-H773 VanDerWaalsContact O-CA 3.3Å; S756-H773 WeakPolarHBondContact O-CA 3.46Å; S771-H773 PolarHBondContact OG-NE2 3.17Å; H773-D775 VanDerWaalsContact C-N 3.26Å; H773-D775 WeakPolarHBondContact CB-OD1 3.49Å; H773-D775 IonicContact CG-OD1 2.72Å; H773-D775 PolarHBondContact O-N 3.32Å; H773-R776 PolarHBondContact O-N 2.89Å; H773-Q777 PolarHBondContact N-O 2.94Å; H773-R779 WeakPolarHBondContact NE2-CD 3.45Å; H773-V799 PolarHBondContact O-N 3.4Å
774	D	94.8	Very high	94.6	Very high	66 Å²	66	34.7 Å²	34.7	35%	0.353	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-22.7	173.3	-82	-16.8	0	0	0	114.1	Y755 S756 N758 R776 S798	Y755-D774 HydrophobicContact CD1-CB 4.38Å; S756-D774 VanDerWaalsContact CB-OD2 3.25Å; S756-D774 WeakPolarHBondContact CB-OD2 3.48Å; S756-D774 PolarHBondContact O-N 3Å; N758-D774 PolarHBondContact ND2-OD1 3.31Å; N758-D774 PolarHBondContact OD1-OD1 3.08Å; D774-R776 PolarHBondContact O-N 3.48Å; D774-S798 WeakPolarHBondContact CA-OG 3.48Å; D774-S798 WeakPolarHBondContact OD1-CB 3.44Å; D774-S798 PolarHBondContact OD1-OG 3.45Å
775	D	93.4	Very high	94.4	Very high	23 Å²	23	35.4 Å²	35.4	12%	0.123	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	14.3	175.9	74.3	-15.6	0	0	0	113.6	Y755 H773 Q777 R779	Y755-D775 HydrophobicContact CD1-CB 3.76Å; Y755-D775 HydrophobicContact CD2-CB 3.7Å; Y755-D775 HydrophobicContact CE1-CB 4.13Å; Y755-D775 HydrophobicContact CE2-CB 4.07Å; Y755-D775 HydrophobicContact CG-CB 3.54Å; H773-D775 VanDerWaalsContact C-N 3.26Å; H773-D775 WeakPolarHBondContact CB-OD1 3.49Å; H773-D775 IonicContact CG-OD1 2.72Å; H773-D775 PolarHBondContact O-N 3.32Å; D775-Q777 PolarHBondContact O-N 3.39Å; D775-Q777 VanDerWaalsContact OD1-CB 3.27Å; D775-Q777 WeakPolarHBondContact OD1-CB 3.39Å; D775-Q777 PolarHBondContact OD1-N 2.93Å; D775-Q777 VanDerWaalsContact OD1-N 3.08Å; D775-Q777 PolarHBondContact OD2-NE2 2.99Å; D775-R779 IonicContact OD2-CZ 3.7Å; D775-R779 IonicContact OD2-NH2 3.69Å; D775-R779 PolarHBondContact OD2-NH2 3Å
776	R	95	Very high	94.2	Very high	126 Å²	126	30.1 Å²	30.1	48%	0.475	16%	0.161	S	C	.	.	S	Bend	trans	70.8	5.7	178.6	-41	165	-177.7	-179.5	-2.1	113.3	H773 D774 T793 A794 H795 L796	H773-R776 PolarHBondContact O-N 2.89Å; D774-R776 PolarHBondContact O-N 3.48Å; R776-T793 HydrophobicContact CB-CG2 4.41Å; R776-A794 PolarHBondContact O-N 2.9Å; R776-H795 WeakPolarHBondContact CB-O 3.33Å; R776-H795 PolarHBondContact O-N 3.18Å; R776-L796 WeakPolarHBondContact CD-O 3.41Å; R776-L796 VanDerWaalsContact CZ-O 3.27Å; R776-L796 PolarHBondContact NE-O 3.27Å; R776-L796 VanDerWaalsContact NE-O 3.16Å
777	Q	95.1	Very high	94	Very high	32 Å²	32	32.1 Å²	32.1	15%	0.15	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	151.5	-178.2	-60.5	-171.3	66.3	0	0	112.9	H773 D775 S791 L792	H773-Q777 PolarHBondContact N-O 2.94Å; D775-Q777 PolarHBondContact O-N 3.39Å; D775-Q777 VanDerWaalsContact OD1-CB 3.27Å; D775-Q777 WeakPolarHBondContact OD1-CB 3.39Å; D775-Q777 PolarHBondContact OD1-N 2.93Å; D775-Q777 VanDerWaalsContact OD1-N 3.08Å; D775-Q777 PolarHBondContact OD2-NE2 2.99Å; Q777-S791 PolarHBondContact OE1-OG 3.3Å; Q777-L792 CarbonylContact C-O 3.39Å; Q777-L792 WeakPolarHBondContact CA-O 3.33Å; Q777-L792 WeakPolarHBondContact CB-O 3.18Å
778	I	95.9	Very high	93.9	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.9	162.9	-65.1	172.5	0	0	0	107.6	I770 S771 F780 S791 L792 A794 V799 L802 L811	I770-I778 HydrophobicContact CG2-CG2 3.44Å; I770-I778 VanDerWaalsContact CG2-CG2 3.44Å; S771-I778 WeakPolarHBondContact O-CA 3.49Å; I778-F780 HydrophobicContact CG2-CD2 4.46Å; I778-F780 HydrophobicContact CG2-CE2 3.85Å; I778-F780 HydrophobicContact CG2-CZ 4.12Å; I778-S791 WeakPolarHBondContact O-CA 3.49Å; I778-L792 HydrophobicContact CB-CD1 4.31Å; I778-L792 HydrophobicContact CB-CG 4.47Å; I778-L792 PolarHBondContact N-O 3.45Å; I778-L792 PolarHBondContact O-N 3.15Å; I778-A794 HydrophobicContact CB-CB 4.26Å; I778-A794 HydrophobicContact CD1-CB 3.37Å; I778-A794 HydrophobicContact CG1-CB 3.54Å; I778-V799 HydrophobicContact CD1-CG1 4.36Å; I778-V799 HydrophobicContact CG1-CG1 4.14Å; I778-V799 HydrophobicContact CG1-CG2 4.35Å; I778-L802 HydrophobicContact CD1-CD2 3.66Å; I778-L802 HydrophobicContact CG1-CD2 4.06Å; I778-L802 HydrophobicContact CG2-CD1 4.47Å; I778-L811 HydrophobicContact CD1-CD2 4.23Å; I778-L811 HydrophobicContact CG2-CD2 4.16Å
779	R	95.1	Very high	93.8	Very high	1 Å²	1	34.4 Å²	34.4	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	142.9	-179.6	-60.5	-177.3	-171.4	158	-3.1	110.6	I740 I770 S771 H773 D775 W781 S791	I740-R779 PolarHBondContact O-NH2 2.77Å; I770-R779 WeakPolarHBondContact CA-O 3.19Å; S771-R779 PolarHBondContact N-O 3.1Å; S771-R779 PolarHBondContact O-N 2.93Å; H773-R779 WeakPolarHBondContact NE2-CD 3.45Å; D775-R779 IonicContact OD2-CZ 3.7Å; D775-R779 IonicContact OD2-NH2 3.69Å; D775-R779 PolarHBondContact OD2-NH2 3Å; R779-W781 HydrophobicContact CB-CZ2 3.86Å; R779-W781 HydrophobicContact CG-CZ2 4.37Å; R779-S791 WeakPolarHBondContact CG-OG 3.46Å
780	F	95.5	Very high	93.5	Very high	5 Å²	5	37.6 Å²	37.6	2%	0.022	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	119.6	-178.4	-66.4	-96.1	0	0	0	108.9	L768 I770 I778 C788 V789 H790 L792 L811 I825 K828	L768-F780 HydrophobicContact CD1-CB 4.11Å; L768-F780 HydrophobicContact CD1-CD1 4.44Å; L768-F780 HydrophobicContact CD2-CD1 4.03Å; L768-F780 HydrophobicContact CG-CD1 4.41Å; I770-F780 HydrophobicContact CD1-CD1 4.02Å; I770-F780 HydrophobicContact CD1-CE1 3.68Å; I770-F780 HydrophobicContact CG1-CD1 3.77Å; I770-F780 HydrophobicContact CG1-CE1 3.93Å; I770-F780 HydrophobicContact CG2-CD1 4.22Å; I770-F780 HydrophobicContact CG2-CE1 4.06Å; I770-F780 HydrophobicContact CG2-CZ 4.35Å; I778-F780 HydrophobicContact CG2-CD2 4.46Å; I778-F780 HydrophobicContact CG2-CE2 3.85Å; I778-F780 HydrophobicContact CG2-CZ 4.12Å; F780-C788 CarbonylContact O-C 3.58Å; F780-C788 WeakPolarHBondContact O-CA 3.41Å; F780-V789 PolarHBondContact O-N 3.37Å; F780-H790 HydrophobicContact CB-CB 4.09Å; F780-H790 HydrophobicContact CD2-CB 3.96Å; F780-H790 AromaticContact CD2-CD2 3.9Å; F780-H790 HydrophobicContact CG-CB 4.3Å; F780-H790 PolarHBondContact N-O 3.5Å; F780-H790 PolarHBondContact O-N 3.03Å; F780-L792 HydrophobicContact CE2-CD2 3.88Å; F780-L792 HydrophobicContact CE2-CG 4.46Å; F780-L811 HydrophobicContact CE1-CD2 4.49Å; F780-L811 HydrophobicContact CZ-CD2 4.06Å; F780-I825 HydrophobicContact CE1-CG2 4.45Å; F780-K828 HydrophobicContact CZ-CD 4.49Å
781	W	95	Very high	93.3	Very high	7 Å²	7	39.2 Å²	39.2	3%	0.027	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.1	-175	-49.1	92.6	0	0	0	109.8	F737 Q738 I740 L768 I769 S771 R779 S783 K787 C788	F737-W781 HydrophobicContact CB-CD2 3.96Å; F737-W781 HydrophobicContact CB-CE3 3.65Å; F737-W781 HydrophobicContact CB-CH2 4.19Å; F737-W781 HydrophobicContact CB-CZ2 4.49Å; F737-W781 HydrophobicContact CB-CZ3 3.77Å; F737-W781 HydrophobicContact CD1-CB 3.88Å; F737-W781 HydrophobicContact CD1-CD2 4.02Å; F737-W781 AromaticContact CD1-CE3 3.6Å; F737-W781 HydrophobicContact CD1-CE3 3.6Å; F737-W781 HydrophobicContact CD1-CG 4.17Å; F737-W781 HydrophobicContact CD1-CZ3 4.38Å; F737-W781 HydrophobicContact CE1-CB 3.8Å; F737-W781 HydrophobicContact CG-CB 4.38Å; F737-W781 HydrophobicContact CG-CD2 4.11Å; F737-W781 AromaticContact CG-CE3 3.93Å; F737-W781 HydrophobicContact CG-CE3 3.93Å; F737-W781 HydrophobicContact CG-CG 4.32Å; F737-W781 HydrophobicContact CZ-CB 4.3Å; Q738-W781 WeakPolarHBondContact O-CH2 3.37Å; I740-W781 HydrophobicContact CD1-CH2 3.92Å; I740-W781 HydrophobicContact CD1-CZ3 4.31Å; I740-W781 HydrophobicContact CG1-CH2 4.11Å; L768-W781 CarbonylContact C-O 3.57Å; L768-W781 WeakPolarHBondContact CA-O 3.27Å; I769-W781 HydrophobicContact CB-CB 4.27Å; I769-W781 PolarHBondContact N-O 3.39Å; I769-W781 PolarHBondContact O-N 3.29Å; S771-W781 PolarHBondContact OG-NE1 3.47Å; R779-W781 HydrophobicContact CB-CZ2 3.86Å; R779-W781 HydrophobicContact CG-CZ2 4.37Å; W781-S783 PolarHBondContact O-N 2.99Å; W781-K787 WeakPolarHBondContact CA-O 3.41Å; W781-C788 HydrophobicContact CD2-CB 4.41Å; W781-C788 HydrophobicContact CE3-CB 3.63Å; W781-C788 HydrophobicContact CH2-CB 4.16Å; W781-C788 HydrophobicContact CZ3-CB 3.5Å; W781-C788 VanDerWaalsContact CZ3-CB 3.5Å
782	D	93.7	Very high	93.1	Very high	28 Å²	28	40.5 Å²	40.5	15%	0.15	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	118.9	169.5	168	25	0	0	0	109.1	S767 L784 S785 G786 K787 V789	S767-D782 WeakPolarHBondContact O-CA 3.31Å; D782-L784 PolarHBondContact O-N 3.1Å; D782-L784 PolarHBondContact OD1-N 3.37Å; D782-S785 WeakPolarHBondContact CB-OG 3.42Å; D782-S785 VanDerWaalsContact CG-OG 3.3Å; D782-S785 WeakPolarHBondContact OD2-CB 3.21Å; D782-S785 PolarHBondContact OD2-N 3.06Å; D782-S785 PolarHBondContact OD2-OG 3.31Å; D782-G786 WeakPolarHBondContact O-CA 3.32Å; D782-G786 PolarHBondContact O-N 3.48Å; D782-K787 PolarHBondContact N-O 2.94Å; D782-V789 HydrophobicContact CB-CG2 3.53Å
783	S	92	Very high	93	Very high	10 Å²	10	45.2 Å²	45.2	7%	0.07	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-20.7	-176.2	66.1	0	0	0	0	113.3	S767 W781	S767-S783 WeakPolarHBondContact CA-OG 3.47Å; S767-S783 VanDerWaalsContact CB-OG 3.29Å; S767-S783 WeakPolarHBondContact CB-OG 3.43Å; S767-S783 PolarHBondContact O-N 3.05Å; S767-S783 PolarHBondContact O-OG 2.71Å; W781-S783 PolarHBondContact O-N 2.99Å
784	L	91.3	Very high	92.9	Very high	123 Å²	123	45.2 Å²	45.2	64%	0.644	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-53.5	178.2	-63.9	173	0	0	0	111.7	R735 D782	R735-L784 PolarHBondContact NH2-O 3.22Å; D782-L784 PolarHBondContact O-N 3.1Å; D782-L784 PolarHBondContact OD1-N 3.37Å
785	S	88.8	Confident	93	Very high	49 Å²	49	42.2 Å²	42.2	34%	0.343	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-23.5	-178.7	68.1	0	0	0	0	113.7	D782 K787	D782-S785 WeakPolarHBondContact CB-OG 3.42Å; D782-S785 VanDerWaalsContact CG-OG 3.3Å; D782-S785 WeakPolarHBondContact OD2-CB 3.21Å; D782-S785 PolarHBondContact OD2-N 3.06Å; D782-S785 PolarHBondContact OD2-OG 3.31Å; S785-K787 VanDerWaalsContact C-N 3.27Å; S785-K787 PolarHBondContact OG-N 3.06Å
786	G	86.9	Confident	93.1	Very high	20 Å²	20	47.1 Å²	47.1	21%	0.206	25%	0.251	C	S	.	.			trans	80.4	5.2	-174.8	0	0	0	0	0	113.8	F737 D782	F737-G786 WeakPolarHBondContact CD1-O 3.37Å; F737-G786 VanDerWaalsContact CE1-CA 3.47Å; D782-G786 WeakPolarHBondContact O-CA 3.32Å; D782-G786 PolarHBondContact O-N 3.48Å
787	K	89.5	Confident	93.1	Very high	127 Å²	127	43.4 Å²	43.4	55%	0.552	24%	0.241	S	C	*	.			trans	-99.3	148.8	-173.3	-64.7	-176.7	178.7	-179.3	0	111.9	W781 D782 S785 V789	W781-K787 WeakPolarHBondContact CA-O 3.41Å; D782-K787 PolarHBondContact N-O 2.94Å; S785-K787 VanDerWaalsContact C-N 3.27Å; S785-K787 PolarHBondContact OG-N 3.06Å; K787-V789 PolarHBondContact O-N 2.65Å
788	C	91.5	Very high	93.1	Very high	40 Å²	40	42.2 Å²	42.2	27%	0.27	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	111.1	163.9	-171.2	0	0	0	0	108.8	I740 F780 W781 H790	I740-C788 HydrophobicContact CD1-CB 3.62Å; F780-C788 CarbonylContact O-C 3.58Å; F780-C788 WeakPolarHBondContact O-CA 3.41Å; W781-C788 HydrophobicContact CD2-CB 4.41Å; W781-C788 HydrophobicContact CE3-CB 3.63Å; W781-C788 HydrophobicContact CH2-CB 4.16Å; W781-C788 HydrophobicContact CZ3-CB 3.5Å; W781-C788 VanDerWaalsContact CZ3-CB 3.5Å; C788-H790 PolarHBondContact SG-O 3.34Å; C788-H790 VanDerWaalsContact SG-O 3.35Å
789	V	92.2	Very high	93.2	Very high	64 Å²	64	42.2 Å²	42.2	39%	0.388	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	-38.9	178	-179.8	0	0	0	0	110.1	L455 F780 D782 K787	L455-V789 HydrophobicContact CD1-CG1 4.19Å; F780-V789 PolarHBondContact O-N 3.37Å; D782-V789 HydrophobicContact CB-CG2 3.53Å; K787-V789 PolarHBondContact O-N 2.65Å
790	H	91.7	Very high	93.3	Very high	68 Å²	68	42.9 Å²	42.9	32%	0.315	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	148.3	-175.1	-168.5	63.5	0	0	0	111.4	F780 C788	F780-H790 HydrophobicContact CB-CB 4.09Å; F780-H790 HydrophobicContact CD2-CB 3.96Å; F780-H790 AromaticContact CD2-CD2 3.9Å; F780-H790 HydrophobicContact CG-CB 4.3Å; F780-H790 PolarHBondContact N-O 3.5Å; F780-H790 PolarHBondContact O-N 3.03Å; C788-H790 PolarHBondContact SG-O 3.34Å; C788-H790 VanDerWaalsContact SG-O 3.35Å
791	S	92.3	Very high	93.4	Very high	34 Å²	34	43.5 Å²	43.5	24%	0.238	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	133.9	174.8	-165	0	0	0	0	107.7	Q777 I778 R779	Q777-S791 PolarHBondContact OE1-OG 3.3Å; I778-S791 WeakPolarHBondContact O-CA 3.49Å; R779-S791 WeakPolarHBondContact CG-OG 3.46Å
792	L	93.5	Very high	93.5	Very high	27 Å²	27	43.5 Å²	43.5	14%	0.141	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	145	177.7	64.9	88.2	0	0	0	110.4	Q777 I778 F780 A794 W823	Q777-L792 CarbonylContact C-O 3.39Å; Q777-L792 WeakPolarHBondContact CA-O 3.33Å; Q777-L792 WeakPolarHBondContact CB-O 3.18Å; I778-L792 HydrophobicContact CB-CD1 4.31Å; I778-L792 HydrophobicContact CB-CG 4.47Å; I778-L792 PolarHBondContact N-O 3.45Å; I778-L792 PolarHBondContact O-N 3.15Å; F780-L792 HydrophobicContact CE2-CD2 3.88Å; F780-L792 HydrophobicContact CE2-CG 4.46Å; L792-A794 HydrophobicContact CD1-CB 3.59Å; L792-A794 PolarHBondContact O-N 3.44Å; L792-W823 HydrophobicContact CD1-CE3 4.49Å; L792-W823 HydrophobicContact CD1-CH2 4.12Å; L792-W823 HydrophobicContact CD1-CZ3 4.08Å
793	T	94.6	Very high	93.7	Very high	99 Å²	99	43.1 Å²	43.1	61%	0.607	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.4	106.2	168.5	-54.6	0	0	0	0	108.1	R776	R776-T793 HydrophobicContact CB-CG2 4.41Å
794	A	94.1	Very high	93.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.247	C	C	.	.			trans	-90.1	-33.6	-170.1	0	0	0	0	0	112.4	R776 I778 L792 V799 R821 W823	R776-A794 PolarHBondContact O-N 2.9Å; I778-A794 HydrophobicContact CB-CB 4.26Å; I778-A794 HydrophobicContact CD1-CB 3.37Å; I778-A794 HydrophobicContact CG1-CB 3.54Å; L792-A794 HydrophobicContact CD1-CB 3.59Å; L792-A794 PolarHBondContact O-N 3.44Å; A794-V799 HydrophobicContact CB-CG2 4.24Å; A794-R821 VanDerWaalsContact O-CD 3.25Å; A794-R821 WeakPolarHBondContact O-CD 3.35Å; A794-R821 PolarHBondContact O-NH1 2.9Å; A794-W823 HydrophobicContact CB-CH2 4.29Å; A794-W823 HydrophobicContact CB-CZ2 3.8Å; A794-W823 WeakPolarHBondContact O-CH2 3.32Å; A794-W823 WeakPolarHBondContact O-CZ2 3.48Å
795	H	96	Very high	94.1	Very high	3 Å²	3	39.1 Å²	39.1	1%	0.014	22%	0.223	C	C	.	.			trans	-138.6	174.1	-169.9	-79.7	-84.1	0	0	0	111.8	R776 D797 V799 S813 S815 D817 S819	R776-H795 WeakPolarHBondContact CB-O 3.33Å; R776-H795 PolarHBondContact O-N 3.18Å; H795-D797 WeakPolarHBondContact CB-O 3.43Å; H795-V799 HydrophobicContact CB-CG2 4.16Å; H795-S813 WeakPolarHBondContact NE2-CB 3.33Å; H795-S813 PolarHBondContact NE2-OG 3.06Å; H795-S815 VanDerWaalsContact ND1-CB 3.32Å; H795-S815 WeakPolarHBondContact ND1-CB 3.36Å; H795-D817 VanDerWaalsContact CB-OD2 3.32Å; H795-D817 WeakPolarHBondContact CB-OD2 3.41Å; H795-D817 IonicContact CG-OD2 2.8Å; H795-D817 IonicContact ND1-OD1 3.26Å; H795-D817 PolarHBondContact ND1-OD1 2.89Å; H795-D817 IonicContact ND1-OD2 3.93Å; H795-D817 PolarHBondContact ND1-OD2 3.4Å; H795-S819 PolarHBondContact CE1-OG 3.44Å; H795-S819 VanDerWaalsContact CE1-OG 3.25Å; H795-S819 PolarHBondContact ND1-OG 2.94Å
796	L	94.6	Very high	94.2	Very high	125 Å²	125	40 Å²	40	65%	0.654	23%	0.229	S	C	*	.	S	Bend	trans	-90.9	-13.9	176.2	-61.1	179	0	0	0	112.9	R776 D817	R776-L796 WeakPolarHBondContact CD-O 3.41Å; R776-L796 VanDerWaalsContact CZ-O 3.27Å; R776-L796 PolarHBondContact NE-O 3.27Å; R776-L796 VanDerWaalsContact NE-O 3.16Å; L796-D817 HydrophobicContact CB-CB 4.09Å; L796-D817 PolarHBondContact N-OD2 3.09Å
797	D	95	Very high	94.3	Very high	48 Å²	48	46.3 Å²	46.3	26%	0.257	25%	0.251	S	S	.	.	S	Bend	trans	-137.4	177.8	177.3	-153.4	-12.6	0	0	0	109.5	H795 V799 S815 H816 D817 K839	H795-D797 WeakPolarHBondContact CB-O 3.43Å; D797-V799 PolarHBondContact O-N 2.86Å; D797-S815 VanDerWaalsContact C-OG 3.27Å; D797-S815 PolarHBondContact O-OG 3.34Å; D797-H816 HydrophobicContact CB-CB 4.21Å; D797-D817 HydrophobicContact CB-CB 3.79Å; D797-K839 IonicContact OD2-NZ 3.58Å; D797-K839 PolarHBondContact OD2-NZ 3.29Å
798	S	96.1	Very high	94.5	Very high	8 Å²	8	40.4 Å²	40.4	6%	0.056	23%	0.226	C	C	.	.			trans	-47.8	134.8	-178.2	170.5	0	0	0	0	112.3	N758 D774 S815 H816	N758-S798 PolarHBondContact ND2-OG 3.39Å; D774-S798 WeakPolarHBondContact CA-OG 3.48Å; D774-S798 WeakPolarHBondContact OD1-CB 3.44Å; D774-S798 PolarHBondContact OD1-OG 3.45Å; S798-S815 WeakPolarHBondContact O-CA 3.21Å; S798-S815 WeakPolarHBondContact O-CB 3.07Å; S798-S815 PolarHBondContact O-OG 2.98Å; S798-H816 PolarHBondContact O-N 3.37Å
799	V	97.7	Very high	94.6	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	114.6	175	-169.6	0	0	0	0	107.6	N758 A772 H773 I778 A794 H795 D797 L802 A814	N758-V799 WeakPolarHBondContact CB-O 3.5Å; N758-V799 PolarHBondContact ND2-O 3.29Å; A772-V799 HydrophobicContact CB-CB 3.77Å; A772-V799 HydrophobicContact CB-CG1 3.49Å; A772-V799 VanDerWaalsContact CB-CG1 3.49Å; H773-V799 PolarHBondContact O-N 3.4Å; I778-V799 HydrophobicContact CD1-CG1 4.36Å; I778-V799 HydrophobicContact CG1-CG1 4.14Å; I778-V799 HydrophobicContact CG1-CG2 4.35Å; A794-V799 HydrophobicContact CB-CG2 4.24Å; H795-V799 HydrophobicContact CB-CG2 4.16Å; D797-V799 PolarHBondContact O-N 2.86Å; V799-L802 HydrophobicContact CG1-CD2 4.11Å; V799-A814 CarbonylContact C-O 3.46Å; V799-A814 WeakPolarHBondContact CA-O 3.18Å; V799-A814 WeakPolarHBondContact CG1-O 2.95Å
800	T	97.1	Very high	94.7	Very high	16 Å²	16	39.7 Å²	39.7	10%	0.098	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-39.5	-169.3	52.7	0	0	0	0	112.2	N758 A814 H816 I845	N758-T800 WeakPolarHBondContact CB-O 3.34Å; T800-A814 PolarHBondContact N-O 3.42Å; T800-A814 PolarHBondContact OG1-O 3.42Å; T800-H816 WeakPolarHBondContact CG2-CE1 3.49Å; T800-H816 WeakPolarHBondContact CG2-ND1 3.41Å; T800-H816 WeakPolarHBondContact CG2-NE2 3.21Å; T800-I845 WeakPolarHBondContact CB-O 3.26Å; T800-I845 WeakPolarHBondContact CG2-O 3.48Å; T800-I845 PolarHBondContact OG1-O 3.19Å
801	T	97.8	Very high	95	Very high	17 Å²	17	36.5 Å²	36.5	10%	0.104	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	157.1	-171.2	-175.7	0	0	0	0	112	A814 N846 V848	T801-A814 HydrophobicContact CG2-CB 3.88Å; T801-A814 PolarHBondContact O-N 3.07Å; T801-N846 WeakPolarHBondContact CG2-O 3.41Å; T801-V848 HydrophobicContact CG2-CB 4.22Å; T801-V848 HydrophobicContact CG2-CG1 4.13Å; T801-V848 HydrophobicContact CG2-CG2 3.64Å
802	L	98	Very high	95.3	Very high	8 Å²	8	34.9 Å²	34.9	4%	0.042	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	146.6	179.8	-60	173.2	0	0	0	110.3	I761 I770 A772 I778 V799 L811 L812	I761-L802 HydrophobicContact CD1-CB 3.57Å; I761-L802 HydrophobicContact CG1-CB 4.07Å; I761-L802 HydrophobicContact CG1-CD1 4.37Å; I761-L802 HydrophobicContact CG2-CB 4.3Å; I770-L802 HydrophobicContact CB-CD1 4.35Å; I770-L802 HydrophobicContact CG2-CD1 3.74Å; A772-L802 HydrophobicContact CB-CD1 3.65Å; A772-L802 HydrophobicContact CB-CD2 4.11Å; A772-L802 HydrophobicContact CB-CG 3.62Å; I778-L802 HydrophobicContact CD1-CD2 3.66Å; I778-L802 HydrophobicContact CG1-CD2 4.06Å; I778-L802 HydrophobicContact CG2-CD1 4.47Å; V799-L802 HydrophobicContact CG1-CD2 4.11Å; L802-L811 HydrophobicContact CB-CD1 4.25Å; L802-L811 HydrophobicContact CD2-CD1 4.26Å; L802-L812 CarbonylContact C-O 3.59Å; L802-L812 VanDerWaalsContact CA-O 3.29Å; L802-L812 WeakPolarHBondContact CA-O 3.02Å
803	S	97.5	Very high	95.5	Very high	19 Å²	19	33.6 Å²	33.6	13%	0.133	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	144.5	169	-177.6	0	0	0	0	111	L812 F850	S803-L812 PolarHBondContact N-O 2.91Å; S803-L812 WeakPolarHBondContact O-CB 3.41Å; S803-L812 PolarHBondContact O-N 3.21Å; S803-F850 PolarHBondContact OG-N 3.45Å
804	L	96.7	Very high	95.6	Very high	25 Å²	25	28.9 Å²	28.9	13%	0.131	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	145.9	174	-73.9	167.2	0	0	0	111.2	I761 S762 H763 I770 L811 I825	I761-L804 HydrophobicContact CD1-CD1 3.83Å; I761-L804 HydrophobicContact CD1-CG 3.59Å; I761-L804 HydrophobicContact CG1-CD1 4.38Å; S762-L804 WeakPolarHBondContact O-CD1 3.43Å; H763-L804 HydrophobicContact CB-CD1 4.35Å; I770-L804 HydrophobicContact CD1-CD1 4.15Å; I770-L804 HydrophobicContact CD1-CD2 4.12Å; L804-L811 HydrophobicContact CD2-CB 4.11Å; L804-L811 HydrophobicContact CD2-CD1 3.86Å; L804-L811 HydrophobicContact CG-CD1 4.26Å; L804-I825 HydrophobicContact CD2-CD1 3.13Å; L804-I825 HydrophobicContact CD2-CG1 4.41Å
805	N	94.4	Very high	95.8	Very high	24 Å²	24	28.9 Å²	28.9	13%	0.128	16%	0.158	C	C	.	.			trans	-71	162.7	166.7	74.2	-19.3	0	0	0	110.2	K807 G808 T809 L810 F850	N805-K807 PolarHBondContact O-N 3.38Å; N805-K807 VanDerWaalsContact O-N 3.09Å; N805-G808 PolarHBondContact O-N 3.23Å; N805-G808 WeakPolarHBondContact OD1-CA 3.49Å; N805-G808 PolarHBondContact OD1-N 3.33Å; N805-T809 PolarHBondContact ND2-OG1 3.16Å; N805-T809 PolarHBondContact OD1-N 3.4Å; N805-L810 HydrophobicContact CB-CB 4.3Å; N805-L810 PolarHBondContact N-O 2.89Å; N805-L810 VanDerWaalsContact N-O 3.11Å; N805-L810 PolarHBondContact OD1-N 3.23Å; N805-L810 PolarHBondContact OD1-O 3.49Å; N805-F850 HydrophobicContact CB-CD1 4.31Å; N805-F850 HydrophobicContact CB-CD2 4Å; N805-F850 HydrophobicContact CB-CE2 4.14Å; N805-F850 HydrophobicContact CB-CG 4.06Å; N805-F850 HydrophobicContact CB-CZ 4.43Å
806	S	90.8	Very high	95.8	Very high	69 Å²	69	30.2 Å²	30.2	48%	0.483	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-24.5	-176.6	48.1	0	0	0	0	115.2	P852	S806-P852 WeakPolarHBondContact CB-O 3.24Å; S806-P852 PolarHBondContact OG-O 2.89Å
807	K	90	Very high	95.9	Very high	151 Å²	151	26 Å²	26	66%	0.657	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-14.8	175.2	-62.3	-177.2	-178.9	176.1	0	113.3	N805 T809	N805-K807 PolarHBondContact O-N 3.38Å; N805-K807 VanDerWaalsContact O-N 3.09Å; K807-T809 VanDerWaalsContact C-N 3.28Å; K807-T809 HydrophobicContact CB-CG2 3.99Å; K807-T809 PolarHBondContact O-N 3.05Å
808	G	92.5	Very high	96	Very high	3 Å²	3	24.8 Å²	24.8	3%	0.031	14%	0.137	C	C	.	.	S	Bend	trans	67.4	23.5	-171.4	0	0	0	0	0	114.1	H763 N805 I825	H763-G808 WeakPolarHBondContact NE2-CA 3.49Å; H763-G808 PolarHBondContact NE2-O 3.35Å; N805-G808 PolarHBondContact O-N 3.23Å; N805-G808 WeakPolarHBondContact OD1-CA 3.49Å; N805-G808 PolarHBondContact OD1-N 3.33Å; G808-I825 WeakPolarHBondContact O-CD1 3.45Å
809	T	93.7	Very high	95.9	Very high	52 Å²	52	24.5 Å²	24.5	32%	0.319	14%	0.135	S	C	.	.			trans	-93.3	-32.6	178.4	60.9	0	0	0	0	112.5	N805 K807 I825	N805-T809 PolarHBondContact ND2-OG1 3.16Å; N805-T809 PolarHBondContact OD1-N 3.4Å; K807-T809 VanDerWaalsContact C-N 3.28Å; K807-T809 HydrophobicContact CB-CG2 3.99Å; K807-T809 PolarHBondContact O-N 3.05Å; T809-I825 PolarHBondContact O-N 3Å
810	L	95.7	Very high	95.9	Very high	37 Å²	37	24.6 Å²	24.6	19%	0.194	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129.9	-177.2	-61.2	177.4	0	0	0	109.5	N805 I822 W823 I831 F850	N805-L810 HydrophobicContact CB-CB 4.3Å; N805-L810 PolarHBondContact N-O 2.89Å; N805-L810 VanDerWaalsContact N-O 3.11Å; N805-L810 PolarHBondContact OD1-N 3.23Å; N805-L810 PolarHBondContact OD1-O 3.49Å; L810-I822 HydrophobicContact CB-CG2 4.46Å; L810-I822 HydrophobicContact CD2-CG2 4.35Å; L810-W823 CarbonylContact C-O 3.47Å; L810-W823 WeakPolarHBondContact CA-O 3.49Å; L810-I831 HydrophobicContact CD2-CD1 3.37Å; L810-F850 HydrophobicContact CB-CE2 4.31Å; L810-F850 HydrophobicContact CB-CZ 4.11Å
811	L	97.5	Very high	95.9	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	129	171	174.3	70.2	0	0	0	108.7	I761 I770 I778 F780 L802 L804 I822 W823 I825	I761-L811 HydrophobicContact CD1-CD1 3.83Å; I770-L811 HydrophobicContact CD1-CD1 4.18Å; I770-L811 HydrophobicContact CG2-CD2 4.27Å; I778-L811 HydrophobicContact CD1-CD2 4.23Å; I778-L811 HydrophobicContact CG2-CD2 4.16Å; F780-L811 HydrophobicContact CE1-CD2 4.49Å; F780-L811 HydrophobicContact CZ-CD2 4.06Å; L802-L811 HydrophobicContact CB-CD1 4.25Å; L802-L811 HydrophobicContact CD2-CD1 4.26Å; L804-L811 HydrophobicContact CD2-CB 4.11Å; L804-L811 HydrophobicContact CD2-CD1 3.86Å; L804-L811 HydrophobicContact CG-CD1 4.26Å; L811-I822 CarbonylContact O-C 3.43Å; L811-I822 WeakPolarHBondContact O-CA 3.49Å; L811-W823 HydrophobicContact CB-CB 4.21Å; L811-W823 PolarHBondContact N-O 3.17Å; L811-W823 PolarHBondContact O-N 2.75Å; L811-I825 HydrophobicContact CB-CD1 3.99Å; L811-I825 HydrophobicContact CB-CG1 3.81Å
812	L	97.5	Very high	95.9	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	129.3	171.1	-169.9	62.3	0	0	0	108	L802 S803 I820 I822 V848 F850 M857	L802-L812 CarbonylContact C-O 3.59Å; L802-L812 VanDerWaalsContact CA-O 3.29Å; L802-L812 WeakPolarHBondContact CA-O 3.02Å; S803-L812 PolarHBondContact N-O 2.91Å; S803-L812 WeakPolarHBondContact O-CB 3.41Å; S803-L812 PolarHBondContact O-N 3.21Å; L812-I820 HydrophobicContact CD1-CG2 3.29Å; L812-I820 HydrophobicContact CG-CG2 4.05Å; L812-I822 HydrophobicContact CD1-CG1 3.95Å; L812-V848 HydrophobicContact CB-CG2 4.43Å; L812-V848 HydrophobicContact CD2-CB 3.68Å; L812-V848 HydrophobicContact CD2-CG1 4.36Å; L812-V848 HydrophobicContact CD2-CG2 3.97Å; L812-V848 HydrophobicContact CG-CB 4.07Å; L812-V848 HydrophobicContact CG-CG1 4.49Å; L812-V848 HydrophobicContact CG-CG2 3.95Å; L812-F850 HydrophobicContact CB-CD2 4.01Å; L812-F850 HydrophobicContact CB-CE2 3.49Å; L812-F850 VanDerWaalsContact CB-CE2 3.49Å; L812-F850 HydrophobicContact CB-CZ 4.07Å; L812-F850 HydrophobicContact CD2-CD2 4.45Å; L812-F850 HydrophobicContact CD2-CE2 4.38Å; L812-F850 HydrophobicContact CG-CE2 4.47Å; L812-M857 HydrophobicContact CD1-SD 3.84Å; L812-M857 HydrophobicContact CD2-CB 4.08Å; L812-M857 HydrophobicContact CD2-SD 4.26Å
813	S	97.9	Very high	95.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	148.5	171.6	64.8	0	0	0	0	110.5	H795 I820 R821 W823	H795-S813 WeakPolarHBondContact NE2-CB 3.33Å; H795-S813 PolarHBondContact NE2-OG 3.06Å; S813-I820 CarbonylContact O-C 3.51Å; S813-I820 WeakPolarHBondContact O-CA 3.34Å; S813-R821 PolarHBondContact N-O 3.01Å; S813-R821 PolarHBondContact O-N 3.41Å; S813-W823 PolarHBondContact OG-NE1 3.17Å
814	A	97.8	Very high	95.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	160.1	170.9	0	0	0	0	0	111.6	V799 T800 T801 I845 V848	V799-A814 CarbonylContact C-O 3.46Å; V799-A814 WeakPolarHBondContact CA-O 3.18Å; V799-A814 WeakPolarHBondContact CG1-O 2.95Å; T800-A814 PolarHBondContact N-O 3.42Å; T800-A814 PolarHBondContact OG1-O 3.42Å; T801-A814 HydrophobicContact CG2-CB 3.88Å; T801-A814 PolarHBondContact O-N 3.07Å; A814-I845 HydrophobicContact CB-CB 3.89Å; A814-I845 HydrophobicContact CB-CD1 4.25Å; A814-I845 HydrophobicContact CB-CG2 3.45Å; A814-I845 VanDerWaalsContact CB-CG2 3.45Å; A814-V848 HydrophobicContact CB-CG1 3.44Å; A814-V848 VanDerWaalsContact CB-CG1 3.44Å
815	S	97.6	Very high	95.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	163.2	-172.4	172.5	0	0	0	0	112.5	H795 D797 S798 D817 C818 S819	H795-S815 VanDerWaalsContact ND1-CB 3.32Å; H795-S815 WeakPolarHBondContact ND1-CB 3.36Å; D797-S815 VanDerWaalsContact C-OG 3.27Å; D797-S815 PolarHBondContact O-OG 3.34Å; S798-S815 WeakPolarHBondContact O-CA 3.21Å; S798-S815 WeakPolarHBondContact O-CB 3.07Å; S798-S815 PolarHBondContact O-OG 2.98Å; S815-D817 WeakPolarHBondContact CB-OD1 3.48Å; S815-D817 PolarHBondContact O-N 3.19Å; S815-D817 PolarHBondContact OG-N 3.45Å; S815-D817 VanDerWaalsContact OG-N 3.1Å; S815-D817 PolarHBondContact OG-OD1 3.3Å; S815-C818 PolarHBondContact O-N 3.41Å; S815-S819 PolarHBondContact N-O 2.97Å
816	H	97.1	Very high	95.5	Very high	31 Å²	31	30 Å²	30	14%	0.144	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-3.2	166.4	-66.7	-36.7	0	0	0	114.2	D797 S798 T800 C818 K839 E843 A844	D797-H816 HydrophobicContact CB-CB 4.21Å; S798-H816 PolarHBondContact O-N 3.37Å; T800-H816 WeakPolarHBondContact CG2-CE1 3.49Å; T800-H816 WeakPolarHBondContact CG2-ND1 3.41Å; T800-H816 WeakPolarHBondContact CG2-NE2 3.21Å; H816-C818 PolarHBondContact O-N 2.84Å; H816-K839 WeakPolarHBondContact O-CE 3.33Å; H816-K839 PolarHBondContact O-NZ 3.43Å; H816-E843 WeakPolarHBondContact ND1-CA 3.5Å; H816-A844 PolarHBondContact ND1-N 3.41Å; H816-A844 VanDerWaalsContact ND1-N 3.18Å
817	D	95.9	Very high	95.5	Very high	35 Å²	35	30.5 Å²	30.5	19%	0.187	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	5	168.7	72.5	10.5	0	0	0	113.7	H795 L796 D797 S815 S819	H795-D817 VanDerWaalsContact CB-OD2 3.32Å; H795-D817 WeakPolarHBondContact CB-OD2 3.41Å; H795-D817 IonicContact CG-OD2 2.8Å; H795-D817 IonicContact ND1-OD1 3.26Å; H795-D817 PolarHBondContact ND1-OD1 2.89Å; H795-D817 IonicContact ND1-OD2 3.93Å; H795-D817 PolarHBondContact ND1-OD2 3.4Å; L796-D817 HydrophobicContact CB-CB 4.09Å; L796-D817 PolarHBondContact N-OD2 3.09Å; D797-D817 HydrophobicContact CB-CB 3.79Å; S815-D817 WeakPolarHBondContact CB-OD1 3.48Å; S815-D817 PolarHBondContact O-N 3.19Å; S815-D817 PolarHBondContact OG-N 3.45Å; S815-D817 VanDerWaalsContact OG-N 3.1Å; S815-D817 PolarHBondContact OG-OD1 3.3Å; D817-S819 VanDerWaalsContact CG-OG 3.23Å; D817-S819 PolarHBondContact O-N 3.46Å; D817-S819 WeakPolarHBondContact OD1-CA 3.45Å; D817-S819 VanDerWaalsContact OD1-CB 3.25Å; D817-S819 WeakPolarHBondContact OD1-CB 3.47Å; D817-S819 PolarHBondContact OD1-N 2.97Å; D817-S819 PolarHBondContact OD1-OG 3.31Å; D817-S819 PolarHBondContact OD2-OG 2.98Å
818	C	95.9	Very high	95.5	Very high	24 Å²	24	26.4 Å²	26.4	16%	0.162	14%	0.139	C	C	.	.	S	Bend	trans	69.9	6.8	-178.8	-51.4	0	0	0	0	115.3	S815 H816 H837 A844	S815-C818 PolarHBondContact O-N 3.41Å; H816-C818 PolarHBondContact O-N 2.84Å; C818-H837 WeakPolarHBondContact CB-O 3.42Å; C818-A844 HydrophobicContact CB-CB 4.29Å; C818-A844 VanDerWaalsContact SG-CB 3.51Å
819	S	95.9	Very high	95.5	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.007	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	147.8	179.6	79.1	0	0	0	0	112.8	H795 S815 D817 I845	H795-S819 PolarHBondContact CE1-OG 3.44Å; H795-S819 VanDerWaalsContact CE1-OG 3.25Å; H795-S819 PolarHBondContact ND1-OG 2.94Å; S815-S819 PolarHBondContact N-O 2.97Å; D817-S819 VanDerWaalsContact CG-OG 3.23Å; D817-S819 PolarHBondContact O-N 3.46Å; D817-S819 WeakPolarHBondContact OD1-CA 3.45Å; D817-S819 VanDerWaalsContact OD1-CB 3.25Å; D817-S819 WeakPolarHBondContact OD1-CB 3.47Å; D817-S819 PolarHBondContact OD1-N 2.97Å; D817-S819 PolarHBondContact OD1-OG 3.31Å; D817-S819 PolarHBondContact OD2-OG 2.98Å; S819-I845 WeakPolarHBondContact O-CD1 3.29Å
820	I	97.4	Very high	95.5	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.5	167.9	-55.5	160.3	0	0	0	106.1	L812 S813 E833 I834 I845 S859 Y869	L812-I820 HydrophobicContact CD1-CG2 3.29Å; L812-I820 HydrophobicContact CG-CG2 4.05Å; S813-I820 CarbonylContact O-C 3.51Å; S813-I820 WeakPolarHBondContact O-CA 3.34Å; I820-E833 CarbonylContact O-C 3.58Å; I820-E833 WeakPolarHBondContact O-CA 3.4Å; I820-I834 HydrophobicContact CB-CB 4.46Å; I820-I834 PolarHBondContact N-O 3.46Å; I820-I834 PolarHBondContact O-N 2.94Å; I820-I845 HydrophobicContact CD1-CD1 4.46Å; I820-I845 HydrophobicContact CG1-CD1 3.63Å; I820-S859 VanDerWaalsContact CD1-CB 3.41Å; I820-S859 VanDerWaalsContact CD1-OG 3.27Å; I820-S859 WeakPolarHBondContact CD1-OG 3.34Å; I820-Y869 HydrophobicContact CD1-CE2 3.93Å; I820-Y869 WeakPolarHBondContact CD1-OH 3.39Å
821	R	97.1	Very high	95.5	Very high	41 Å²	41	34.2 Å²	34.2	16%	0.155	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	138.7	179.8	-71.4	-179.9	174.6	-170.1	-4	110.8	A794 S813 W823 Q832 E833	A794-R821 VanDerWaalsContact O-CD 3.25Å; A794-R821 WeakPolarHBondContact O-CD 3.35Å; A794-R821 PolarHBondContact O-NH1 2.9Å; S813-R821 PolarHBondContact N-O 3.01Å; S813-R821 PolarHBondContact O-N 3.41Å; R821-W823 HydrophobicContact CB-CZ2 3.81Å; R821-W823 HydrophobicContact CG-CZ2 4.32Å; R821-Q832 WeakPolarHBondContact CA-O 3.44Å; R821-E833 HydrophobicContact CG-CB 4.23Å; R821-E833 HydrophobicContact CG-CG 4.03Å; R821-E833 IonicContact CZ-OE2 3.81Å; R821-E833 VanDerWaalsContact CZ-OE2 3.26Å; R821-E833 IonicContact NE-OE2 3.33Å; R821-E833 PolarHBondContact NE-OE2 3.43Å; R821-E833 VanDerWaalsContact NE-OE2 3.1Å; R821-E833 IonicContact NH2-OE1 2.66Å; R821-E833 IonicContact NH2-OE2 2.88Å; R821-E833 PolarHBondContact NH2-OE2 3.48Å
822	I	97	Very high	95.4	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123.5	178.7	-47.2	178.4	0	0	0	107.6	W512 L810 L811 L812 C830 I831 Q832 M857	W512-I822 HydrophobicContact CB-CD1 4.17Å; W512-I822 HydrophobicContact CD2-CD1 4.45Å; W512-I822 HydrophobicContact CG-CD1 3.69Å; L810-I822 HydrophobicContact CB-CG2 4.46Å; L810-I822 HydrophobicContact CD2-CG2 4.35Å; L811-I822 CarbonylContact O-C 3.43Å; L811-I822 WeakPolarHBondContact O-CA 3.49Å; L812-I822 HydrophobicContact CD1-CG1 3.95Å; I822-C830 CarbonylContact O-C 3.59Å; I822-I831 HydrophobicContact CG2-CD1 4.32Å; I822-I831 PolarHBondContact O-N 3.34Å; I822-Q832 HydrophobicContact CB-CB 4.47Å; I822-Q832 HydrophobicContact CD1-CB 4.15Å; I822-Q832 HydrophobicContact CG1-CB 4.43Å; I822-Q832 PolarHBondContact N-O 3.33Å; I822-M857 HydrophobicContact CD1-CE 3.89Å; I822-M857 HydrophobicContact CD1-SD 3.95Å; I822-M857 HydrophobicContact CG1-SD 4.49Å
823	W	96.8	Very high	95.3	Very high	22 Å²	22	40.4 Å²	40.4	8%	0.083	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	139.8	-175.7	-49.3	82.3	0	0	0	110.2	L792 A794 L810 L811 S813 R821 L829 C830	L792-W823 HydrophobicContact CD1-CE3 4.49Å; L792-W823 HydrophobicContact CD1-CH2 4.12Å; L792-W823 HydrophobicContact CD1-CZ3 4.08Å; A794-W823 HydrophobicContact CB-CH2 4.29Å; A794-W823 HydrophobicContact CB-CZ2 3.8Å; A794-W823 WeakPolarHBondContact O-CH2 3.32Å; A794-W823 WeakPolarHBondContact O-CZ2 3.48Å; L810-W823 CarbonylContact C-O 3.47Å; L810-W823 WeakPolarHBondContact CA-O 3.49Å; L811-W823 HydrophobicContact CB-CB 4.21Å; L811-W823 PolarHBondContact N-O 3.17Å; L811-W823 PolarHBondContact O-N 2.75Å; S813-W823 PolarHBondContact OG-NE1 3.17Å; R821-W823 HydrophobicContact CB-CZ2 3.81Å; R821-W823 HydrophobicContact CG-CZ2 4.32Å; W823-L829 WeakPolarHBondContact CA-O 3.43Å; W823-C830 HydrophobicContact CD2-CB 4.24Å; W823-C830 HydrophobicContact CE3-CB 3.71Å; W823-C830 HydrophobicContact CH2-CB 3.9Å; W823-C830 HydrophobicContact CZ2-CB 4.4Å; W823-C830 HydrophobicContact CZ3-CB 3.54Å
824	D	95	Very high	95.2	Very high	35 Å²	35	41.5 Å²	41.5	19%	0.187	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	121	163.1	175.2	9.4	0	0	0	108.8	N826 T827 K828 L829 I831	D824-N826 VanDerWaalsContact C-N 3.25Å; D824-N826 PolarHBondContact O-N 2.71Å; D824-N826 WeakPolarHBondContact OD1-CB 3.39Å; D824-N826 PolarHBondContact OD1-N 2.75Å; D824-T827 VanDerWaalsContact CB-OG1 3.25Å; D824-T827 WeakPolarHBondContact CB-OG1 3.35Å; D824-T827 WeakPolarHBondContact OD2-CB 3.49Å; D824-T827 WeakPolarHBondContact OD2-CG2 3.38Å; D824-T827 PolarHBondContact OD2-N 3.03Å; D824-T827 PolarHBondContact OD2-OG1 2.84Å; D824-K828 WeakPolarHBondContact O-CA 3.49Å; D824-K828 PolarHBondContact O-N 3.32Å; D824-L829 PolarHBondContact N-O 3.37Å; D824-I831 HydrophobicContact CB-CD1 3.91Å; D824-I831 HydrophobicContact CB-CG1 4.17Å
825	I	93.5	Very high	95	Very high	7 Å²	7	46.5 Å²	46.5	4%	0.036	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-28.9	-178.4	-63.1	178.3	0	0	0	111.4	I770 F780 L804 G808 T809 L811 K828	I770-I825 HydrophobicContact CD1-CD1 4.37Å; F780-I825 HydrophobicContact CE1-CG2 4.45Å; L804-I825 HydrophobicContact CD2-CD1 3.13Å; L804-I825 HydrophobicContact CD2-CG1 4.41Å; G808-I825 WeakPolarHBondContact O-CD1 3.45Å; T809-I825 PolarHBondContact O-N 3Å; L811-I825 HydrophobicContact CB-CD1 3.99Å; L811-I825 HydrophobicContact CB-CG1 3.81Å; I825-K828 VanDerWaalsContact O-CD 3.25Å; I825-K828 WeakPolarHBondContact O-CD 3.37Å; I825-K828 WeakPolarHBondContact O-CE 3.47Å; I825-K828 PolarHBondContact O-NZ 2.84Å
826	N	92	Very high	94.3	Very high	118 Å²	118	47.4 Å²	47.4	63%	0.631	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-45.9	-177.6	-61.9	-50.8	0	0	0	111.1	D824	D824-N826 VanDerWaalsContact C-N 3.25Å; D824-N826 PolarHBondContact O-N 2.71Å; D824-N826 WeakPolarHBondContact OD1-CB 3.39Å; D824-N826 PolarHBondContact OD1-N 2.75Å
827	T	91.9	Very high	94.1	Very high	78 Å²	78	46.4 Å²	46.4	48%	0.479	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-15.1	-179.3	59.9	0	0	0	0	113.8	D824 L829	D824-T827 VanDerWaalsContact CB-OG1 3.25Å; D824-T827 WeakPolarHBondContact CB-OG1 3.35Å; D824-T827 WeakPolarHBondContact OD2-CB 3.49Å; D824-T827 WeakPolarHBondContact OD2-CG2 3.38Å; D824-T827 PolarHBondContact OD2-N 3.03Å; D824-T827 PolarHBondContact OD2-OG1 2.84Å; T827-L829 PolarHBondContact O-N 2.79Å
828	K	89.9	Confident	93.9	Very high	66 Å²	66	54.1 Å²	54.1	29%	0.287	28%	0.276	S	S	.	.			trans	61	20.6	-174.7	-50.8	-61	-177.9	-159.5	0	114	F780 D824 I825	F780-K828 HydrophobicContact CZ-CD 4.49Å; D824-K828 WeakPolarHBondContact O-CA 3.49Å; D824-K828 PolarHBondContact O-N 3.32Å; I825-K828 VanDerWaalsContact O-CD 3.25Å; I825-K828 WeakPolarHBondContact O-CD 3.37Å; I825-K828 WeakPolarHBondContact O-CE 3.47Å; I825-K828 PolarHBondContact O-NZ 2.84Å
829	L	92.9	Very high	93.8	Very high	114 Å²	114	57.8 Å²	57.8	60%	0.597	29%	0.289	S	S	*	.			trans	-97.5	142.6	-179.8	-63.1	176.6	0	0	0	111.1	W823 D824 T827 I831	W823-L829 WeakPolarHBondContact CA-O 3.43Å; D824-L829 PolarHBondContact N-O 3.37Å; T827-L829 PolarHBondContact O-N 2.79Å; L829-I831 PolarHBondContact O-N 3.26Å
830	C	94.4	Very high	93.6	Very high	39 Å²	39	61.4 Å²	61.4	26%	0.264	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	117.3	166.5	-171.4	0	0	0	0	108.4	I822 W823	I822-C830 CarbonylContact O-C 3.59Å; W823-C830 HydrophobicContact CD2-CB 4.24Å; W823-C830 HydrophobicContact CE3-CB 3.71Å; W823-C830 HydrophobicContact CH2-CB 3.9Å; W823-C830 HydrophobicContact CZ2-CB 4.4Å; W823-C830 HydrophobicContact CZ3-CB 3.54Å
831	I	94.2	Very high	93.3	Very high	102 Å²	102	70.7 Å²	70.7	52%	0.523	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-41.6	179.1	-54.9	166.5	0	0	0	109.9	L810 I822 D824 L829	L810-I831 HydrophobicContact CD2-CD1 3.37Å; I822-I831 HydrophobicContact CG2-CD1 4.32Å; I822-I831 PolarHBondContact O-N 3.34Å; D824-I831 HydrophobicContact CB-CD1 3.91Å; D824-I831 HydrophobicContact CB-CG1 4.17Å; L829-I831 PolarHBondContact O-N 3.26Å
832	Q	95.4	Very high	93	Very high	35 Å²	35	70.9 Å²	70.9	16%	0.164	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	140.6	-172.5	-170.1	175.4	-6.3	0	0	110.9	W512 R821 I822 I834	W512-Q832 PolarHBondContact O-NE2 3.06Å; R821-Q832 WeakPolarHBondContact CA-O 3.44Å; I822-Q832 HydrophobicContact CB-CB 4.47Å; I822-Q832 HydrophobicContact CD1-CB 4.15Å; I822-Q832 HydrophobicContact CG1-CB 4.43Å; I822-Q832 PolarHBondContact N-O 3.33Å; Q832-I834 HydrophobicContact CG-CD1 4.46Å; Q832-I834 HydrophobicContact CG-CG1 4.02Å
833	E	95.4	Very high	92.8	Very high	97 Å²	97	73.8 Å²	73.8	45%	0.453	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136	169.5	-176.8	177.4	146	0	0	109.5	I820 R821	I820-E833 CarbonylContact O-C 3.58Å; I820-E833 WeakPolarHBondContact O-CA 3.4Å; R821-E833 HydrophobicContact CG-CB 4.23Å; R821-E833 HydrophobicContact CG-CG 4.03Å; R821-E833 IonicContact CZ-OE2 3.81Å; R821-E833 VanDerWaalsContact CZ-OE2 3.26Å; R821-E833 IonicContact NE-OE2 3.33Å; R821-E833 PolarHBondContact NE-OE2 3.43Å; R821-E833 VanDerWaalsContact NE-OE2 3.1Å; R821-E833 IonicContact NH2-OE1 2.66Å; R821-E833 IonicContact NH2-OE2 2.88Å; R821-E833 PolarHBondContact NH2-OE2 3.48Å
834	I	95.9	Very high	92.8	Very high	23 Å²	23	72.8 Å²	72.8	12%	0.118	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	115.3	-180	-54.1	175.9	0	0	0	109.1	W512 I820 Q832 M857 Y869	W512-I834 HydrophobicContact CB-CD1 3.89Å; I820-I834 HydrophobicContact CB-CB 4.46Å; I820-I834 PolarHBondContact N-O 3.46Å; I820-I834 PolarHBondContact O-N 2.94Å; Q832-I834 HydrophobicContact CG-CD1 4.46Å; Q832-I834 HydrophobicContact CG-CG1 4.02Å; I834-M857 HydrophobicContact CD1-CE 3.61Å; I834-Y869 HydrophobicContact CD1-CD1 4.1Å; I834-Y869 HydrophobicContact CD1-CE1 4.28Å; I834-Y869 HydrophobicContact CG2-CD1 4.46Å; I834-Y869 HydrophobicContact CG2-CE1 3.68Å
835	T	93.4	Very high	92.9	Very high	106 Å²	106	71.1 Å²	71.1	65%	0.65	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	113.3	170.8	56.1	0	0	0	0	109.3
836	G	83	Confident	93.1	Very high	18 Å²	18	71.4 Å²	71.4	19%	0.186	36%	0.363	C	S	.	.			trans	-129.2	-28.7	-171.5	0	0	0	0	0	115.2	K867	G836-K867 WeakPolarHBondContact O-CE 3.46Å; G836-K867 PolarHBondContact O-NZ 3Å
837	H	93.1	Very high	93.4	Very high	10 Å²	10	65.9 Å²	65.9	5%	0.046	33%	0.333	C	S	.	.			trans	-108.2	159.6	-174	-70.4	-88	0	0	0	111.1	C818 I845 S859 D863 L865	C818-H837 WeakPolarHBondContact CB-O 3.42Å; H837-I845 HydrophobicContact CB-CD1 4.47Å; H837-I845 HydrophobicContact CB-CG1 3.74Å; H837-S859 PolarHBondContact NE2-OG 3.21Å; H837-D863 WeakPolarHBondContact CA-OD2 3.47Å; H837-D863 IonicContact CE1-OD1 3.51Å; H837-D863 IonicContact CG-OD1 3.2Å; H837-D863 IonicContact CG-OD2 3.24Å; H837-D863 IonicContact ND1-OD1 2.65Å; H837-D863 PolarHBondContact ND1-OD1 3.44Å; H837-D863 IonicContact ND1-OD2 3.65Å; H837-D863 PolarHBondContact ND1-OD2 2.92Å; H837-L865 PolarHBondContact CE1-O 3.19Å; H837-L865 VanDerWaalsContact CE1-O 3.24Å
838	R	92.6	Very high	93.7	Very high	198 Å²	198	62.5 Å²	62.5	75%	0.747	31%	0.313	S	S	*	.			trans	-101.4	145.5	173.8	-65.8	179.5	179	172.1	-1.5	110.4	D863	R838-D863 HydrophobicContact CB-CB 4.3Å; R838-D863 PolarHBondContact N-OD2 3.16Å; R838-D863 VanDerWaalsContact N-OD2 3.09Å
839	K	93.4	Very high	94	Very high	101 Å²	101	60 Å²	60	44%	0.439	30%	0.304	S	S	.	.			trans	-72.8	133.8	173.9	-153.5	165	-174	152.3	0	110.3	D797 H816 G842 E843 A844	D797-K839 IonicContact OD2-NZ 3.58Å; D797-K839 PolarHBondContact OD2-NZ 3.29Å; H816-K839 WeakPolarHBondContact O-CE 3.33Å; H816-K839 PolarHBondContact O-NZ 3.43Å; K839-G842 WeakPolarHBondContact CE-O 3.41Å; K839-E843 CarbonylContact C-O 3.43Å; K839-E843 WeakPolarHBondContact CA-O 3.36Å; K839-E843 WeakPolarHBondContact CG-O 3.46Å; K839-A844 HydrophobicContact CB-CB 4.48Å; K839-A844 HydrophobicContact CG-CB 4.33Å
840	K	92	Very high	94.2	Very high	76 Å²	76	55.4 Å²	55.4	33%	0.33	28%	0.279	S	S	.	.	B	Isolated β-bridge	trans	-134.2	124.5	174.2	-168.9	-168.9	178.2	-165.9	0	108	D523 G842 E843 S862	D523-K840 IonicContact OD1-NZ 3.96Å; D523-K840 PolarHBondContact OD1-NZ 3.43Å; K840-G842 PolarHBondContact O-N 3.37Å; K840-G842 VanDerWaalsContact O-N 3.12Å; K840-E843 PolarHBondContact N-O 3Å; K840-E843 PolarHBondContact O-N 3.25Å; K840-E843 VanDerWaalsContact O-O 3.13Å; K840-S862 WeakPolarHBondContact CD-O 3.33Å
841	F	89.7	Confident	94.3	Very high	197 Å²	197	53.8 Å²	53.8	86%	0.864	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	33.5	180	-55.1	-60.3	0	0	0	115.7	E843	F841-E843 VanDerWaalsContact C-N 3.3Å; F841-E843 PolarHBondContact O-N 3.27Å
842	G	90.6	Very high	94.2	Very high	46 Å²	46	51.2 Å²	51.2	47%	0.474	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.4	-10.7	-179.4	0	0	0	0	0	114.6	K839 K840	K839-G842 WeakPolarHBondContact CE-O 3.41Å; K840-G842 PolarHBondContact O-N 3.37Å; K840-G842 VanDerWaalsContact O-N 3.12Å
843	E	94.7	Very high	93.9	Very high	62 Å²	62	53.9 Å²	53.9	29%	0.29	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-103	161.2	174.5	-60.9	-171	155.5	0	0	111.7	R526 H816 K839 K840 F841 S862	R526-E843 IonicContact NH1-OE1 3.46Å; R526-E843 IonicContact NH1-OE2 3.97Å; H816-E843 WeakPolarHBondContact ND1-CA 3.5Å; K839-E843 CarbonylContact C-O 3.43Å; K839-E843 WeakPolarHBondContact CA-O 3.36Å; K839-E843 WeakPolarHBondContact CG-O 3.46Å; K840-E843 PolarHBondContact N-O 3Å; K840-E843 PolarHBondContact O-N 3.25Å; K840-E843 VanDerWaalsContact O-O 3.13Å; F841-E843 VanDerWaalsContact C-N 3.3Å; F841-E843 PolarHBondContact O-N 3.27Å; E843-S862 VanDerWaalsContact CB-OG 3.25Å; E843-S862 WeakPolarHBondContact CB-OG 3.31Å; E843-S862 PolarHBondContact OE2-OG 3.45Å; E843-S862 VanDerWaalsContact OE2-OG 3.06Å
844	A	95.8	Very high	93.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.267	C	S	.	.			trans	-141.6	-76	179.7	0	0	0	0	0	112.6	H816 C818 K839 G861 S862	H816-A844 PolarHBondContact ND1-N 3.41Å; H816-A844 VanDerWaalsContact ND1-N 3.18Å; C818-A844 HydrophobicContact CB-CB 4.29Å; C818-A844 VanDerWaalsContact SG-CB 3.51Å; K839-A844 HydrophobicContact CB-CB 4.48Å; K839-A844 HydrophobicContact CG-CB 4.33Å; A844-G861 CarbonylContact O-C 3.47Å; A844-G861 WeakPolarHBondContact O-CA 3.5Å; A844-S862 PolarHBondContact O-N 3.25Å
845	I	97.8	Very high	93.4	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	124.5	-178.9	-54	161.8	0	0	0	108.2	T800 A814 S819 I820 H837 V848 A860	T800-I845 WeakPolarHBondContact CB-O 3.26Å; T800-I845 WeakPolarHBondContact CG2-O 3.48Å; T800-I845 PolarHBondContact OG1-O 3.19Å; A814-I845 HydrophobicContact CB-CB 3.89Å; A814-I845 HydrophobicContact CB-CD1 4.25Å; A814-I845 HydrophobicContact CB-CG2 3.45Å; A814-I845 VanDerWaalsContact CB-CG2 3.45Å; S819-I845 WeakPolarHBondContact O-CD1 3.29Å; I820-I845 HydrophobicContact CD1-CD1 4.46Å; I820-I845 HydrophobicContact CG1-CD1 3.63Å; H837-I845 HydrophobicContact CB-CD1 4.47Å; H837-I845 HydrophobicContact CB-CG1 3.74Å; I845-V848 HydrophobicContact CG2-CG1 4.15Å; I845-A860 WeakPolarHBondContact CG2-O 3.39Å
846	N	97.7	Very high	93.5	Very high	14 Å²	14	53.9 Å²	53.9	8%	0.075	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-32.1	-175.6	-61.2	-25.9	0	0	0	111.8	I525 T801 A860 S862	I525-N846 WeakPolarHBondContact O-CB 3.48Å; I525-N846 PolarHBondContact O-ND2 3.28Å; T801-N846 WeakPolarHBondContact CG2-O 3.41Å; N846-A860 PolarHBondContact N-O 2.9Å; N846-S862 PolarHBondContact ND2-OG 3.23Å; N846-S862 PolarHBondContact OD1-OG 3.12Å
847	A	97.7	Very high	94.1	Very high	1 Å²	1	53 Å²	53	1%	0.008	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	145.1	-172.8	0	0	0	0	0	112.4	I528 S859 A860	I528-A847 HydrophobicContact CB-CB 4.37Å; I528-A847 HydrophobicContact CG2-CB 3.72Å; A847-S859 CarbonylContact O-C 3.55Å; A847-S859 VanDerWaalsContact O-CA 3.29Å; A847-S859 WeakPolarHBondContact O-CA 3.26Å; A847-A860 HydrophobicContact CB-CB 4.32Å; A847-A860 PolarHBondContact N-O 3.41Å; A847-A860 VanDerWaalsContact N-O 3.14Å; A847-A860 PolarHBondContact O-N 2.95Å
848	V	97.7	Very high	94.3	Very high	8 Å²	8	52.6 Å²	52.6	5%	0.048	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	147.7	171.3	-63.5	0	0	0	0	109.6	T801 L812 A814 I845 A858	T801-V848 HydrophobicContact CG2-CB 4.22Å; T801-V848 HydrophobicContact CG2-CG1 4.13Å; T801-V848 HydrophobicContact CG2-CG2 3.64Å; L812-V848 HydrophobicContact CB-CG2 4.43Å; L812-V848 HydrophobicContact CD2-CB 3.68Å; L812-V848 HydrophobicContact CD2-CG1 4.36Å; L812-V848 HydrophobicContact CD2-CG2 3.97Å; L812-V848 HydrophobicContact CG-CB 4.07Å; L812-V848 HydrophobicContact CG-CG1 4.49Å; L812-V848 HydrophobicContact CG-CG2 3.95Å; A814-V848 HydrophobicContact CB-CG1 3.44Å; A814-V848 VanDerWaalsContact CB-CG1 3.44Å; I845-V848 HydrophobicContact CG2-CG1 4.15Å; V848-A858 CarbonylContact C-O 3.59Å; V848-A858 WeakPolarHBondContact CA-O 3.46Å
849	A	97.7	Very high	94.6	Very high	12 Å²	12	43.2 Å²	43.2	10%	0.099	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	141	176.9	0	0	0	0	0	110.9	I528 F530 M857 A858	I528-A849 HydrophobicContact CG2-CB 4Å; F530-A849 HydrophobicContact CD2-CB 3.83Å; F530-A849 HydrophobicContact CE2-CB 4.11Å; F530-A849 WeakPolarHBondContact CE2-O 3.32Å; A849-M857 CarbonylContact O-C 3.48Å; A849-M857 VanDerWaalsContact O-CA 3.26Å; A849-M857 WeakPolarHBondContact O-CA 3.34Å; A849-A858 PolarHBondContact N-O 3.47Å; A849-A858 PolarHBondContact O-N 3.49Å
850	F	97.2	Very high	94.8	Very high	18 Å²	18	38.4 Å²	38.4	8%	0.079	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	142	159.6	-84.9	-67.4	0	0	0	109.8	W512 S803 N805 L810 L812 M857	W512-F850 HydrophobicContact CH2-CE1 4.18Å; W512-F850 AromaticContact CZ2-CE1 3.99Å; W512-F850 HydrophobicContact CZ2-CE1 3.99Å; S803-F850 PolarHBondContact OG-N 3.45Å; N805-F850 HydrophobicContact CB-CD1 4.31Å; N805-F850 HydrophobicContact CB-CD2 4Å; N805-F850 HydrophobicContact CB-CE2 4.14Å; N805-F850 HydrophobicContact CB-CG 4.06Å; N805-F850 HydrophobicContact CB-CZ 4.43Å; L810-F850 HydrophobicContact CB-CE2 4.31Å; L810-F850 HydrophobicContact CB-CZ 4.11Å; L812-F850 HydrophobicContact CB-CD2 4.01Å; L812-F850 HydrophobicContact CB-CE2 3.49Å; L812-F850 VanDerWaalsContact CB-CE2 3.49Å; L812-F850 HydrophobicContact CB-CZ 4.07Å; L812-F850 HydrophobicContact CD2-CD2 4.45Å; L812-F850 HydrophobicContact CD2-CE2 4.38Å; L812-F850 HydrophobicContact CG-CE2 4.47Å; F850-M857 HydrophobicContact CD1-CB 3.72Å; F850-M857 HydrophobicContact CE1-CB 3.83Å; F850-M857 HydrophobicContact CE1-SD 4.19Å
851	H	96	Very high	95	Very high	5 Å²	5	34.8 Å²	34.8	2%	0.023	19%	0.185	C	C	.	.			trans	-70.1	134.3	165.3	-173.4	-50.9	0	0	0	109.1	F530 E534 T853 Q854 F856	F530-H851 HydrophobicContact CB-CB 4.5Å; F530-H851 HydrophobicContact CD1-CB 4.08Å; F530-H851 AromaticContact CD1-CD2 3.57Å; F530-H851 HydrophobicContact CD2-CB 4.1Å; F530-H851 HydrophobicContact CE1-CB 4.29Å; F530-H851 HydrophobicContact CE2-CB 4.3Å; F530-H851 HydrophobicContact CG-CB 3.98Å; F530-H851 HydrophobicContact CZ-CB 4.38Å; E534-H851 PolarHBondContact O-NE2 3.39Å; H851-T853 PolarHBondContact CE1-OG1 2.92Å; H851-T853 PolarHBondContact ND1-N 3.36Å; H851-T853 VanDerWaalsContact ND1-N 3.1Å; H851-T853 PolarHBondContact O-N 2.86Å; H851-Q854 HydrophobicContact CB-CB 4.47Å; H851-Q854 PolarHBondContact ND1-N 3.46Å; H851-F856 HydrophobicContact CB-CB 3.73Å; H851-F856 WeakPolarHBondContact CB-O 3.49Å; H851-F856 PolarHBondContact N-O 3.31Å
852	P	91.4	Very high	95.3	Very high	49 Å²	49	25.6 Å²	25.6	32%	0.318	15%	0.145	S	C	.	.	S	Bend	trans	-63.9	-41	-175.3	15.5	-27.4	0	0	0	114.5	P532 S806	P532-P852 WeakPolarHBondContact O-CG 3.23Å; S806-P852 WeakPolarHBondContact CB-O 3.24Å; S806-P852 PolarHBondContact OG-O 2.89Å
853	T	88.8	Confident	95.6	Very high	90 Å²	90	24.9 Å²	24.9	55%	0.552	13%	0.131	S	C	*	.	S	Bend	trans	-109.4	-31.7	-178.1	57.1	0	0	0	0	115.2	P532 H851	P532-T853 WeakPolarHBondContact O-CG2 3.34Å; H851-T853 PolarHBondContact CE1-OG1 2.92Å; H851-T853 PolarHBondContact ND1-N 3.36Å; H851-T853 VanDerWaalsContact ND1-N 3.1Å; H851-T853 PolarHBondContact O-N 2.86Å
854	Q	90	Very high	95.6	Very high	55 Å²	55	22.6 Å²	22.6	26%	0.257	12%	0.123	S	C	.	.	S	Bend	trans	-97.7	160.4	-174	-57.7	-179.2	9	0	0	111.4	S533 S535 H851 F856	S533-Q854 PolarHBondContact O-NE2 2.96Å; S535-Q854 VanDerWaalsContact OG-CD 3.32Å; S535-Q854 PolarHBondContact OG-NE2 3.42Å; S535-Q854 PolarHBondContact OG-OE1 3.48Å; H851-Q854 HydrophobicContact CB-CB 4.47Å; H851-Q854 PolarHBondContact ND1-N 3.46Å; Q854-F856 HydrophobicContact CB-CD2 3.69Å; Q854-F856 HydrophobicContact CB-CE2 4.22Å; Q854-F856 PolarHBondContact O-N 3.2Å; Q854-F856 VanDerWaalsContact OE1-CD2 3.26Å
855	H	91.5	Very high	95.7	Very high	150 Å²	150	24.5 Å²	24.5	69%	0.694	13%	0.132	S	C	*	.	S	Bend	trans	-81.8	59.6	177.2	-57.6	91.4	0	0	0	110.7
856	F	94.9	Very high	95.6	Very high	21 Å²	21	24.5 Å²	24.5	9%	0.092	13%	0.132	C	C	.	.			trans	-119.4	142.5	172.6	-71.8	-68.8	0	0	0	109	Y516 F530 L551 H851 Q854 V868 Y869 V870	Y516-F856 HydrophobicContact CE2-CE1 4.28Å; F530-F856 HydrophobicContact CE1-CB 4.22Å; F530-F856 HydrophobicContact CZ-CB 4.08Å; L551-F856 HydrophobicContact CD1-CD1 4.29Å; L551-F856 HydrophobicContact CD1-CE1 4.28Å; L551-F856 HydrophobicContact CD1-CG 4.45Å; L551-F856 HydrophobicContact CD1-CZ 4.48Å; H851-F856 HydrophobicContact CB-CB 3.73Å; H851-F856 WeakPolarHBondContact CB-O 3.49Å; H851-F856 PolarHBondContact N-O 3.31Å; Q854-F856 HydrophobicContact CB-CD2 3.69Å; Q854-F856 HydrophobicContact CB-CE2 4.22Å; Q854-F856 PolarHBondContact O-N 3.2Å; Q854-F856 VanDerWaalsContact OE1-CD2 3.26Å; F856-V868 HydrophobicContact CB-CG1 4.38Å; F856-V868 HydrophobicContact CD1-CG1 3.63Å; F856-V868 HydrophobicContact CE1-CG1 4.31Å; F856-V868 HydrophobicContact CG-CG1 4.35Å; F856-Y869 WeakPolarHBondContact CA-O 3.48Å; F856-V870 HydrophobicContact CD1-CG2 3.39Å; F856-V870 HydrophobicContact CE1-CG2 3.19Å; F856-V870 HydrophobicContact CZ-CG2 4.26Å
857	M	96.3	Very high	95.5	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	153.1	159.2	65.3	-179.2	-166.1	0	0	108.5	W512 L812 I822 I834 A849 F850 V868 Y869	W512-M857 HydrophobicContact CB-CE 3.57Å; W512-M857 HydrophobicContact CD2-CE 3.87Å; W512-M857 HydrophobicContact CD2-CG 4.28Å; W512-M857 HydrophobicContact CD2-SD 3.82Å; W512-M857 HydrophobicContact CE3-CE 3.99Å; W512-M857 HydrophobicContact CE3-CG 3.73Å; W512-M857 HydrophobicContact CE3-SD 3.9Å; W512-M857 HydrophobicContact CG-CE 3.73Å; W512-M857 HydrophobicContact CG-SD 4.17Å; W512-M857 HydrophobicContact CH2-CG 4.42Å; W512-M857 HydrophobicContact CZ3-CB 4.29Å; W512-M857 HydrophobicContact CZ3-CG 3.82Å; W512-M857 HydrophobicContact CZ3-SD 4.34Å; L812-M857 HydrophobicContact CD1-SD 3.84Å; L812-M857 HydrophobicContact CD2-CB 4.08Å; L812-M857 HydrophobicContact CD2-SD 4.26Å; I822-M857 HydrophobicContact CD1-CE 3.89Å; I822-M857 HydrophobicContact CD1-SD 3.95Å; I822-M857 HydrophobicContact CG1-SD 4.49Å; I834-M857 HydrophobicContact CD1-CE 3.61Å; A849-M857 CarbonylContact O-C 3.48Å; A849-M857 VanDerWaalsContact O-CA 3.26Å; A849-M857 WeakPolarHBondContact O-CA 3.34Å; F850-M857 HydrophobicContact CD1-CB 3.72Å; F850-M857 HydrophobicContact CE1-CB 3.83Å; F850-M857 HydrophobicContact CE1-SD 4.19Å; M857-V868 CarbonylContact O-C 3.57Å; M857-V868 WeakPolarHBondContact O-CA 3.5Å; M857-Y869 VanDerWaalsContact CE-CB 3.48Å; M857-Y869 HydrophobicContact CE-CD1 4.05Å; M857-Y869 HydrophobicContact CE-CD2 3.88Å; M857-Y869 HydrophobicContact CE-CG 3.53Å; M857-Y869 HydrophobicContact CG-CD2 4.04Å; M857-Y869 HydrophobicContact CG-CG 4.2Å; M857-Y869 PolarHBondContact N-O 2.9Å; M857-Y869 PolarHBondContact O-N 3.43Å
858	A	97.4	Very high	95.5	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.008	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	154.5	177.4	0	0	0	0	0	111.4	I528 F530 V848 A849 K867 V868	I528-A858 HydrophobicContact CD1-CB 3.38Å; I528-A858 HydrophobicContact CG1-CB 4.47Å; F530-A858 HydrophobicContact CE2-CB 3.61Å; F530-A858 HydrophobicContact CZ-CB 3.55Å; V848-A858 CarbonylContact C-O 3.59Å; V848-A858 WeakPolarHBondContact CA-O 3.46Å; A849-A858 PolarHBondContact N-O 3.47Å; A849-A858 PolarHBondContact O-N 3.49Å; A858-K867 CarbonylContact C-O 3.6Å; A858-K867 WeakPolarHBondContact CA-O 3.27Å; A858-K867 WeakPolarHBondContact CB-O 3.4Å; A858-V868 HydrophobicContact CB-CG2 4.08Å
859	S	97.9	Very high	95.4	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.007	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	151.4	172.6	61.2	0	0	0	0	109.9	I820 H837 A847 A866 K867 Y869	I820-S859 VanDerWaalsContact CD1-CB 3.41Å; I820-S859 VanDerWaalsContact CD1-OG 3.27Å; I820-S859 WeakPolarHBondContact CD1-OG 3.34Å; H837-S859 PolarHBondContact NE2-OG 3.21Å; A847-S859 CarbonylContact O-C 3.55Å; A847-S859 VanDerWaalsContact O-CA 3.29Å; A847-S859 WeakPolarHBondContact O-CA 3.26Å; S859-A866 CarbonylContact O-C 3.55Å; S859-A866 VanDerWaalsContact O-CA 3.22Å; S859-A866 WeakPolarHBondContact O-CA 3.32Å; S859-K867 PolarHBondContact N-O 3.12Å; S859-K867 PolarHBondContact O-N 2.98Å; S859-Y869 WeakPolarHBondContact OG-CE2 3.33Å; S859-Y869 PolarHBondContact OG-OH 3.45Å
860	A	97.5	Very high	95	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	143.1	175.9	0	0	0	0	0	110.5	I525 I528 I845 N846 A847 L865 A866	I525-A860 HydrophobicContact CB-CB 3.75Å; I525-A860 HydrophobicContact CD1-CB 4.31Å; I525-A860 HydrophobicContact CG2-CB 3.46Å; I525-A860 VanDerWaalsContact CG2-CB 3.46Å; I528-A860 HydrophobicContact CB-CB 4.5Å; I845-A860 WeakPolarHBondContact CG2-O 3.39Å; N846-A860 PolarHBondContact N-O 2.9Å; A847-A860 HydrophobicContact CB-CB 4.32Å; A847-A860 PolarHBondContact N-O 3.41Å; A847-A860 VanDerWaalsContact N-O 3.14Å; A847-A860 PolarHBondContact O-N 2.95Å; A860-L865 WeakPolarHBondContact CA-O 3.36Å; A860-A866 HydrophobicContact CB-CB 4.16Å
861	G	96.1	Very high	94.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	175.8	-170	0	0	0	0	0	115.5	I525 A844 D863 A864 L865	I525-G861 PolarHBondContact N-O 2.98Å; A844-G861 CarbonylContact O-C 3.47Å; A844-G861 WeakPolarHBondContact O-CA 3.5Å; G861-D863 PolarHBondContact O-N 3.44Å; G861-A864 PolarHBondContact O-N 3.38Å; G861-L865 PolarHBondContact N-O 2.71Å; G861-L865 VanDerWaalsContact N-O 3.16Å
862	S	96.9	Very high	94.9	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.021	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-7.3	176.9	-51.5	0	0	0	0	112.9	K840 E843 A844 N846 A864	K840-S862 WeakPolarHBondContact CD-O 3.33Å; E843-S862 VanDerWaalsContact CB-OG 3.25Å; E843-S862 WeakPolarHBondContact CB-OG 3.31Å; E843-S862 PolarHBondContact OE2-OG 3.45Å; E843-S862 VanDerWaalsContact OE2-OG 3.06Å; A844-S862 PolarHBondContact O-N 3.25Å; N846-S862 PolarHBondContact ND2-OG 3.23Å; N846-S862 PolarHBondContact OD1-OG 3.12Å; S862-A864 PolarHBondContact O-N 3.31Å
863	D	95.9	Very high	95.1	Very high	31 Å²	31	28.7 Å²	28.7	17%	0.166	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	9.8	171.3	63.4	-8.9	0	0	0	114.1	H837 R838 G861 L865	H837-D863 WeakPolarHBondContact CA-OD2 3.47Å; H837-D863 IonicContact CE1-OD1 3.51Å; H837-D863 IonicContact CG-OD1 3.2Å; H837-D863 IonicContact CG-OD2 3.24Å; H837-D863 IonicContact ND1-OD1 2.65Å; H837-D863 PolarHBondContact ND1-OD1 3.44Å; H837-D863 IonicContact ND1-OD2 3.65Å; H837-D863 PolarHBondContact ND1-OD2 2.92Å; R838-D863 HydrophobicContact CB-CB 4.3Å; R838-D863 PolarHBondContact N-OD2 3.16Å; R838-D863 VanDerWaalsContact N-OD2 3.09Å; G861-D863 PolarHBondContact O-N 3.44Å; D863-L865 PolarHBondContact O-N 3.19Å; D863-L865 PolarHBondContact OD1-N 3.17Å
864	A	96.6	Very high	95.4	Very high	15 Å²	15	25.1 Å²	25.1	12%	0.124	13%	0.128	C	C	.	.	S	Bend	trans	62.3	17.7	-177.3	0	0	0	0	0	114.3	H521 D523 G861 S862	H521-A864 HydrophobicContact CB-CB 4.5Å; D523-A864 VanDerWaalsContact O-CA 3.31Å; D523-A864 WeakPolarHBondContact O-CA 3.4Å; D523-A864 WeakPolarHBondContact O-CB 3.3Å; G861-A864 PolarHBondContact O-N 3.38Å; S862-A864 PolarHBondContact O-N 3.31Å
865	L	96.1	Very high	95.8	Very high	39 Å²	39	23.3 Å²	23.3	20%	0.204	12%	0.12	C	C	.	.			trans	-110	142.1	-180	-58.9	-176.9	0	0	0	110.9	T517 R519 I525 H837 A860 G861 D863	T517-L865 HydrophobicContact CG2-CD1 4.3Å; T517-L865 HydrophobicContact CG2-CD2 4.44Å; R519-L865 HydrophobicContact CB-CD2 4.43Å; R519-L865 HydrophobicContact CG-CD2 3.66Å; I525-L865 VanDerWaalsContact CD1-C 3.44Å; H837-L865 PolarHBondContact CE1-O 3.19Å; H837-L865 VanDerWaalsContact CE1-O 3.24Å; A860-L865 WeakPolarHBondContact CA-O 3.36Å; G861-L865 PolarHBondContact N-O 2.71Å; G861-L865 VanDerWaalsContact N-O 3.16Å; D863-L865 PolarHBondContact O-N 3.19Å; D863-L865 PolarHBondContact OD1-N 3.17Å
866	A	96.9	Very high	96.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	141.8	160	0	0	0	0	0	109.6	T517 L518 I525 I528 T539 S859 A860	T517-A866 CarbonylContact C-O 3.59Å; T517-A866 WeakPolarHBondContact CA-O 3.25Å; L518-A866 HydrophobicContact CB-CB 4.16Å; L518-A866 HydrophobicContact CD1-CB 4.09Å; L518-A866 HydrophobicContact CG-CB 4.43Å; L518-A866 PolarHBondContact N-O 3.3Å; L518-A866 PolarHBondContact O-N 3.4Å; I525-A866 HydrophobicContact CD1-CB 3.85Å; I528-A866 HydrophobicContact CD1-CB 4.45Å; T539-A866 HydrophobicContact CG2-CB 3.91Å; S859-A866 CarbonylContact O-C 3.55Å; S859-A866 VanDerWaalsContact O-CA 3.22Å; S859-A866 WeakPolarHBondContact O-CA 3.32Å; A860-A866 HydrophobicContact CB-CB 4.16Å
867	K	96	Very high	96.2	Very high	36 Å²	36	14.4 Å²	14.4	16%	0.157	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	140.9	179.7	-65.3	-170.5	173.6	-160.3	0	109.6	Y516 T517 G836 A858 S859 Y869	Y516-K867 WeakPolarHBondContact O-CA 3.31Å; T517-K867 HydrophobicContact CG2-CG 4.1Å; G836-K867 WeakPolarHBondContact O-CE 3.46Å; G836-K867 PolarHBondContact O-NZ 3Å; A858-K867 CarbonylContact C-O 3.6Å; A858-K867 WeakPolarHBondContact CA-O 3.27Å; A858-K867 WeakPolarHBondContact CB-O 3.4Å; S859-K867 PolarHBondContact N-O 3.12Å; S859-K867 PolarHBondContact O-N 2.98Å; K867-Y869 HydrophobicContact CB-CE2 3.73Å
868	V	96.2	Very high	96.1	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132.4	177.7	-175.6	0	0	0	0	109	K515 Y516 L518 L537 L551 F856 M857 A858	K515-V868 PolarHBondContact N-O 3.29Å; Y516-V868 HydrophobicContact CD2-CB 4.1Å; Y516-V868 HydrophobicContact CD2-CG1 4.27Å; Y516-V868 PolarHBondContact N-O 3.38Å; Y516-V868 VanDerWaalsContact N-O 3.13Å; Y516-V868 PolarHBondContact O-N 2.97Å; L518-V868 HydrophobicContact CD1-CG2 4.13Å; L537-V868 HydrophobicContact CD2-CG2 3.75Å; L551-V868 HydrophobicContact CD1-CG1 3.87Å; L551-V868 HydrophobicContact CD1-CG2 4.41Å; L551-V868 HydrophobicContact CD2-CG2 4.02Å; F856-V868 HydrophobicContact CB-CG1 4.38Å; F856-V868 HydrophobicContact CD1-CG1 3.63Å; F856-V868 HydrophobicContact CE1-CG1 4.31Å; F856-V868 HydrophobicContact CG-CG1 4.35Å; M857-V868 CarbonylContact O-C 3.57Å; M857-V868 WeakPolarHBondContact O-CA 3.5Å; A858-V868 HydrophobicContact CB-CG2 4.08Å
869	Y	95.3	Very high	96	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.008	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	149.1	-175	-50.8	-100.9	0	0	0	110.5	T513 A514 I820 I834 F856 M857 S859 K867	T513-Y869 WeakPolarHBondContact O-CA 2.92Å; A514-Y869 HydrophobicContact CB-CD1 3.85Å; A514-Y869 HydrophobicContact CB-CE1 3.67Å; I820-Y869 HydrophobicContact CD1-CE2 3.93Å; I820-Y869 WeakPolarHBondContact CD1-OH 3.39Å; I834-Y869 HydrophobicContact CD1-CD1 4.1Å; I834-Y869 HydrophobicContact CD1-CE1 4.28Å; I834-Y869 HydrophobicContact CG2-CD1 4.46Å; I834-Y869 HydrophobicContact CG2-CE1 3.68Å; F856-Y869 WeakPolarHBondContact CA-O 3.48Å; M857-Y869 VanDerWaalsContact CE-CB 3.48Å; M857-Y869 HydrophobicContact CE-CD1 4.05Å; M857-Y869 HydrophobicContact CE-CD2 3.88Å; M857-Y869 HydrophobicContact CE-CG 3.53Å; M857-Y869 HydrophobicContact CG-CD2 4.04Å; M857-Y869 HydrophobicContact CG-CG 4.2Å; M857-Y869 PolarHBondContact N-O 2.9Å; M857-Y869 PolarHBondContact O-N 3.43Å; S859-Y869 WeakPolarHBondContact OG-CE2 3.33Å; S859-Y869 PolarHBondContact OG-OH 3.45Å; K867-Y869 HydrophobicContact CB-CE2 3.73Å
870	V	91.2	Very high	95.9	Very high	72 Å²	72	18 Å²	18	44%	0.436	10%	0.101	S	C	.	.			trans	-134.3	0	178.1	-172.7	0	0	0	0	110.2	T513 K515 F856	T513-V870 PolarHBondContact N-O 3.28Å; T513-V870 PolarHBondContact O-N 3.46Å; T513-V870 VanDerWaalsContact O-N 3.1Å; K515-V870 HydrophobicContact CB-CG2 3.94Å; K515-V870 HydrophobicContact CD-CB 4.25Å; K515-V870 HydrophobicContact CD-CG2 3.5Å; K515-V870 VanDerWaalsContact CD-CG2 3.5Å; K515-V870 HydrophobicContact CG-CG2 4.37Å; F856-V870 HydrophobicContact CD1-CG2 3.39Å; F856-V870 HydrophobicContact CE1-CG2 3.19Å; F856-V870 HydrophobicContact CZ-CG2 4.26Å

Retrieved 870 of 870 residues in 1529.3 ms (Link to these results)

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