A0A077ZJS6_TRITR Loading...

Kelch 4 and F-box-like and Kelch 3 and RVT 1 doma in containing protein

AlphaFold DB , UniProt , Accession A0A077ZJS6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 972 aa.

						>A0A077ZJS6_TRITR|A0A077ZJS6
MAEKKHLYHRKRRTNGSEAFRPAFPKVGVTVEPVISQCRLSRLVVAAPASEDVTRKAAHELTGQRSLDNSAPIAFLGLTLLRGLSIQGINQTHFDFTIKSLLEEFSDVFKEDLGTYKGPNVTLPLDPEVLPIRRRARNVPLAIRPRIETEIKRLLKEEVLEPIANPKWSTPVVPVIKPSGDLPVDDASAEAQTIITHLAAFKVKRLRFGVSVAPGIFQQVMDDLLRSIPGTTVYFDDVLVRGSMLPELRDWLRQVLQVLRNTGLRARKEKCLFGVTSVDFLGYRIDASGIHPSKSRMEAIKSAPVPQNKQELQVLEMRYSRLARRPSAKQEWFNDESSAAEQAFDLNGHTRRESKQYRKEKRISYPPRSIAQSCSQLGVEGMACKIRNRFPGIFHKTKRTDGSQELLAVGKPSGHSQDGPTTCPRRATLSHTGIVSMKALARSYVWWPNIIPVSKISSQTVLPAEHIGTHPLRAHFDVIAVRVMKMVTVEDFPDHILELIFSFLSPYAELDACMCVCKRWYHMVKKCCRKLQFNFRELRNLEWFPVDQLYSTECANIWSRFAHAACYHKSGSIFVFGGMTSTFGFLNDIWKFNLTTRVWKRLPSKGDLPRPKASSSLIAYGDKLILFGGWCPSQWRACRPGNVFCDNLHCYCISTGAWTSIPSRGTGSEPLANHSASLIGDWMILFGGLTPSGCTNKIRVFDIRRKVWFLPLTSPVRPSPRCLHSQVILDDEHLLIVGGECMGKTNLFDVWLLTVGHENTIWQWEQLDVFTNEPSLPLLWSRQACKVGDKAIFLSCPHVERSAAQFQAAQTFFGINRSGSGRNDFRVFDRHDYSLPINRLSTVKMDAKPQVPATGRTQKRTDSSRKKENWKVGIPCTRPVNVYALHMDRVMSHRCVTWSIVLSSSHAPQDTFLGSVIEGRGEIVVFGGVRYVGDSSSPSFSSFFEQKHGAAVDTVFVLKSSLGKSIKPSSTY
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.1	Very low	31	Very low	246 Å²	246	177.3 Å²	177.3	100%	1.212	82%	0.821	S	S	*	*				0	131.6	0	-57.3	175.6	-160.3	0	0	108.8
2	A	29.6	Very low	30.6	Very low	88 Å²	88	180.6 Å²	180.6	73%	0.727	82%	0.821	S	S	*	*				-168.8	135.2	-55.7	0	0	0	0	0	107.1
3	E	32.3	Very low	30.4	Very low	158 Å²	158	182.5 Å²	182.5	74%	0.738	82%	0.817	S	S	*	*			trans	63.1	157.1	169.8	-57.2	-162	127	0	0	116.8
4	K	37.1	Very low	30.2	Very low	169 Å²	169	177.3 Å²	177.3	74%	0.735	81%	0.807	S	S	*	*			cis	-147.5	145.9	-1.6	-127.8	151	-171.1	148.4	0	109.8
5	K	29.5	Very low	30	Very low	181 Å²	181	176 Å²	176	79%	0.787	81%	0.81	S	S	*	*			trans	-91	171.1	166.4	-83	176.6	173.1	173.4	0	110.4
6	H	32.2	Very low	29.8	Very low	156 Å²	156	169.9 Å²	169.9	72%	0.722	81%	0.809	S	S	*	*			trans	89.6	113.3	159.7	-56	-78.6	0	0	0	118.9
7	L	32	Very low	29.8	Very low	160 Å²	160	166.4 Å²	166.4	84%	0.838	81%	0.807	S	S	*	*				-172.5	117.9	97.1	-127.5	58.8	0	0	0	108.2
8	Y	29.3	Very low	29.6	Very low	203 Å²	203	168.2 Å²	168.2	80%	0.796	81%	0.814	S	S	*	*				73.6	124.5	78.3	-114	-91.4	0	0	0	116.9
9	H	28.1	Very low	29.6	Very low	167 Å²	167	163.7 Å²	163.7	77%	0.773	81%	0.807	S	S	*	*			trans	-41.2	152.8	176.5	-60.8	-93.2	0	0	0	117.5
10	R	27.5	Very low	29.5	Very low	230 Å²	230	165.4 Å²	165.4	87%	0.868	81%	0.81	S	S	*	*				147	150.6	95.6	-153.9	173.8	-172.6	178.9	2.3	113
11	K	30.6	Very low	29.2	Very low	192 Å²	192	168.6 Å²	168.6	84%	0.835	81%	0.813	S	S	*	*			trans	72.6	149.6	172.4	-55.5	176.6	179.5	175.1	0	115
12	R	26.4	Very low	29	Very low	217 Å²	217	162.9 Å²	162.9	82%	0.819	80%	0.795	S	S	*	*			cis	169.3	141.8	-32.5	-127.3	-171.6	178.1	-178.1	-0.4	104.1
13	R	27.8	Very low	28.9	Very low	205 Å²	205	162 Å²	162	77%	0.774	79%	0.788	S	S	*	*			trans	81.2	114.9	155.1	-73.8	-174.6	165	173.3	-6.1	120.6
14	T	27.7	Very low	28.6	Very low	110 Å²	110	162.1 Å²	162.1	68%	0.675	79%	0.786	S	S	*	*				81.8	120.9	125	55.1	0	0	0	0	122.2
15	N	27	Very low	28.2	Very low	158 Å²	158	159.3 Å²	159.3	85%	0.845	79%	0.785	S	S	*	*			trans	85.6	135.6	142.3	-58.2	-4	0	0	0	119.5
16	G	26.7	Very low	28.1	Very low	78 Å²	78	159.5 Å²	159.5	80%	0.804	79%	0.786	S	S	*	*			trans	99.2	79.9	147.7	0	0	0	0	0	118.4
17	S	30.3	Very low	27.9	Very low	110 Å²	110	158.1 Å²	158.1	77%	0.769	79%	0.788	S	S	*	*			trans	179.7	123.6	154.7	49.1	0	0	0	0	106.8
18	E	25.9	Very low	27.5	Very low	199 Å²	199	153.3 Å²	153.3	93%	0.93	78%	0.777	S	S	*	*			cis	48.8	82.9	37.5	-71.2	-161	152.8	0	0	113.3
19	A	28.7	Very low	27.3	Very low	84 Å²	84	149.7 Å²	149.7	69%	0.694	78%	0.776	S	S	*	*			trans	-160.1	121.7	153.8	0	0	0	0	0	112.4
20	F	28.6	Very low	27	Very low	197 Å²	197	148.4 Å²	148.4	86%	0.864	78%	0.78	S	S	*	*			trans	45.2	124.4	135.9	-74	-95.6	0	0	0	121.6	P22	F20-P22 WeakPolarHBondContact O-CD 3.27Å
21	R	23.1	Very low	27	Very low	232 Å²	232	142.7 Å²	142.7	88%	0.875	77%	0.77	S	S	*	*			trans	-58.5	125.1	145.1	-65.3	175.7	177.3	178.2	-0.4	108.6	A23	R21-A23 PolarHBondContact O-N 3.47Å; R21-A23 VanDerWaalsContact O-N 3.15Å
22	P	29.6	Very low	26.7	Very low	126 Å²	126	141.3 Å²	141.3	82%	0.818	77%	0.767	S	S	*	*			trans	-80.3	91.4	160.1	31.8	-29	0	0	0	108.1	F20	F20-P22 WeakPolarHBondContact O-CD 3.27Å
23	A	26.7	Very low	26.7	Very low	71 Å²	71	137.3 Å²	137.3	59%	0.587	77%	0.769	S	S	*	*			trans	-86.1	135.2	153.3	0	0	0	0	0	107.3	R21	R21-A23 PolarHBondContact O-N 3.47Å; R21-A23 VanDerWaalsContact O-N 3.15Å
24	F	26.7	Very low	26.6	Very low	159 Å²	159	131.8 Å²	131.8	70%	0.697	76%	0.758	S	S	*	*			trans	71.5	156.5	171.8	-59.2	-67.2	0	0	0	114.9	K26	F24-K26 HydrophobicContact CD1-CG 4.17Å; F24-K26 HydrophobicContact CE1-CD 4.21Å; F24-K26 HydrophobicContact CE1-CG 4.16Å
25	P	28	Very low	26.6	Very low	110 Å²	110	130.9 Å²	130.9	71%	0.714	75%	0.748	S	S	*	*			cis	-100.6	135.9	18.8	28.6	-14.8	0	0	0	116.3	V27	P25-V27 HydrophobicContact CB-CG2 4.03Å; P25-V27 HydrophobicContact CG-CG2 4.19Å; P25-V27 PolarHBondContact O-N 3.17Å
26	K	27	Very low	26.9	Very low	185 Å²	185	124.2 Å²	124.2	80%	0.804	71%	0.714	S	S	*	*			trans	-65.5	110.7	145.8	-72.7	176.4	175.2	-179.7	0	106.8	F24	F24-K26 HydrophobicContact CD1-CG 4.17Å; F24-K26 HydrophobicContact CE1-CD 4.21Å; F24-K26 HydrophobicContact CE1-CG 4.16Å
27	V	28.9	Very low	27.4	Very low	127 Å²	127	121.6 Å²	121.6	77%	0.77	68%	0.681	S	S	*	*			trans	-108.2	104.3	158.1	-172.4	0	0	0	0	103	P25	P25-V27 HydrophobicContact CB-CG2 4.03Å; P25-V27 HydrophobicContact CG-CG2 4.19Å; P25-V27 PolarHBondContact O-N 3.17Å
28	G	24	Very low	28.1	Very low	59 Å²	59	116.4 Å²	116.4	61%	0.608	64%	0.644	S	S	*	*				73.2	77.3	77.4	0	0	0	0	0	106.6
29	V	24	Very low	29.2	Very low	127 Å²	127	109.5 Å²	109.5	77%	0.77	61%	0.61	S	S	*	*				-130.7	133	85.1	-171.7	0	0	0	0	112.6	V31	V29-V31 HydrophobicContact CB-CG2 4.3Å; V29-V31 HydrophobicContact CG1-CG2 3.71Å
30	T	22.5	Very low	30.4	Very low	141 Å²	141	105.7 Å²	105.7	87%	0.865	58%	0.578	S	S	*	*			trans	-79.1	114.9	162.9	-32.4	0	0	0	0	107.8
31	V	26.4	Very low	31.6	Very low	109 Å²	109	97.3 Å²	97.3	66%	0.661	54%	0.543	S	S	*	.			trans	-114.3	125.6	172.7	-173	0	0	0	0	108	V29	V29-V31 HydrophobicContact CB-CG2 4.3Å; V29-V31 HydrophobicContact CG1-CG2 3.71Å
32	E	24.8	Very low	33.5	Very low	164 Å²	164	88.8 Å²	88.8	77%	0.766	51%	0.511	S	S	*	.			trans	-66.6	152	-180	-68.8	-170.8	140.2	0	0	112	V34	E32-V34 PolarHBondContact O-N 3.43Å
33	P	25.6	Very low	35.1	Very low	133 Å²	133	82.8 Å²	82.8	86%	0.864	47%	0.472	S	S	*	.			trans	-82.5	106.9	-168.7	31.8	-33.9	0	0	0	111.8
34	V	27.2	Very low	36.9	Very low	88 Å²	88	79.4 Å²	79.4	53%	0.533	45%	0.445	S	S	.	.			trans	-114.5	115.3	179.9	-165.5	0	0	0	0	110.2	E32 E158	E32-V34 PolarHBondContact O-N 3.43Å; V34-E158 WeakPolarHBondContact CG1-OE2 3.46Å
35	I	27.9	Very low	38.4	Very low	92 Å²	92	71.9 Å²	71.9	47%	0.472	41%	0.411	S	S	.	.			trans	50.8	129.1	146.5	-57.1	172.5	0	0	0	117.8	R205	I35-R205 VanDerWaalsContact C-NH2 3.31Å; I35-R205 PolarHBondContact O-NH2 2.72Å
36	S	32.8	Very low	39.9	Very low	18 Å²	18	67.6 Å²	67.6	13%	0.126	39%	0.385	C	S	.	.			cis	-171.9	-167	-12	52.5	0	0	0	0	107.9	T115 R205	S36-T115 WeakPolarHBondContact CA-OG1 3.5Å; S36-T115 WeakPolarHBondContact CB-OG1 3.18Å; S36-R205 PolarHBondContact O-NE 2.81Å; S36-R205 PolarHBondContact O-NH1 2.79Å; S36-R205 PolarHBondContact O-NH2 2.86Å
37	Q	37.1	Very low	41.2	Very low	23 Å²	23	59.3 Å²	59.3	11%	0.107	35%	0.352	C	S	.	.			trans	89.4	67.8	146.2	-69.6	167.7	-7.4	0	0	124.5	L113 G114 D181	Q37-L113 HydrophobicContact CB-CB 3.59Å; Q37-L113 HydrophobicContact CB-CD1 3.8Å; Q37-L113 HydrophobicContact CB-CD2 4.43Å; Q37-L113 HydrophobicContact CB-CG 4.1Å; Q37-L113 HydrophobicContact CG-CB 3.49Å; Q37-L113 VanDerWaalsContact CG-CB 3.49Å; Q37-L113 HydrophobicContact CG-CD1 3.5Å; Q37-L113 VanDerWaalsContact CG-CD1 3.5Å; Q37-L113 HydrophobicContact CG-CG 4.02Å; Q37-L113 WeakPolarHBondContact CG-O 3.34Å; Q37-G114 CarbonylContact C-O 3.53Å; Q37-G114 WeakPolarHBondContact CA-O 3.4Å; Q37-G114 PolarHBondContact N-O 2.93Å; Q37-D181 PolarHBondContact O-N 3.11Å; Q37-D181 VanDerWaalsContact O-O 3.09Å
38	C	44.3	Very low	42.2	Very low	1 Å²	1	55.5 Å²	55.5	1%	0.007	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-105.6	151.4	156.2	-93.8	0	0	0	0	113	G114 D181 L182 L264	C38-G114 PolarHBondContact N-O 2.86Å; C38-G114 PolarHBondContact O-N 3.31Å; C38-G114 VanDerWaalsContact O-N 3.12Å; C38-D181 PolarHBondContact SG-O 3.02Å; C38-L182 VanDerWaalsContact SG-CA 3.58Å; C38-L182 WeakPolarHBondContact SG-CD2 3.22Å; C38-L264 HydrophobicContact CB-CD2 3.42Å; C38-L264 VanDerWaalsContact CB-CD2 3.42Å
39	R	50.3	Low	43.3	Very low	54 Å²	54	55 Å²	55	20%	0.204	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	118.1	179.1	-150.6	168.8	-174.1	-162.6	-7.2	111.9	K110 E111 L113 R265	R39-K110 PolarHBondContact NH2-O 3.18Å; R39-K110 VanDerWaalsContact NH2-O 3.08Å; R39-E111 PolarHBondContact NH1-O 2.71Å; R39-E111 VanDerWaalsContact NH1-O 3.11Å; R39-L113 HydrophobicContact CB-CB 4.4Å; R39-R265 CarbonylContact C-O 3.55Å; R39-R265 VanDerWaalsContact CA-O 3.3Å; R39-R265 WeakPolarHBondContact CA-O 3.27Å; R39-R265 HydrophobicContact CG-CB 4.28Å
40	L	52	Low	44.4	Very low	4 Å²	4	52.6 Å²	52.6	2%	0.021	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	141.3	170.3	-72.4	174.4	0	0	0	110.6	F217 M221 V238 L259 R265 A266 R267	L40-F217 HydrophobicContact CD2-CE1 4.29Å; L40-F217 HydrophobicContact CD2-CZ 4.24Å; L40-M221 HydrophobicContact CD1-CE 4.05Å; L40-M221 HydrophobicContact CD2-CE 3.84Å; L40-M221 HydrophobicContact CD2-SD 4.07Å; L40-M221 HydrophobicContact CG-CE 4.47Å; L40-V238 HydrophobicContact CD1-CG2 4.15Å; L40-V238 HydrophobicContact CD2-CG2 4.35Å; L40-L259 HydrophobicContact CD1-CD1 3.84Å; L40-L259 HydrophobicContact CD1-CD2 3.5Å; L40-L259 HydrophobicContact CD1-CG 4.34Å; L40-R265 PolarHBondContact N-O 3.23Å; L40-A266 HydrophobicContact CB-CB 4.38Å; L40-R267 PolarHBondContact O-N 3.28Å; L40-R267 VanDerWaalsContact O-N 3.11Å
41	S	55.1	Low	45.2	Very low	20 Å²	20	51.9 Å²	51.9	14%	0.14	30%	0.295	C	S	.	.	S	Bend	trans	-85.8	-29	-175.1	75	0	0	0	0	112.7	D236 K270	S41-D236 WeakPolarHBondContact CB-OD2 3.17Å; S41-D236 PolarHBondContact N-O 3.19Å; S41-D236 VanDerWaalsContact N-O 3.13Å; S41-D236 VanDerWaalsContact OG-CG 3.24Å; S41-D236 PolarHBondContact OG-O 2.7Å; S41-D236 PolarHBondContact OG-OD2 2.86Å; S41-K270 WeakPolarHBondContact O-CB 3.37Å; S41-K270 WeakPolarHBondContact O-CD 3.5Å
42	R	62.7	Low	45.8	Very low	53 Å²	53	52.4 Å²	52.4	20%	0.2	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	126.6	-178.4	-176	155.4	-178.7	-126.9	1.8	113.3	V44 D236 D237 V238 K270 L272 D279	R42-V44 HydrophobicContact CG-CG2 3.86Å; R42-D236 PolarHBondContact N-O 2.68Å; R42-D237 VanDerWaalsContact CB-OD1 3.29Å; R42-D237 WeakPolarHBondContact CB-OD1 3.31Å; R42-V238 PolarHBondContact O-N 3.36Å; R42-K270 WeakPolarHBondContact CD-O 3.44Å; R42-K270 VanDerWaalsContact CG-O 3.31Å; R42-K270 WeakPolarHBondContact CG-O 3.5Å; R42-L272 VanDerWaalsContact NH2-CD1 3.27Å; R42-D279 VanDerWaalsContact CZ-O 3.31Å; R42-D279 PolarHBondContact NH1-O 2.72Å; R42-D279 PolarHBondContact NH2-O 2.94Å
43	L	63	Low	46.5	Very low	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	128.5	166.1	-177.2	61	0	0	0	108.9	V45 V238 V240 L252 V255 L256 C271 L272 F273	L43-V45 HydrophobicContact CG-CG2 4.45Å; L43-V238 CarbonylContact C-O 3.58Å; L43-V238 WeakPolarHBondContact CA-O 3.4Å; L43-V238 HydrophobicContact CD1-CB 3.87Å; L43-V238 HydrophobicContact CD1-CG1 3.78Å; L43-V240 HydrophobicContact CD1-CG2 3.78Å; L43-L252 HydrophobicContact CD2-CD1 3.93Å; L43-V255 HydrophobicContact CD1-CG1 4.12Å; L43-L256 HydrophobicContact CD2-CD2 4.01Å; L43-C271 HydrophobicContact CB-CB 4.24Å; L43-C271 PolarHBondContact N-SG 3.47Å; L43-C271 VanDerWaalsContact N-SG 3.38Å; L43-C271 CarbonylContact O-C 3.48Å; L43-C271 WeakPolarHBondContact O-CA 3.47Å; L43-C271 WeakPolarHBondContact O-CB 3.3Å; L43-L272 PolarHBondContact O-N 3.24Å; L43-F273 HydrophobicContact CD2-CE1 4.01Å; L43-F273 HydrophobicContact CG-CE1 4.43Å
44	V	63.8	Low	47.1	Very low	1 Å²	1	46.4 Å²	46.4	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	132.5	179	177	0	0	0	0	109.4	R42 V238 L239 V240 L272 V275 V278 F280	R42-V44 HydrophobicContact CG-CG2 3.86Å; V44-V238 PolarHBondContact N-O 3.15Å; V44-L239 HydrophobicContact CB-CD1 3.86Å; V44-L239 HydrophobicContact CG1-CD1 3.5Å; V44-L239 CarbonylContact O-C 2.9Å; V44-V240 PolarHBondContact O-N 3.42Å; V44-L272 CarbonylContact C-O 3.56Å; V44-L272 WeakPolarHBondContact CA-O 3.38Å; V44-V275 HydrophobicContact CG1-CG2 4.46Å; V44-V278 HydrophobicContact CG1-CB 3.97Å; V44-V278 HydrophobicContact CG1-CG1 3.68Å; V44-V278 HydrophobicContact CG1-CG2 3.52Å; V44-V278 HydrophobicContact CG2-CG2 4.18Å; V44-F280 HydrophobicContact CG2-CD2 4.4Å
45	V	59.2	Low	47.4	Very low	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	109.9	-179.6	-173.7	0	0	0	0	108.8	L43 V240 L248 L252 L272 F273 G274 V275	L43-V45 HydrophobicContact CG-CG2 4.45Å; V45-V240 WeakPolarHBondContact CA-O 3.35Å; V45-V240 HydrophobicContact CG2-CB 4.42Å; V45-L248 HydrophobicContact CG1-CD1 3.56Å; V45-L248 HydrophobicContact CG1-CD2 3.91Å; V45-L248 HydrophobicContact CG1-CG 3.69Å; V45-L252 HydrophobicContact CG1-CD2 4.18Å; V45-L252 HydrophobicContact CG2-CD1 3.67Å; V45-L252 HydrophobicContact CG2-CD2 4.05Å; V45-L252 HydrophobicContact CG2-CG 4.39Å; V45-L272 PolarHBondContact N-O 2.66Å; V45-F273 HydrophobicContact CB-CD1 4.47Å; V45-F273 HydrophobicContact CG2-CD1 3.71Å; V45-F273 HydrophobicContact CG2-CE1 4.22Å; V45-G274 WeakPolarHBondContact O-CA 3.38Å; V45-G274 PolarHBondContact O-N 2.94Å; V45-V275 PolarHBondContact O-N 2.88Å
46	A	59.6	Low	47.9	Very low	20 Å²	20	53.9 Å²	53.9	17%	0.165	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	127.4	-173.8	0	0	0	0	0	112.4	L239 V240 R241 L248 V275	A46-L239 HydrophobicContact CB-CD1 4.36Å; A46-V240 PolarHBondContact N-O 3.03Å; A46-R241 HydrophobicContact CB-CB 4.42Å; A46-L248 WeakPolarHBondContact O-CD1 3.4Å; A46-L248 WeakPolarHBondContact O-CD2 3.44Å; A46-V275 VanDerWaalsContact CA-O 3.27Å; A46-V275 WeakPolarHBondContact CA-O 3.44Å
47	A	54.9	Low	47.9	Very low	12 Å²	12	55.5 Å²	55.5	10%	0.099	30%	0.297	C	S	.	.			trans	-110.1	151.9	-175.5	0	0	0	0	0	113.4	F94 L245 L248 V275	A47-F94 HydrophobicContact CB-CE2 3.74Å; A47-F94 HydrophobicContact CB-CZ 3.74Å; A47-L245 HydrophobicContact CB-CD2 4.47Å; A47-L248 HydrophobicContact CB-CD2 3.69Å; A47-V275 PolarHBondContact N-O 2.99Å
48	P	49.7	Very low	47.9	Very low	47 Å²	47	57.1 Å²	57.1	31%	0.305	31%	0.314	S	S	.	.			trans	-66.6	151.7	176.2	30.1	-38	0	0	0	112.4	S243	P48-S243 WeakPolarHBondContact CB-O 3.2Å; P48-S243 WeakPolarHBondContact CG-O 3.25Å
49	A	45.7	Very low	47.5	Very low	47 Å²	47	64.6 Å²	64.6	39%	0.388	35%	0.349	S	S	.	.	S	Bend	trans	-90.8	105.5	176.2	0	0	0	0	0	111.2	A287	A49-A287 HydrophobicContact CB-CB 4.06Å
50	S	47.2	Very low	47	Very low	77 Å²	77	70 Å²	70	54%	0.538	38%	0.377	S	S	.	.			trans	52.5	136.1	175.5	70.4	0	0	0	0	119.2	D52 V53	S50-D52 PolarHBondContact O-N 3.24Å; S50-V53 PolarHBondContact O-N 3.47Å
51	E	39.2	Very low	46.3	Very low	126 Å²	126	76.9 Å²	76.9	59%	0.589	41%	0.413	S	S	*	.	H	α-helix	trans	-62.7	-26.1	-179.3	-64.6	-177.8	124.9	0	0	114.1	V53 T54 R55	E51-V53 VanDerWaalsContact C-N 3.27Å; E51-V53 PolarHBondContact O-N 2.98Å; E51-T54 PolarHBondContact O-N 3.4Å; E51-R55 PolarHBondContact O-N 2.61Å
52	D	40.5	Very low	45.2	Very low	121 Å²	121	81.5 Å²	81.5	65%	0.647	44%	0.44	S	S	*	.	H	α-helix	trans	-62.5	-30.6	-178.1	-74.9	-42.6	0	0	0	113.6	S50 K56	S50-D52 PolarHBondContact O-N 3.24Å; D52-K56 PolarHBondContact O-N 2.84Å
53	V	39	Very low	43.7	Very low	96 Å²	96	82 Å²	82	58%	0.582	46%	0.461	S	S	*	.	H	α-helix	trans	-73.5	-39	178	-174.8	0	0	0	0	110.2	S50 E51 A57	S50-V53 PolarHBondContact O-N 3.47Å; E51-V53 VanDerWaalsContact C-N 3.27Å; E51-V53 PolarHBondContact O-N 2.98Å; V53-A57 PolarHBondContact O-N 3.41Å; V53-A57 VanDerWaalsContact O-N 3.15Å
54	T	37.5	Very low	42.3	Very low	74 Å²	74	91 Å²	91	45%	0.454	50%	0.503	S	S	.	.	H	α-helix	trans	-71.2	-39.2	-179.1	-29.5	0	0	0	0	111.9	E51 A57 A58	E51-T54 PolarHBondContact O-N 3.4Å; T54-A57 PolarHBondContact O-N 3.44Å; T54-A58 WeakPolarHBondContact O-CB 3.47Å; T54-A58 PolarHBondContact O-N 3.42Å
55	R	35.1	Very low	40.6	Very low	182 Å²	182	101.8 Å²	101.8	69%	0.687	54%	0.544	S	S	*	.	H	α-helix	trans	-64	-41.6	175.6	-93.9	-176.8	174.2	155.5	0.8	112.9	E51 A58 H59	E51-R55 PolarHBondContact O-N 2.61Å; R55-A58 PolarHBondContact O-N 3.42Å; R55-H59 PolarHBondContact O-N 2.68Å
56	K	37.1	Very low	39.3	Very low	156 Å²	156	106.5 Å²	106.5	68%	0.678	58%	0.577	S	S	*	*	H	α-helix	trans	-64	-44.6	175	-82.9	-176.7	170.9	-180	0	112.2	D52 A58 H59 E60	D52-K56 PolarHBondContact O-N 2.84Å; K56-A58 VanDerWaalsContact C-N 3.33Å; K56-A58 PolarHBondContact O-N 3.47Å; K56-H59 PolarHBondContact O-N 2.69Å; K56-E60 PolarHBondContact O-N 3.49Å
57	A	33.9	Very low	37.9	Very low	51 Å²	51	113.1 Å²	113.1	42%	0.421	61%	0.609	S	S	.	*	H	α-helix	trans	-63	-36.5	177.1	0	0	0	0	0	113.1	V53 T54 L61	V53-A57 PolarHBondContact O-N 3.41Å; V53-A57 VanDerWaalsContact O-N 3.15Å; T54-A57 PolarHBondContact O-N 3.44Å; A57-L61 WeakPolarHBondContact O-CD1 3.47Å
58	A	36.3	Very low	36.7	Very low	57 Å²	57	118.5 Å²	118.5	47%	0.471	64%	0.636	S	S	.	*	H	α-helix	trans	-70.6	-42.7	177.4	0	0	0	0	0	112.7	T54 R55 K56 E60 L61 T62	T54-A58 WeakPolarHBondContact O-CB 3.47Å; T54-A58 PolarHBondContact O-N 3.42Å; R55-A58 PolarHBondContact O-N 3.42Å; K56-A58 VanDerWaalsContact C-N 3.33Å; K56-A58 PolarHBondContact O-N 3.47Å; A58-E60 VanDerWaalsContact C-N 3.35Å; A58-E60 PolarHBondContact O-N 2.93Å; A58-L61 PolarHBondContact O-N 3.13Å; A58-T62 PolarHBondContact O-OG1 2.81Å
59	H	36.5	Very low	35.7	Very low	158 Å²	158	122.5 Å²	122.5	73%	0.731	66%	0.655	S	S	*	*	H	α-helix	trans	-69.2	-28.1	-179	-112.9	-72	0	0	0	113.9	R55 K56 L61	R55-H59 PolarHBondContact O-N 2.68Å; K56-H59 PolarHBondContact O-N 2.69Å; H59-L61 VanDerWaalsContact C-N 3.33Å
60	E	38.3	Very low	35.1	Very low	169 Å²	169	126 Å²	126	79%	0.79	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-9.9	176.6	-70.9	-178.7	171.1	0	0	113.7	K56 A58	K56-E60 PolarHBondContact O-N 3.49Å; A58-E60 VanDerWaalsContact C-N 3.35Å; A58-E60 PolarHBondContact O-N 2.93Å
61	L	37.6	Very low	34.3	Very low	148 Å²	148	126.7 Å²	126.7	78%	0.775	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	-5.4	-177.5	-83.4	167.5	0	0	0	114.9	A57 A58 H59	A57-L61 WeakPolarHBondContact O-CD1 3.47Å; A58-L61 PolarHBondContact O-N 3.13Å; H59-L61 VanDerWaalsContact C-N 3.33Å
62	T	32.2	Very low	34	Very low	116 Å²	116	126 Å²	126	71%	0.712	69%	0.694	S	S	*	*			trans	-118.3	71.9	-179.9	54.7	0	0	0	0	112.4	A58	A58-T62 PolarHBondContact O-OG1 2.81Å
63	G	32.1	Very low	33.5	Very low	63 Å²	63	128.1 Å²	128.1	65%	0.649	70%	0.703	S	S	*	*			trans	-112.5	126.8	168.5	0	0	0	0	0	111.6
64	Q	32.8	Very low	33.1	Very low	189 Å²	189	127.4 Å²	127.4	88%	0.883	71%	0.708	S	S	*	*			trans	75.3	140	-177.6	-53.6	-179	-16.7	0	0	115.4
65	R	29	Very low	32.7	Very low	228 Å²	228	132.6 Å²	132.6	86%	0.86	72%	0.724	S	S	*	*			cis	-168.3	172	-23.4	-126.2	178.3	-178.2	-176.4	-0.4	107.6
66	S	31.4	Very low	32.5	Very low	100 Å²	100	131.5 Å²	131.5	70%	0.699	73%	0.731	S	S	*	*			trans	65.4	112.3	175.2	44.7	0	0	0	0	116.5
67	L	29.4	Very low	32.1	Very low	158 Å²	158	127 Å²	127	83%	0.827	73%	0.729	S	S	*	*				75.9	113.7	80.8	-70.3	156.2	0	0	0	110.2
68	D	30.9	Very low	31.9	Very low	125 Å²	125	132.2 Å²	132.2	67%	0.668	75%	0.749	S	S	*	*				-162.6	150.4	57.1	-108.5	-14	0	0	0	115.6
69	N	29.1	Very low	31.5	Very low	132 Å²	132	135.7 Å²	135.7	71%	0.706	76%	0.764	S	S	*	*			trans	46.6	106.4	138.3	-55.5	-34	0	0	0	122.8
70	S	32.3	Very low	31.1	Very low	119 Å²	119	136 Å²	136	83%	0.832	77%	0.77	S	S	*	*				141.8	107.4	117	59.4	0	0	0	0	109.7
71	A	29.3	Very low	30.8	Very low	92 Å²	92	134.3 Å²	134.3	76%	0.76	77%	0.766	S	S	*	*				126.9	150.1	59.2	0	0	0	0	0	105.8
72	P	33.6	Very low	30.3	Very low	113 Å²	113	139.6 Å²	139.6	73%	0.734	78%	0.776	S	S	*	*				-129.8	-138.7	-120.3	41	-25	0	0	0	113.6
73	I	30.6	Very low	30.2	Very low	164 Å²	164	137.8 Å²	137.8	84%	0.841	78%	0.78	S	S	*	*			trans	88.2	127.9	175.9	-51.7	156.2	0	0	0	112.4
74	A	30.9	Very low	30.1	Very low	82 Å²	82	141 Å²	141	68%	0.678	78%	0.782	S	S	*	*			cis	-167.4	-175.9	-15.1	0	0	0	0	0	107.2
75	F	28	Very low	29.8	Very low	182 Å²	182	136.5 Å²	136.5	80%	0.798	77%	0.772	S	S	*	*			cis	-162.8	154.2	-6.6	-142.5	-146.6	0	0	0	108.8
76	L	32	Very low	29.8	Very low	159 Å²	159	131.6 Å²	131.6	83%	0.832	76%	0.761	S	S	*	*			trans	60.7	149.5	162.9	-57.9	162.6	0	0	0	118
77	G	27.8	Very low	29.6	Very low	62 Å²	62	135.9 Å²	135.9	64%	0.639	77%	0.77	S	S	*	*			cis	171.1	143.9	-7.1	0	0	0	0	0	112.1
78	L	30.3	Very low	29.7	Very low	160 Å²	160	131.1 Å²	131.1	84%	0.838	76%	0.759	S	S	*	*			trans	53.5	96.7	156.4	-73.3	139.5	0	0	0	120.3
79	T	27.6	Very low	29.7	Very low	130 Å²	130	130.6 Å²	130.6	80%	0.798	76%	0.755	S	S	*	*				24.9	100.9	113.5	-42	0	0	0	0	118.2
80	L	28	Very low	30	Very low	164 Å²	164	130.4 Å²	130.4	86%	0.859	75%	0.754	S	S	*	*			trans	-166.6	170.2	145.4	-105.6	155.9	0	0	0	109.1
81	L	31.3	Very low	30	Very low	134 Å²	134	133 Å²	133	70%	0.702	75%	0.753	S	S	*	*			trans	73	64.2	178.5	-51.9	172.5	0	0	0	117	G83 L84	L81-G83 PolarHBondContact O-N 3.41Å; L81-L84 HydrophobicContact CD1-CD1 4.25Å
82	R	27.1	Very low	30.2	Very low	260 Å²	260	133.2 Å²	133.2	98%	0.981	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	122.8	135.3	-76.1	179	172.4	165.2	-2.7	107.3
83	G	30.8	Very low	30.6	Very low	78 Å²	78	134.8 Å²	134.8	80%	0.804	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	135.4	-1.3	164.3	0	0	0	0	0	119.2	L81	L81-G83 PolarHBondContact O-N 3.41Å
84	L	29.6	Very low	31.4	Very low	129 Å²	129	129.6 Å²	129.6	68%	0.675	71%	0.714	S	S	*	*			trans	-106.9	115.6	178	-79.4	167.4	0	0	0	113	L81 I86	L81-L84 HydrophobicContact CD1-CD1 4.25Å; L84-I86 PolarHBondContact O-N 3.17Å
85	S	26.2	Very low	32.6	Very low	96 Å²	96	129.6 Å²	129.6	67%	0.671	70%	0.702	S	S	*	*			trans	-76.8	108.9	168.5	179.3	0	0	0	0	109.7
86	I	28.9	Very low	33.8	Very low	124 Å²	124	128.7 Å²	128.7	64%	0.636	70%	0.698	S	S	*	*			trans	-105.8	85.9	172.8	-54.5	-180	0	0	0	108.7	L84 G88 I89	L84-I86 PolarHBondContact O-N 3.17Å; I86-G88 VanDerWaalsContact C-N 3.29Å; I86-I89 HydrophobicContact CG2-CB 4.47Å; I86-I89 HydrophobicContact CG2-CD1 3.68Å; I86-I89 HydrophobicContact CG2-CG1 3.79Å
87	Q	29	Very low	35.5	Very low	191 Å²	191	123 Å²	123	89%	0.893	67%	0.67	S	S	*	*			trans	-84.4	4.7	175.2	-76.2	-175.6	-20.2	0	0	114
88	G	30.6	Very low	37.8	Very low	58 Å²	58	120.9 Å²	120.9	60%	0.598	64%	0.644	S	S	*	*	S	Bend	trans	-104.5	-15	-162.1	0	0	0	0	0	119.3	I86	I86-G88 VanDerWaalsContact C-N 3.29Å
89	I	30.7	Very low	40.1	Very low	113 Å²	113	118.1 Å²	118.1	58%	0.579	63%	0.625	S	S	*	*	S	Bend	trans	-103.8	-26.6	-157	-59.7	-176.3	0	0	0	115.3	I86 T92	I86-I89 HydrophobicContact CG2-CB 4.47Å; I86-I89 HydrophobicContact CG2-CD1 3.68Å; I86-I89 HydrophobicContact CG2-CG1 3.79Å; I89-T92 PolarHBondContact O-OG1 3.25Å
90	N	35	Very low	42.7	Very low	128 Å²	128	114.5 Å²	114.5	68%	0.684	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-6.7	-170.2	-75.5	2.6	0	0	0	116.5
91	Q	32.5	Very low	45.4	Very low	174 Å²	174	106.8 Å²	106.8	81%	0.813	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-25	177.5	-77.1	-173	-9.7	0	0	113.8
92	T	33.6	Very low	48	Very low	96 Å²	96	101.4 Å²	101.4	59%	0.589	54%	0.537	S	S	*	.	H	α-helix	trans	-74.3	-37.1	-171.5	52.6	0	0	0	0	113.4	I89 F94 D95 F96	I89-T92 PolarHBondContact O-OG1 3.25Å; T92-F94 PolarHBondContact O-N 3.14Å; T92-D95 PolarHBondContact O-N 3.25Å; T92-F96 PolarHBondContact O-N 3.01Å
93	H	42.1	Very low	50.9	Low	146 Å²	146	95.3 Å²	95.3	68%	0.676	52%	0.519	S	S	*	.	H	α-helix	trans	-72.9	-29.4	-173.4	-145.4	-65.6	0	0	0	113.8	T97	H93-T97 PolarHBondContact O-OG1 2.86Å
94	F	48.1	Very low	53.8	Low	55 Å²	55	95.2 Å²	95.2	24%	0.241	50%	0.498	C	S	.	.	H	α-helix	trans	-62.6	-49	174.4	-173.2	-75.8	0	0	0	111	A47 T92 T97 I98 L245 G274	A47-F94 HydrophobicContact CB-CE2 3.74Å; A47-F94 HydrophobicContact CB-CZ 3.74Å; T92-F94 PolarHBondContact O-N 3.14Å; F94-T97 PolarHBondContact O-N 3.04Å; F94-I98 HydrophobicContact CD1-CD1 4.44Å; F94-I98 HydrophobicContact CE1-CD1 3.88Å; F94-I98 HydrophobicContact CZ-CD1 4.24Å; F94-L245 HydrophobicContact CD2-CD1 3.59Å; F94-L245 HydrophobicContact CD2-CD2 3.53Å; F94-L245 HydrophobicContact CD2-CG 4.18Å; F94-L245 HydrophobicContact CE2-CD1 4.03Å; F94-L245 HydrophobicContact CE2-CD2 3.29Å; F94-L245 HydrophobicContact CE2-CG 4.18Å; F94-L245 HydrophobicContact CG-CD2 4.48Å; F94-L245 HydrophobicContact CZ-CD2 4.06Å; F94-G274 WeakPolarHBondContact CZ-O 3.32Å
95	D	55	Low	56.6	Low	83 Å²	83	89.1 Å²	89.1	44%	0.444	47%	0.466	S	S	.	.	H	α-helix	trans	-72.6	-34.7	-168.3	-135.2	37.1	0	0	0	112	T92 K99	T92-D95 PolarHBondContact O-N 3.25Å; D95-K99 VanDerWaalsContact O-CD 3.27Å; D95-K99 WeakPolarHBondContact O-CD 3.49Å; D95-K99 WeakPolarHBondContact O-CG 3.4Å; D95-K99 PolarHBondContact O-N 2.99Å; D95-K99 WeakPolarHBondContact OD2-CE 3.42Å; D95-K99 IonicContact OD2-NZ 3.36Å; D95-K99 PolarHBondContact OD2-NZ 3.01Å
96	F	54.8	Low	59.6	Low	162 Å²	162	88 Å²	88	71%	0.711	46%	0.458	S	S	*	.	H	α-helix	trans	-68.2	-43.1	177.1	-164.9	-96.7	0	0	0	112.5	T92 I98 K99 S100	T92-F96 PolarHBondContact O-N 3.01Å; F96-I98 PolarHBondContact O-N 3.36Å; F96-K99 PolarHBondContact O-N 3.2Å; F96-S100 PolarHBondContact O-N 3.39Å
97	T	66.2	Low	62.4	Low	39 Å²	39	84.3 Å²	84.3	24%	0.239	44%	0.44	C	S	.	.	H	α-helix	trans	-68.6	-36	-170.4	-51.1	0	0	0	0	112.9	H93 F94 R249	H93-T97 PolarHBondContact O-OG1 2.86Å; F94-T97 PolarHBondContact O-N 3.04Å; T97-R249 HydrophobicContact CG2-CG 4.38Å
98	I	76	Confident	65.2	Low	18 Å²	18	75.3 Å²	75.3	9%	0.092	40%	0.398	C	S	.	.	H	α-helix	trans	-80.7	-36.4	178	-61.9	179	0	0	0	111.2	F94 F96 S100 L101 L102 L252 F273	F94-I98 HydrophobicContact CD1-CD1 4.44Å; F94-I98 HydrophobicContact CE1-CD1 3.88Å; F94-I98 HydrophobicContact CZ-CD1 4.24Å; F96-I98 PolarHBondContact O-N 3.36Å; I98-S100 PolarHBondContact O-N 3.33Å; I98-L101 WeakPolarHBondContact O-CB 3.1Å; I98-L101 PolarHBondContact O-N 3.06Å; I98-L101 VanDerWaalsContact O-N 3.15Å; I98-L102 HydrophobicContact CG2-CD1 4.15Å; I98-L102 HydrophobicContact CG2-CG 4.29Å; I98-L102 WeakPolarHBondContact O-CG 3.26Å; I98-L102 PolarHBondContact O-N 2.97Å; I98-L252 HydrophobicContact CG2-CD2 4.32Å; I98-F273 HydrophobicContact CG2-CB 4.19Å
99	K	79.4	Confident	67.9	Low	102 Å²	102	73.3 Å²	73.3	44%	0.443	37%	0.373	S	S	.	.	H	α-helix	trans	-59	-47.9	177.9	-75.2	171.7	-165.6	172.6	0	112.1	D95 F96 L101 L102 E103	D95-K99 VanDerWaalsContact O-CD 3.27Å; D95-K99 WeakPolarHBondContact O-CD 3.49Å; D95-K99 WeakPolarHBondContact O-CG 3.4Å; D95-K99 PolarHBondContact O-N 2.99Å; D95-K99 WeakPolarHBondContact OD2-CE 3.42Å; D95-K99 IonicContact OD2-NZ 3.36Å; D95-K99 PolarHBondContact OD2-NZ 3.01Å; F96-K99 PolarHBondContact O-N 3.2Å; K99-L101 VanDerWaalsContact C-N 3.25Å; K99-L101 PolarHBondContact O-N 3.42Å; K99-L102 PolarHBondContact O-N 3.4Å; K99-E103 PolarHBondContact O-N 3.21Å
100	S	82.3	Confident	70.3	Confident	54 Å²	54	73.5 Å²	73.5	38%	0.378	37%	0.369	S	S	.	.	H	α-helix	trans	-54.7	-39.3	174.9	173.5	0	0	0	0	112.7	F96 I98 E103 E104	F96-S100 PolarHBondContact O-N 3.39Å; I98-S100 PolarHBondContact O-N 3.33Å; S100-E103 PolarHBondContact O-N 3.5Å; S100-E104 WeakPolarHBondContact O-CB 3.19Å; S100-E104 PolarHBondContact O-N 3.23Å
101	L	85.4	Confident	72.2	Confident	2 Å²	2	74.8 Å²	74.8	1%	0.01	37%	0.371	C	S	.	.	H	α-helix	trans	-69.7	-35.3	176	-173.4	68.1	0	0	0	112.7	I98 K99 E103 E104 F105 R249 L252 R253 L256	I98-L101 WeakPolarHBondContact O-CB 3.1Å; I98-L101 PolarHBondContact O-N 3.06Å; I98-L101 VanDerWaalsContact O-N 3.15Å; K99-L101 VanDerWaalsContact C-N 3.25Å; K99-L101 PolarHBondContact O-N 3.42Å; L101-E103 VanDerWaalsContact C-N 3.31Å; L101-E104 WeakPolarHBondContact CD1-OE2 3.32Å; L101-E104 PolarHBondContact O-N 3.41Å; L101-F105 HydrophobicContact CD1-CD2 3.78Å; L101-F105 HydrophobicContact CD1-CE2 3.63Å; L101-F105 HydrophobicContact CG-CD2 4.29Å; L101-F105 WeakPolarHBondContact O-CD2 3.36Å; L101-F105 PolarHBondContact O-N 3.44Å; L101-F105 VanDerWaalsContact O-N 3.14Å; L101-R249 HydrophobicContact CD2-CG 4.47Å; L101-L252 HydrophobicContact CD2-CB 4.15Å; L101-L252 HydrophobicContact CD2-CD2 3.81Å; L101-L252 HydrophobicContact CD2-CG 3.76Å; L101-R253 HydrophobicContact CD1-CB 3.83Å; L101-R253 HydrophobicContact CD1-CG 4.01Å; L101-R253 HydrophobicContact CD2-CB 4.2Å; L101-L256 HydrophobicContact CD2-CD1 4.25Å; L101-L256 HydrophobicContact CG-CD1 4.1Å
102	L	85.9	Confident	74.1	Confident	21 Å²	21	70.2 Å²	70.2	11%	0.11	35%	0.353	C	S	.	.	H	α-helix	trans	-73	-25.7	176.8	-64.1	176.5	0	0	0	112.8	I98 K99 S106 F109 L256 F273	I98-L102 HydrophobicContact CG2-CD1 4.15Å; I98-L102 HydrophobicContact CG2-CG 4.29Å; I98-L102 WeakPolarHBondContact O-CG 3.26Å; I98-L102 PolarHBondContact O-N 2.97Å; K99-L102 PolarHBondContact O-N 3.4Å; L102-S106 PolarHBondContact O-N 3.41Å; L102-F109 HydrophobicContact CD2-CE2 3.75Å; L102-F109 HydrophobicContact CD2-CZ 3.76Å; L102-L256 HydrophobicContact CD2-CD1 4.44Å; L102-F273 HydrophobicContact CD1-CB 4.49Å; L102-F273 HydrophobicContact CD1-CD1 4.3Å; L102-F273 HydrophobicContact CD1-CD2 3.79Å; L102-F273 HydrophobicContact CD1-CE2 4.04Å; L102-F273 HydrophobicContact CD1-CG 3.93Å; L102-F273 HydrophobicContact CD1-CZ 4.41Å; L102-F273 HydrophobicContact CD2-CD1 3.94Å; L102-F273 HydrophobicContact CD2-CD2 4.44Å; L102-F273 HydrophobicContact CD2-CE1 3.56Å; L102-F273 HydrophobicContact CD2-CE2 4.09Å; L102-F273 HydrophobicContact CD2-CG 4.38Å; L102-F273 HydrophobicContact CD2-CZ 3.63Å
103	E	87	Confident	75.7	Confident	133 Å²	133	67.2 Å²	67.2	62%	0.621	33%	0.333	S	S	*	.	H	α-helix	trans	-74.2	-46.4	170.3	-70.8	159.5	-168.3	0	0	110.8	K99 S100 L101 F105 S106	K99-E103 PolarHBondContact O-N 3.21Å; S100-E103 PolarHBondContact O-N 3.5Å; L101-E103 VanDerWaalsContact C-N 3.31Å; E103-F105 PolarHBondContact O-N 3.18Å; E103-S106 VanDerWaalsContact O-CB 3.27Å; E103-S106 WeakPolarHBondContact O-CB 3.4Å; E103-S106 PolarHBondContact O-N 3.3Å; E103-S106 VanDerWaalsContact O-N 3.11Å; E103-S106 PolarHBondContact O-OG 3.42Å
104	E	90.9	Very high	76.9	Confident	76 Å²	76	60.3 Å²	60.3	36%	0.355	30%	0.301	S	S	.	.	H	α-helix	trans	-52.3	-36.6	173.9	-173.6	-171.2	151.4	0	0	112.1	S100 L101 R253 R260	S100-E104 WeakPolarHBondContact O-CB 3.19Å; S100-E104 PolarHBondContact O-N 3.23Å; L101-E104 WeakPolarHBondContact CD1-OE2 3.32Å; L101-E104 PolarHBondContact O-N 3.41Å; E104-R253 IonicContact OE1-NE 2.85Å; E104-R253 PolarHBondContact OE1-NE 3.07Å; E104-R253 IonicContact OE1-NH2 2.83Å; E104-R253 IonicContact OE2-CZ 2.94Å; E104-R253 IonicContact OE2-NE 3.35Å; E104-R253 IonicContact OE2-NH2 3.37Å; E104-R253 PolarHBondContact OE2-NH2 3.28Å; E104-R260 PolarHBondContact O-NH1 3.4Å; E104-R260 PolarHBondContact O-NH2 3.16Å
105	F	90.3	Very high	77.9	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	27.5	180	-69.6	-86.5	0	0	0	114.3	L101 E103 D107 V108 F109 R253 L256 Q257 R260	L101-F105 HydrophobicContact CD1-CD2 3.78Å; L101-F105 HydrophobicContact CD1-CE2 3.63Å; L101-F105 HydrophobicContact CG-CD2 4.29Å; L101-F105 WeakPolarHBondContact O-CD2 3.36Å; L101-F105 PolarHBondContact O-N 3.44Å; L101-F105 VanDerWaalsContact O-N 3.14Å; E103-F105 PolarHBondContact O-N 3.18Å; F105-D107 VanDerWaalsContact C-OD1 3.31Å; F105-D107 PolarHBondContact O-N 3.22Å; F105-D107 VanDerWaalsContact O-N 3.13Å; F105-V108 HydrophobicContact CB-CG2 4.21Å; F105-V108 HydrophobicContact CD1-CG2 4.23Å; F105-V108 WeakPolarHBondContact O-CB 3.4Å; F105-V108 PolarHBondContact O-N 3.45Å; F105-F109 VanDerWaalsContact O-CD2 3.31Å; F105-F109 WeakPolarHBondContact O-CD2 3.34Å; F105-R253 HydrophobicContact CE2-CG 4.05Å; F105-R253 HydrophobicContact CZ-CG 4.21Å; F105-L256 HydrophobicContact CB-CB 4.08Å; F105-L256 HydrophobicContact CB-CD1 4.1Å; F105-L256 HydrophobicContact CB-CG 4.49Å; F105-L256 HydrophobicContact CD1-CB 3.72Å; F105-L256 HydrophobicContact CD2-CB 3.98Å; F105-L256 HydrophobicContact CD2-CD1 4.08Å; F105-L256 HydrophobicContact CE1-CB 4.13Å; F105-L256 HydrophobicContact CE2-CB 4.37Å; F105-L256 HydrophobicContact CG-CB 3.64Å; F105-L256 HydrophobicContact CG-CD1 4.17Å; F105-L256 HydrophobicContact CG-CG 4.46Å; F105-L256 HydrophobicContact CZ-CB 4.44Å; F105-Q257 HydrophobicContact CE1-CB 4.12Å; F105-Q257 HydrophobicContact CZ-CB 4.23Å; F105-R260 HydrophobicContact CD1-CB 4.35Å; F105-R260 HydrophobicContact CE1-CB 4.44Å
106	S	88.1	Confident	79	Confident	73 Å²	73	57.5 Å²	57.5	51%	0.51	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-57.4	-26.1	-178.2	51.5	0	0	0	0	115	L102 E103 F109	L102-S106 PolarHBondContact O-N 3.41Å; E103-S106 VanDerWaalsContact O-CB 3.27Å; E103-S106 WeakPolarHBondContact O-CB 3.4Å; E103-S106 PolarHBondContact O-N 3.3Å; E103-S106 VanDerWaalsContact O-N 3.11Å; E103-S106 PolarHBondContact O-OG 3.42Å; S106-F109 PolarHBondContact O-N 3.43Å
107	D	87.7	Confident	80.1	Confident	46 Å²	46	57 Å²	57	25%	0.246	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-63.9	-34.2	172.8	63.8	-41.1	0	0	0	113.7	F105 F109 R260 R265	F105-D107 VanDerWaalsContact C-OD1 3.31Å; F105-D107 PolarHBondContact O-N 3.22Å; F105-D107 VanDerWaalsContact O-N 3.13Å; D107-F109 PolarHBondContact O-N 3.4Å; D107-F109 VanDerWaalsContact O-N 3.16Å; D107-R260 IonicContact OD1-CZ 3.79Å; D107-R260 VanDerWaalsContact OD1-CZ 3.3Å; D107-R260 IonicContact OD1-NE 3.5Å; D107-R260 PolarHBondContact OD1-NE 3.08Å; D107-R260 IonicContact OD1-NH2 2.72Å; D107-R260 PolarHBondContact OD1-NH2 3.18Å; D107-R260 IonicContact OD2-CZ 3.41Å; D107-R260 IonicContact OD2-NE 3.32Å; D107-R260 PolarHBondContact OD2-NE 2.65Å; D107-R260 IonicContact OD2-NH2 3.01Å; D107-R265 PolarHBondContact O-NH1 2.96Å
108	V	88.4	Confident	80.5	Confident	2 Å²	2	56.4 Å²	56.4	1%	0.012	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-64.4	-19.8	177.2	-177.1	0	0	0	0	111.4	F105 L256 L259 R260 R265 A266	F105-V108 HydrophobicContact CB-CG2 4.21Å; F105-V108 HydrophobicContact CD1-CG2 4.23Å; F105-V108 WeakPolarHBondContact O-CB 3.4Å; F105-V108 PolarHBondContact O-N 3.45Å; V108-L256 HydrophobicContact CG1-CD2 4.38Å; V108-L259 HydrophobicContact CG1-CB 3.83Å; V108-L259 HydrophobicContact CG1-CD1 4.07Å; V108-R260 HydrophobicContact CG2-CB 3.88Å; V108-R265 CarbonylContact O-C 3.49Å; V108-R265 WeakPolarHBondContact O-CA 3.37Å; V108-R265 WeakPolarHBondContact O-CB 3.49Å; V108-R265 WeakPolarHBondContact O-CG 3.24Å; V108-A266 PolarHBondContact O-N 3.39Å
109	F	85.8	Confident	80.5	Confident	17 Å²	17	60.6 Å²	60.6	8%	0.075	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-105	2.8	-172	-65.1	-67.2	0	0	0	115.8	L102 F105 S106 D107 L256 A266 K268 F273	L102-F109 HydrophobicContact CD2-CE2 3.75Å; L102-F109 HydrophobicContact CD2-CZ 3.76Å; F105-F109 VanDerWaalsContact O-CD2 3.31Å; F105-F109 WeakPolarHBondContact O-CD2 3.34Å; S106-F109 PolarHBondContact O-N 3.43Å; D107-F109 PolarHBondContact O-N 3.4Å; D107-F109 VanDerWaalsContact O-N 3.16Å; F109-L256 HydrophobicContact CE2-CD2 4.06Å; F109-L256 HydrophobicContact CZ-CD2 3.69Å; F109-A266 HydrophobicContact CD1-CB 4.21Å; F109-A266 HydrophobicContact CE1-CB 3.97Å; F109-K268 HydrophobicContact CB-CB 4.17Å; F109-K268 HydrophobicContact CB-CD 4.27Å; F109-K268 HydrophobicContact CD1-CB 3.93Å; F109-K268 HydrophobicContact CD1-CG 4.26Å; F109-K268 HydrophobicContact CG-CB 4.33Å; F109-K268 HydrophobicContact CG-CD 4.45Å; F109-K268 HydrophobicContact CG-CG 4.48Å; F109-F273 AromaticContact CE1-CZ 3.9Å; F109-F273 HydrophobicContact CE1-CZ 3.9Å; F109-F273 HydrophobicContact CZ-CE1 4.38Å; F109-F273 AromaticContact CZ-CZ 3.78Å; F109-F273 HydrophobicContact CZ-CZ 3.78Å
110	K	82.4	Confident	80.3	Confident	116 Å²	116	60.9 Å²	60.9	50%	0.504	32%	0.323	S	S	.	.			trans	-60.5	162.6	-179.8	-62.6	-173.7	178.2	-173.9	0	113.4	R39 D112	R39-K110 PolarHBondContact NH2-O 3.18Å; R39-K110 VanDerWaalsContact NH2-O 3.08Å; K110-D112 WeakPolarHBondContact CB-OD1 3.27Å
111	E	73.8	Confident	79.9	Confident	155 Å²	155	58.9 Å²	58.9	72%	0.724	31%	0.308	S	S	*	.	S	Bend	trans	-83.8	-31.9	-176.3	-71.4	-160.1	178.6	0	0	115.3	R39	R39-E111 PolarHBondContact NH1-O 2.71Å; R39-E111 VanDerWaalsContact NH1-O 3.11Å
112	D	73.4	Confident	79.4	Confident	79 Å²	79	63.1 Å²	63.1	42%	0.422	34%	0.335	S	S	.	.	S	Bend	trans	-59.8	142.2	164.3	70.3	-52.4	0	0	0	108.7	K110 R265	K110-D112 WeakPolarHBondContact CB-OD1 3.27Å; D112-R265 VanDerWaalsContact CG-NH2 3.34Å; D112-R265 WeakPolarHBondContact O-CD 3.22Å; D112-R265 PolarHBondContact O-NE 2.98Å; D112-R265 IonicContact OD1-CZ 3.49Å; D112-R265 IonicContact OD1-NE 2.72Å; D112-R265 IonicContact OD1-NH2 2.61Å; D112-R265 PolarHBondContact OD1-NH2 3.12Å; D112-R265 IonicContact OD2-CZ 2.74Å; D112-R265 IonicContact OD2-NE 3.01Å; D112-R265 IonicContact OD2-NH2 3.54Å; D112-R265 PolarHBondContact OD2-NH2 3.03Å
113	L	66.5	Low	79	Confident	33 Å²	33	63 Å²	63	17%	0.173	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-78.3	163.4	-178.4	-14.7	75	0	0	0	110.9	Q37 R39 S179 R265	Q37-L113 HydrophobicContact CB-CB 3.59Å; Q37-L113 HydrophobicContact CB-CD1 3.8Å; Q37-L113 HydrophobicContact CB-CD2 4.43Å; Q37-L113 HydrophobicContact CB-CG 4.1Å; Q37-L113 HydrophobicContact CG-CB 3.49Å; Q37-L113 VanDerWaalsContact CG-CB 3.49Å; Q37-L113 HydrophobicContact CG-CD1 3.5Å; Q37-L113 VanDerWaalsContact CG-CD1 3.5Å; Q37-L113 HydrophobicContact CG-CG 4.02Å; Q37-L113 WeakPolarHBondContact CG-O 3.34Å; R39-L113 HydrophobicContact CB-CB 4.4Å; L113-S179 VanDerWaalsContact CD2-O 3.3Å; L113-S179 WeakPolarHBondContact CD2-O 3.38Å; L113-R265 PolarHBondContact O-NE 3.16Å
114	G	67.8	Low	78.3	Confident	1 Å²	1	62 Å²	62	1%	0.01	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-102.9	135.2	-168.7	0	0	0	0	0	116.2	Q37 C38 Y116 G263	Q37-G114 CarbonylContact C-O 3.53Å; Q37-G114 WeakPolarHBondContact CA-O 3.4Å; Q37-G114 PolarHBondContact N-O 2.93Å; C38-G114 PolarHBondContact N-O 2.86Å; C38-G114 PolarHBondContact O-N 3.31Å; C38-G114 VanDerWaalsContact O-N 3.12Å; G114-Y116 PolarHBondContact O-N 3.43Å; G114-G263 CarbonylContact C-O 3.49Å; G114-G263 WeakPolarHBondContact CA-O 3.4Å
115	T	69.7	Low	77.5	Confident	56 Å²	56	63 Å²	63	34%	0.344	35%	0.346	S	S	.	.			trans	-63.1	112.3	177.3	-53	0	0	0	0	113	S36 K117 G263	S36-T115 WeakPolarHBondContact CA-OG1 3.5Å; S36-T115 WeakPolarHBondContact CB-OG1 3.18Å; T115-K117 HydrophobicContact CG2-CG 4.42Å; T115-K117 PolarHBondContact O-N 3.4Å; T115-G263 CarbonylContact C-O 3.58Å; T115-G263 PolarHBondContact N-O 3.49Å; T115-G263 CarbonylContact O-C 3.41Å; T115-G263 WeakPolarHBondContact O-CA 3.43Å
116	Y	77.2	Confident	76.7	Confident	23 Å²	23	67.4 Å²	67.4	9%	0.09	37%	0.37	C	S	.	.			trans	-67.1	121.2	166.2	-176.5	-117.1	0	0	0	110.5	G114 G118 L182 P183 V220 L224 T262 L264	G114-Y116 PolarHBondContact O-N 3.43Å; Y116-G118 VanDerWaalsContact CE1-CA 3.47Å; Y116-G118 VanDerWaalsContact CZ-CA 3.49Å; Y116-L182 HydrophobicContact CD1-CD2 3.95Å; Y116-L182 HydrophobicContact CE1-CD2 4.44Å; Y116-L182 HydrophobicContact CG-CD2 4.03Å; Y116-P183 HydrophobicContact CD1-CG 4.05Å; Y116-V220 HydrophobicContact CE2-CG1 4.21Å; Y116-L224 HydrophobicContact CE2-CD1 4.04Å; Y116-T262 CarbonylContact C-O 3.52Å; Y116-T262 VanDerWaalsContact CA-O 3.28Å; Y116-T262 WeakPolarHBondContact CA-O 3.2Å; Y116-T262 HydrophobicContact CE2-CG2 4.44Å; Y116-L264 HydrophobicContact CD2-CD2 3.92Å; Y116-L264 HydrophobicContact CD2-CG 4.18Å
117	K	77.5	Confident	76.2	Confident	150 Å²	150	70.2 Å²	70.2	65%	0.652	39%	0.386	S	S	*	.			trans	-99.1	4	-176.6	-63.9	-179.9	-179	173.2	0	114.5	T115 T262	T115-K117 HydrophobicContact CG2-CG 4.42Å; T115-K117 PolarHBondContact O-N 3.4Å; K117-T262 PolarHBondContact N-O 3.3Å
118	G	74.6	Confident	75.7	Confident	27 Å²	27	76.3 Å²	76.3	28%	0.278	41%	0.413	S	S	.	.	S	Bend	trans	-82.7	-173	178.2	0	0	0	0	0	113.4	Y116	Y116-G118 VanDerWaalsContact CE1-CA 3.47Å; Y116-G118 VanDerWaalsContact CZ-CA 3.49Å
119	P	76.7	Confident	75.2	Confident	106 Å²	106	80 Å²	80	69%	0.688	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-63.9	147.6	-179.1	27.1	-35.2	0	0	0	112.4
120	N	75.1	Confident	75	Confident	108 Å²	108	86 Å²	86	58%	0.578	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-61.4	145.7	176.5	-72.1	-18	0	0	0	111.9
121	V	73.7	Confident	75	Confident	12 Å²	12	83.7 Å²	83.7	7%	0.073	47%	0.465	C	S	.	.	B	Isolated β-bridge	trans	-86	124.5	175.2	174.3	0	0	0	0	110.7	L182 P183 V184 D185 L206 I216	V121-L182 HydrophobicContact CG2-CD1 4.36Å; V121-P183 WeakPolarHBondContact CB-O 3.3Å; V121-V184 HydrophobicContact CB-CG1 4.32Å; V121-V184 WeakPolarHBondContact O-CA 3.39Å; V121-D185 PolarHBondContact O-N 2.75Å; V121-L206 HydrophobicContact CG1-CD2 4.39Å; V121-I216 HydrophobicContact CB-CG2 4.43Å; V121-I216 HydrophobicContact CG1-CD1 3.86Å; V121-I216 HydrophobicContact CG1-CG2 3.64Å; V121-I216 HydrophobicContact CG2-CG2 3.86Å
122	T	75.9	Confident	75.3	Confident	92 Å²	92	80.5 Å²	80.5	56%	0.564	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-96.4	131.1	169.4	-56.9	0	0	0	0	111	P124 D185	T122-P124 WeakPolarHBondContact O-CD 3.48Å; T122-D185 WeakPolarHBondContact CA-OD2 3.29Å; T122-D185 WeakPolarHBondContact CB-OD2 3.08Å; T122-D185 WeakPolarHBondContact CG2-OD2 3.03Å; T122-D185 PolarHBondContact OG1-OD2 3.25Å
123	L	75.9	Confident	75.9	Confident	18 Å²	18	84.2 Å²	84.2	9%	0.094	46%	0.46	C	S	.	.			trans	-88.5	115.7	170.9	-65.6	178	0	0	0	109.8	L125 S188 Q192 L206 V210 V212 I216	L123-L125 PolarHBondContact O-N 3.38Å; L123-L125 VanDerWaalsContact O-N 3.12Å; L123-S188 PolarHBondContact N-OG 2.89Å; L123-Q192 HydrophobicContact CD1-CG 3.96Å; L123-L206 HydrophobicContact CD2-CD1 3.79Å; L123-V210 HydrophobicContact CD2-CG1 4.14Å; L123-V212 HydrophobicContact CD2-CG2 3.63Å; L123-I216 HydrophobicContact CD2-CD1 3.96Å
124	P	73.2	Confident	76.7	Confident	112 Å²	112	90.6 Å²	90.6	73%	0.727	48%	0.482	S	S	*	.			trans	-68.4	113.6	175.7	27.4	-33	0	0	0	109.9	T122	T122-P124 WeakPolarHBondContact O-CD 3.48Å
125	L	73.1	Confident	77.5	Confident	97 Å²	97	101.5 Å²	101.5	51%	0.508	52%	0.523	S	S	.	.			trans	-95.5	140.8	172.5	-61.4	176.8	0	0	0	109.6	L123 A191	L123-L125 PolarHBondContact O-N 3.38Å; L123-L125 VanDerWaalsContact O-N 3.12Å; L125-A191 HydrophobicContact CD1-CB 4.17Å; L125-A191 HydrophobicContact CD2-CB 4.39Å
126	D	75.1	Confident	78.1	Confident	93 Å²	93	100.5 Å²	100.5	50%	0.497	52%	0.52	S	S	.	.			trans	-75.2	120.2	171.2	-176.5	-21.7	0	0	0	108.7	E128 V129	D126-E128 PolarHBondContact O-N 2.93Å; D126-E128 PolarHBondContact OD1-N 3.18Å; D126-V129 HydrophobicContact CB-CB 4.39Å; D126-V129 HydrophobicContact CB-CG2 3.78Å; D126-V129 PolarHBondContact O-N 2.87Å
127	P	76	Confident	78.2	Confident	131 Å²	131	106.7 Å²	106.7	85%	0.851	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-15.5	-176.7	28	-35.6	0	0	0	113.9	V129	P127-V129 VanDerWaalsContact C-N 3.31Å
128	E	78.5	Confident	78.4	Confident	174 Å²	174	107.5 Å²	107.5	81%	0.813	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-12	173.2	-60.6	-168.9	169.4	0	0	112.8	D126	D126-E128 PolarHBondContact O-N 2.93Å; D126-E128 PolarHBondContact OD1-N 3.18Å
129	V	78.3	Confident	78.4	Confident	79 Å²	79	107.1 Å²	107.1	48%	0.479	55%	0.547	S	S	.	.	S	Bend	trans	-91.4	109.1	-176.6	179.6	0	0	0	0	111.6	D126 P127 W168	D126-V129 HydrophobicContact CB-CB 4.39Å; D126-V129 HydrophobicContact CB-CG2 3.78Å; D126-V129 PolarHBondContact O-N 2.87Å; P127-V129 VanDerWaalsContact C-N 3.31Å; V129-W168 HydrophobicContact CG1-CH2 4.32Å
130	L	80.2	Confident	78.2	Confident	143 Å²	143	106.1 Å²	106.1	75%	0.749	54%	0.54	S	S	*	.			trans	-66.5	147.4	176.4	-62.9	175.9	0	0	0	113
131	P	81.8	Confident	78.5	Confident	68 Å²	68	107 Å²	107	44%	0.442	55%	0.545	S	S	.	.			trans	-56.4	135.4	176	-27.3	35.6	0	0	0	114.8	K167 W168	P131-K167 HydrophobicContact CB-CB 3.97Å; P131-K167 WeakPolarHBondContact CB-O 3.4Å; P131-K167 HydrophobicContact CG-CB 4.28Å; P131-W168 HydrophobicContact CB-CD2 3.94Å; P131-W168 HydrophobicContact CB-CE3 4.41Å; P131-W168 HydrophobicContact CB-CG 4.31Å; P131-W168 HydrophobicContact CB-CZ2 4.06Å; P131-W168 HydrophobicContact CG-CZ2 4.05Å
132	I	81.3	Confident	78.6	Confident	89 Å²	89	110.8 Å²	110.8	46%	0.456	58%	0.577	S	S	.	*			trans	-109	115.5	-178.6	-56.5	177.8	0	0	0	110.5	R134 W168 S169	I132-R134 HydrophobicContact CG2-CG 4.16Å; I132-W168 HydrophobicContact CB-CE3 4.27Å; I132-W168 HydrophobicContact CB-CZ3 4.27Å; I132-W168 HydrophobicContact CG1-CZ3 4.17Å; I132-W168 WeakPolarHBondContact O-CA 3.41Å; I132-S169 PolarHBondContact O-N 3.08Å
133	R	84.9	Confident	78.5	Confident	157 Å²	157	109.7 Å²	109.7	59%	0.592	57%	0.566	S	S	*	*	B	Isolated β-bridge	trans	-106.9	111.8	176	-164.9	178.7	176.4	170	-0.4	111.1	S169	R133-S169 WeakPolarHBondContact CA-OG 3.46Å; R133-S169 WeakPolarHBondContact CG-OG 3.41Å
134	R	84.6	Confident	78.7	Confident	167 Å²	167	113.1 Å²	113.1	63%	0.63	58%	0.578	S	S	*	*			trans	-109	151.6	174.1	-62.6	-169.4	179.2	-149.5	0.2	112.2	I132 S169	I132-R134 HydrophobicContact CG2-CG 4.16Å; R134-S169 WeakPolarHBondContact CB-O 3.48Å; R134-S169 PolarHBondContact N-O 3.37Å; R134-S169 PolarHBondContact N-OG 3.48Å; R134-S169 PolarHBondContact O-OG 3.05Å
135	R	84	Confident	79	Confident	230 Å²	230	111.5 Å²	111.5	87%	0.868	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-73.8	155.7	175.1	-61.7	-174.3	-177.6	-166.5	0.4	111.6
136	A	83.4	Confident	79.1	Confident	35 Å²	35	115.6 Å²	115.6	29%	0.289	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-63.2	156.3	171.4	0	0	0	0	0	112.1	I195 T196	A136-I195 HydrophobicContact CB-CG1 4.21Å; A136-I195 HydrophobicContact CB-CG2 4.18Å; A136-T196 VanDerWaalsContact CB-O 3.3Å; A136-T196 WeakPolarHBondContact CB-O 3.39Å
137	R	78.3	Confident	79.1	Confident	153 Å²	153	112.7 Å²	112.7	58%	0.577	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-83.8	145.6	169	-73	177.2	-178.3	-145.7	2.1	109.8	V139 P171	R137-V139 PolarHBondContact O-N 2.86Å; R137-P171 HydrophobicContact CG-CB 4.03Å
138	N	82	Confident	79.5	Confident	166 Å²	166	109.3 Å²	109.3	89%	0.888	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-64.1	129.9	169.9	-70.6	-7.1	0	0	0	109.7
139	V	75.2	Confident	79.7	Confident	20 Å²	20	105.5 Å²	105.5	12%	0.121	52%	0.522	C	S	.	.			trans	-107.2	124.1	-177.3	178.3	0	0	0	0	109.2	R137 I143 R144 I147	R137-V139 PolarHBondContact O-N 2.86Å; V139-I143 HydrophobicContact CG1-CD1 4.01Å; V139-I143 HydrophobicContact CG1-CG1 3.62Å; V139-R144 HydrophobicContact CB-CG 4.24Å; V139-R144 HydrophobicContact CG1-CG 3.71Å; V139-R144 PolarHBondContact O-NE 3.35Å; V139-R144 PolarHBondContact O-NH2 2.95Å; V139-I147 HydrophobicContact CG1-CD1 3.49Å; V139-I147 VanDerWaalsContact CG1-CD1 3.49Å
140	P	72.6	Confident	79.6	Confident	85 Å²	85	105.6 Å²	105.6	55%	0.552	52%	0.517	S	S	*	.			trans	-54.8	138.7	174.3	-25.6	34.1	0	0	0	112	A142 I143	P140-A142 VanDerWaalsContact C-N 3.28Å; P140-A142 PolarHBondContact O-N 3.36Å; P140-I143 HydrophobicContact CB-CG1 4.41Å; P140-I143 HydrophobicContact CG-CD1 4.49Å; P140-I143 WeakPolarHBondContact O-CG1 3.47Å; P140-I143 PolarHBondContact O-N 3.47Å; P140-I143 VanDerWaalsContact O-N 3.14Å
141	L	81.5	Confident	79.7	Confident	127 Å²	127	99.3 Å²	99.3	67%	0.665	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-54.1	-43.7	-174.4	-67.6	169.3	0	0	0	112.4	I143 R144 P145	L141-I143 PolarHBondContact O-N 2.96Å; L141-I143 VanDerWaalsContact O-N 3.07Å; L141-R144 PolarHBondContact O-N 3.28Å; L141-R144 VanDerWaalsContact O-N 3.09Å; L141-P145 WeakPolarHBondContact O-CD 3.19Å
142	A	74	Confident	79.8	Confident	90 Å²	90	102.7 Å²	102.7	74%	0.744	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-58.2	-22.9	-178.1	0	0	0	0	0	115.4	P140	P140-A142 VanDerWaalsContact C-N 3.28Å; P140-A142 PolarHBondContact O-N 3.36Å
143	I	75.3	Confident	80	Confident	69 Å²	69	103.1 Å²	103.1	35%	0.354	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-104.6	-7.7	179.1	68.7	173.7	0	0	0	113.7	V139 P140 L141 R146 I147 P174	V139-I143 HydrophobicContact CG1-CD1 4.01Å; V139-I143 HydrophobicContact CG1-CG1 3.62Å; P140-I143 HydrophobicContact CB-CG1 4.41Å; P140-I143 HydrophobicContact CG-CD1 4.49Å; P140-I143 WeakPolarHBondContact O-CG1 3.47Å; P140-I143 PolarHBondContact O-N 3.47Å; P140-I143 VanDerWaalsContact O-N 3.14Å; L141-I143 PolarHBondContact O-N 2.96Å; L141-I143 VanDerWaalsContact O-N 3.07Å; I143-R146 PolarHBondContact O-N 3.11Å; I143-I147 HydrophobicContact CB-CD1 4.33Å; I143-I147 HydrophobicContact CD1-CD1 3.95Å; I143-I147 HydrophobicContact CG1-CD1 3.83Å; I143-I147 WeakPolarHBondContact O-CD1 3.21Å; I143-I147 WeakPolarHBondContact O-CG1 3.5Å; I143-I147 PolarHBondContact O-N 3.06Å; I143-P174 HydrophobicContact CD1-CG 4.27Å
144	R	79.7	Confident	79.8	Confident	91 Å²	91	97.3 Å²	97.3	34%	0.343	47%	0.468	S	S	.	.	H	α-helix	trans	-58.9	-50	-180	-66.4	-174.6	-170.4	-178.7	2.7	112.7	V139 L141 R146 I147 E148	V139-R144 HydrophobicContact CB-CG 4.24Å; V139-R144 HydrophobicContact CG1-CG 3.71Å; V139-R144 PolarHBondContact O-NE 3.35Å; V139-R144 PolarHBondContact O-NH2 2.95Å; L141-R144 PolarHBondContact O-N 3.28Å; L141-R144 VanDerWaalsContact O-N 3.09Å; R144-R146 PolarHBondContact O-N 3.3Å; R144-R146 VanDerWaalsContact O-N 3.14Å; R144-I147 WeakPolarHBondContact O-CA 3.37Å; R144-I147 WeakPolarHBondContact O-CB 3.2Å; R144-I147 PolarHBondContact O-N 3.47Å; R144-E148 WeakPolarHBondContact O-CG 3.35Å; R144-E148 PolarHBondContact O-N 2.98Å
145	P	79	Confident	79.7	Confident	77 Å²	77	92.3 Å²	92.3	50%	0.5	45%	0.454	S	S	.	.	H	α-helix	trans	-58	-36.1	-178.1	-25.2	35.3	0	0	0	113.1	L141 T149	L141-P145 WeakPolarHBondContact O-CD 3.19Å; P145-T149 WeakPolarHBondContact O-CB 3.28Å; P145-T149 PolarHBondContact O-N 3Å; P145-T149 PolarHBondContact O-OG1 2.99Å
146	R	75.4	Confident	79.6	Confident	184 Å²	184	90.3 Å²	90.3	69%	0.694	45%	0.451	S	S	*	.	H	α-helix	trans	-68.4	-39	177.2	-56.7	-175.5	81.1	171.9	7.2	111.8	I143 R144 E150	I143-R146 PolarHBondContact O-N 3.11Å; R144-R146 PolarHBondContact O-N 3.3Å; R144-R146 VanDerWaalsContact O-N 3.14Å; R146-E150 WeakPolarHBondContact O-CB 2.96Å; R146-E150 PolarHBondContact O-N 3.03Å; R146-E150 VanDerWaalsContact O-N 3.09Å
147	I	75.8	Confident	79.3	Confident	32 Å²	32	90.8 Å²	90.8	16%	0.164	45%	0.448	C	S	.	.	H	α-helix	trans	-69.9	-41.2	176.5	-67.5	160	0	0	0	110.9	V139 I143 R144 E150 I151 P174	V139-I147 HydrophobicContact CG1-CD1 3.49Å; V139-I147 VanDerWaalsContact CG1-CD1 3.49Å; I143-I147 HydrophobicContact CB-CD1 4.33Å; I143-I147 HydrophobicContact CD1-CD1 3.95Å; I143-I147 HydrophobicContact CG1-CD1 3.83Å; I143-I147 WeakPolarHBondContact O-CD1 3.21Å; I143-I147 WeakPolarHBondContact O-CG1 3.5Å; I143-I147 PolarHBondContact O-N 3.06Å; R144-I147 WeakPolarHBondContact O-CA 3.37Å; R144-I147 WeakPolarHBondContact O-CB 3.2Å; R144-I147 PolarHBondContact O-N 3.47Å; I147-E150 PolarHBondContact O-N 3.04Å; I147-I151 HydrophobicContact CG2-CD1 3.73Å; I147-I151 HydrophobicContact CG2-CG1 4.4Å; I147-I151 WeakPolarHBondContact O-CB 3.22Å; I147-I151 VanDerWaalsContact O-CG1 3.25Å; I147-I151 WeakPolarHBondContact O-CG1 3.42Å; I147-I151 PolarHBondContact O-N 3.35Å; I147-P174 HydrophobicContact CD1-CB 4.12Å; I147-P174 HydrophobicContact CD1-CG 3.52Å; I147-P174 HydrophobicContact CG1-CB 4.35Å; I147-P174 HydrophobicContact CG1-CG 4.18Å
148	E	84.4	Confident	79.4	Confident	60 Å²	60	86.7 Å²	86.7	28%	0.28	44%	0.435	S	S	.	.	H	α-helix	trans	-64.3	-43.6	177	-66.3	175.6	-156.9	0	0	111.8	R144 E150 I151 K152 H197 L198	R144-E148 WeakPolarHBondContact O-CG 3.35Å; R144-E148 PolarHBondContact O-N 2.98Å; E148-E150 VanDerWaalsContact C-N 3.35Å; E148-I151 PolarHBondContact O-N 3.01Å; E148-K152 WeakPolarHBondContact O-CB 3.27Å; E148-K152 VanDerWaalsContact O-CG 3.32Å; E148-K152 WeakPolarHBondContact O-CG 3.34Å; E148-K152 PolarHBondContact O-N 2.61Å; E148-H197 IonicContact OE1-NE2 3.16Å; E148-L198 HydrophobicContact CG-CD1 4.16Å
149	T	81.3	Confident	79.2	Confident	93 Å²	93	79.6 Å²	79.6	57%	0.571	40%	0.398	S	S	*	.	H	α-helix	trans	-60.8	-43.3	173.9	-63.6	0	0	0	0	111.6	P145 K152 R153	P145-T149 WeakPolarHBondContact O-CB 3.28Å; P145-T149 PolarHBondContact O-N 3Å; P145-T149 PolarHBondContact O-OG1 2.99Å; T149-K152 PolarHBondContact O-N 3.43Å; T149-R153 PolarHBondContact O-N 3.04Å
150	E	76.8	Confident	79.6	Confident	81 Å²	81	79 Å²	79	38%	0.379	39%	0.394	S	S	.	.	H	α-helix	trans	-67.3	-40.6	177	-177.8	61.4	-174.5	0	0	112.1	R146 I147 E148 K152 R153 L154	R146-E150 WeakPolarHBondContact O-CB 2.96Å; R146-E150 PolarHBondContact O-N 3.03Å; R146-E150 VanDerWaalsContact O-N 3.09Å; I147-E150 PolarHBondContact O-N 3.04Å; E148-E150 VanDerWaalsContact C-N 3.35Å; E150-K152 VanDerWaalsContact C-N 3.34Å; E150-K152 PolarHBondContact O-N 2.76Å; E150-R153 WeakPolarHBondContact O-CB 3.07Å; E150-R153 PolarHBondContact O-N 3.15Å; E150-R153 IonicContact OE1-CZ 3.59Å; E150-R153 IonicContact OE1-NE 3.3Å; E150-R153 PolarHBondContact OE1-NE 3.42Å; E150-R153 IonicContact OE1-NH2 3.48Å; E150-R153 PolarHBondContact OE1-NH2 2.85Å; E150-R153 IonicContact OE2-CZ 3.72Å; E150-R153 IonicContact OE2-NE 2.93Å; E150-R153 PolarHBondContact OE2-NE 3.46Å; E150-R153 IonicContact OE2-NH2 3.75Å; E150-L154 HydrophobicContact CG-CD1 4.06Å; E150-L154 HydrophobicContact CG-CG 4.39Å; E150-L154 WeakPolarHBondContact O-CB 2.98Å; E150-L154 WeakPolarHBondContact O-CG 3.47Å; E150-L154 PolarHBondContact O-N 2.85Å
151	I	83.2	Confident	80.2	Confident	11 Å²	11	78 Å²	78	6%	0.056	38%	0.382	C	S	.	.	H	α-helix	trans	-61	-43.1	173.2	-70.1	164	0	0	0	110.6	I147 E148 R153 L154 L155 T196 L198 F201	I147-I151 HydrophobicContact CG2-CD1 3.73Å; I147-I151 HydrophobicContact CG2-CG1 4.4Å; I147-I151 WeakPolarHBondContact O-CB 3.22Å; I147-I151 VanDerWaalsContact O-CG1 3.25Å; I147-I151 WeakPolarHBondContact O-CG1 3.42Å; I147-I151 PolarHBondContact O-N 3.35Å; E148-I151 PolarHBondContact O-N 3.01Å; I151-R153 VanDerWaalsContact C-N 3.34Å; I151-R153 PolarHBondContact O-N 3.28Å; I151-L154 PolarHBondContact O-N 2.91Å; I151-L155 HydrophobicContact CG2-CD1 3.83Å; I151-L155 HydrophobicContact CG2-CG 4.32Å; I151-L155 WeakPolarHBondContact O-CB 3.16Å; I151-L155 VanDerWaalsContact O-CG 3.27Å; I151-L155 WeakPolarHBondContact O-CG 3.3Å; I151-L155 PolarHBondContact O-N 2.84Å; I151-T196 HydrophobicContact CD1-CG2 3.85Å; I151-L198 HydrophobicContact CD1-CD1 4.21Å; I151-F201 HydrophobicContact CG2-CE1 4.36Å; I151-F201 HydrophobicContact CG2-CE2 3.99Å; I151-F201 HydrophobicContact CG2-CZ 3.76Å
152	K	84.3	Confident	80.5	Confident	140 Å²	140	76.1 Å²	76.1	61%	0.609	38%	0.377	S	S	*	.	H	α-helix	trans	-61.2	-40.8	175.1	-73.4	170	-178.7	174.7	0	111.9	E148 T149 E150 K156	E148-K152 WeakPolarHBondContact O-CB 3.27Å; E148-K152 VanDerWaalsContact O-CG 3.32Å; E148-K152 WeakPolarHBondContact O-CG 3.34Å; E148-K152 PolarHBondContact O-N 2.61Å; T149-K152 PolarHBondContact O-N 3.43Å; E150-K152 VanDerWaalsContact C-N 3.34Å; E150-K152 PolarHBondContact O-N 2.76Å; K152-K156 WeakPolarHBondContact O-CB 3.37Å; K152-K156 PolarHBondContact O-N 3.12Å
153	R	83.5	Confident	81	Confident	98 Å²	98	73.8 Å²	73.8	37%	0.37	35%	0.352	S	S	.	.	H	α-helix	trans	-61.7	-49.2	173.8	-169	-173.1	72.5	78.7	7.9	111.4	T149 E150 I151 L155 K156 E157	T149-R153 PolarHBondContact O-N 3.04Å; E150-R153 WeakPolarHBondContact O-CB 3.07Å; E150-R153 PolarHBondContact O-N 3.15Å; E150-R153 IonicContact OE1-CZ 3.59Å; E150-R153 IonicContact OE1-NE 3.3Å; E150-R153 PolarHBondContact OE1-NE 3.42Å; E150-R153 IonicContact OE1-NH2 3.48Å; E150-R153 PolarHBondContact OE1-NH2 2.85Å; E150-R153 IonicContact OE2-CZ 3.72Å; E150-R153 IonicContact OE2-NE 2.93Å; E150-R153 PolarHBondContact OE2-NE 3.46Å; E150-R153 IonicContact OE2-NH2 3.75Å; I151-R153 VanDerWaalsContact C-N 3.34Å; I151-R153 PolarHBondContact O-N 3.28Å; R153-L155 VanDerWaalsContact C-N 3.33Å; R153-L155 PolarHBondContact O-N 3.25Å; R153-K156 PolarHBondContact O-N 3.11Å; R153-E157 WeakPolarHBondContact CG-OE1 3.46Å; R153-E157 IonicContact CZ-OE1 2.67Å; R153-E157 IonicContact CZ-OE2 3.6Å; R153-E157 IonicContact NH1-OE1 2.84Å; R153-E157 PolarHBondContact NH1-OE1 2.97Å; R153-E157 IonicContact NH1-OE2 3.17Å; R153-E157 PolarHBondContact NH1-OE2 3.22Å; R153-E157 IonicContact NH2-OE2 3.48Å; R153-E157 WeakPolarHBondContact O-CB 3.35Å; R153-E157 WeakPolarHBondContact O-CG 3.36Å; R153-E157 PolarHBondContact O-N 3.08Å
154	L	80.9	Confident	81.3	Confident	35 Å²	35	74.8 Å²	74.8	18%	0.183	37%	0.37	C	S	.	.	H	α-helix	trans	-66.9	-29.6	-179.8	-67.5	173.7	0	0	0	113.5	E150 I151 E158 V159 L160	E150-L154 HydrophobicContact CG-CD1 4.06Å; E150-L154 HydrophobicContact CG-CG 4.39Å; E150-L154 WeakPolarHBondContact O-CB 2.98Å; E150-L154 WeakPolarHBondContact O-CG 3.47Å; E150-L154 PolarHBondContact O-N 2.85Å; I151-L154 PolarHBondContact O-N 2.91Å; L154-E158 PolarHBondContact O-N 2.76Å; L154-V159 HydrophobicContact CB-CB 4.14Å; L154-V159 HydrophobicContact CD2-CB 3.95Å; L154-V159 HydrophobicContact CD2-CG1 4.07Å; L154-V159 HydrophobicContact CD2-CG2 3.74Å; L154-V159 WeakPolarHBondContact O-CB 3.39Å; L154-V159 PolarHBondContact O-N 2.93Å; L154-L160 HydrophobicContact CB-CD1 3.79Å; L154-L160 HydrophobicContact CB-CG 3.98Å; L154-L160 HydrophobicContact CD1-CD1 3.98Å; L154-L160 PolarHBondContact O-N 2.94Å
155	L	82.3	Confident	81.5	Confident	62 Å²	62	77 Å²	77	33%	0.325	39%	0.388	S	S	.	.	H	α-helix	trans	-70.8	-45.7	170	-73.8	166.3	0	0	0	111.1	I151 R153 E157 E158 L160 F201	I151-L155 HydrophobicContact CG2-CD1 3.83Å; I151-L155 HydrophobicContact CG2-CG 4.32Å; I151-L155 WeakPolarHBondContact O-CB 3.16Å; I151-L155 VanDerWaalsContact O-CG 3.27Å; I151-L155 WeakPolarHBondContact O-CG 3.3Å; I151-L155 PolarHBondContact O-N 2.84Å; R153-L155 VanDerWaalsContact C-N 3.33Å; R153-L155 PolarHBondContact O-N 3.25Å; L155-E157 VanDerWaalsContact C-N 3.26Å; L155-E157 PolarHBondContact O-N 3.16Å; L155-E158 PolarHBondContact O-N 3.11Å; L155-L160 HydrophobicContact CD2-CB 4.01Å; L155-L160 HydrophobicContact CG-CB 4.45Å; L155-F201 HydrophobicContact CD1-CE1 4.1Å; L155-F201 HydrophobicContact CD2-CD1 4.05Å; L155-F201 HydrophobicContact CD2-CE1 4Å; L155-F201 HydrophobicContact CG-CE1 4.47Å
156	K	83.8	Confident	81.7	Confident	187 Å²	187	73.5 Å²	73.5	81%	0.813	37%	0.366	S	S	*	.	H	α-helix	trans	-62	-32.9	176.2	-175.9	-179.5	178.6	-177.3	0	112.7	K152 R153 E158	K152-K156 WeakPolarHBondContact O-CB 3.37Å; K152-K156 PolarHBondContact O-N 3.12Å; R153-K156 PolarHBondContact O-N 3.11Å; K156-E158 VanDerWaalsContact C-N 3.32Å
157	E	76.5	Confident	82	Confident	46 Å²	46	70.7 Å²	70.7	22%	0.215	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	3.1	175.9	-73	172.1	-163.8	0	0	113.6	R153 L155 V159 R205	R153-E157 WeakPolarHBondContact CG-OE1 3.46Å; R153-E157 IonicContact CZ-OE1 2.67Å; R153-E157 IonicContact CZ-OE2 3.6Å; R153-E157 IonicContact NH1-OE1 2.84Å; R153-E157 PolarHBondContact NH1-OE1 2.97Å; R153-E157 IonicContact NH1-OE2 3.17Å; R153-E157 PolarHBondContact NH1-OE2 3.22Å; R153-E157 IonicContact NH2-OE2 3.48Å; R153-E157 WeakPolarHBondContact O-CB 3.35Å; R153-E157 WeakPolarHBondContact O-CG 3.36Å; R153-E157 PolarHBondContact O-N 3.08Å; L155-E157 VanDerWaalsContact C-N 3.26Å; L155-E157 PolarHBondContact O-N 3.16Å; E157-V159 HydrophobicContact CB-CG2 4.15Å; E157-V159 PolarHBondContact O-N 2.69Å; E157-R205 PolarHBondContact O-NH2 2.81Å
158	E	79.6	Confident	82.4	Confident	66 Å²	66	71.3 Å²	71.3	31%	0.308	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	27.4	-178.3	-52.8	-167.3	152.1	0	0	115.2	V34 L154 L155 K156 K204	V34-E158 WeakPolarHBondContact CG1-OE2 3.46Å; L154-E158 PolarHBondContact O-N 2.76Å; L155-E158 PolarHBondContact O-N 3.11Å; K156-E158 VanDerWaalsContact C-N 3.32Å; E158-K204 WeakPolarHBondContact O-CD 3.22Å
159	V	78.8	Confident	82.3	Confident	17 Å²	17	68.5 Å²	68.5	10%	0.103	35%	0.346	C	S	.	.	S	Bend	trans	-72.3	-35.7	169.8	-177.9	0	0	0	0	110.7	L154 E157 V203 K204	L154-V159 HydrophobicContact CB-CB 4.14Å; L154-V159 HydrophobicContact CD2-CB 3.95Å; L154-V159 HydrophobicContact CD2-CG1 4.07Å; L154-V159 HydrophobicContact CD2-CG2 3.74Å; L154-V159 WeakPolarHBondContact O-CB 3.39Å; L154-V159 PolarHBondContact O-N 2.93Å; E157-V159 HydrophobicContact CB-CG2 4.15Å; E157-V159 PolarHBondContact O-N 2.69Å; V159-V203 HydrophobicContact CG1-CG1 4.49Å; V159-K204 PolarHBondContact O-N 2.7Å
160	L	83.6	Confident	82.3	Confident	9 Å²	9	67.3 Å²	67.3	5%	0.047	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	150.6	-175.4	-63.8	-179.3	0	0	0	110.9	L154 L155 I194 F201 K202 V203	L154-L160 HydrophobicContact CB-CD1 3.79Å; L154-L160 HydrophobicContact CB-CG 3.98Å; L154-L160 HydrophobicContact CD1-CD1 3.98Å; L154-L160 PolarHBondContact O-N 2.94Å; L155-L160 HydrophobicContact CD2-CB 4.01Å; L155-L160 HydrophobicContact CG-CB 4.45Å; L160-I194 HydrophobicContact CD1-CD1 4.08Å; L160-I194 HydrophobicContact CD2-CD1 3.71Å; L160-I194 HydrophobicContact CD2-CG1 4.26Å; L160-F201 HydrophobicContact CB-CB 4.18Å; L160-F201 HydrophobicContact CB-CD1 4.48Å; L160-F201 HydrophobicContact CD1-CB 4.41Å; L160-F201 HydrophobicContact CD1-CG 4.43Å; L160-F201 HydrophobicContact CD2-CB 4.15Å; L160-F201 HydrophobicContact CG-CB 4.48Å; L160-K202 WeakPolarHBondContact CA-O 3.45Å; L160-V203 HydrophobicContact CD2-CB 4.37Å; L160-V203 HydrophobicContact CD2-CG1 4.21Å; L160-V203 HydrophobicContact CD2-CG2 3.95Å
161	E	85.3	Confident	82.5	Confident	64 Å²	64	64.8 Å²	64.8	30%	0.299	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	135.5	168	169.4	-169.7	123.9	0	0	109.1	F201 K202 K204	E161-F201 CarbonylContact O-C 3.52Å; E161-F201 WeakPolarHBondContact O-CA 3.31Å; E161-K202 HydrophobicContact CB-CD 4.32Å; E161-K202 HydrophobicContact CB-CG 3.9Å; E161-K202 HydrophobicContact CG-CD 4.39Å; E161-K202 HydrophobicContact CG-CG 4.42Å; E161-K202 PolarHBondContact N-O 3.36Å; E161-K202 VanDerWaalsContact N-O 3.1Å; E161-K202 PolarHBondContact O-N 3.4Å; E161-K202 WeakPolarHBondContact OE1-CD 3.03Å; E161-K202 WeakPolarHBondContact OE1-CE 3.49Å; E161-K202 IonicContact OE1-NZ 2.72Å; E161-K202 PolarHBondContact OE1-NZ 3.47Å; E161-K202 WeakPolarHBondContact OE2-CE 3.36Å; E161-K202 IonicContact OE2-NZ 2.76Å; E161-K202 PolarHBondContact OE2-NZ 2.86Å; E161-K202 VanDerWaalsContact OE2-NZ 3.1Å; E161-K204 WeakPolarHBondContact OE2-CE 3.42Å; E161-K204 IonicContact OE2-NZ 3.39Å; E161-K204 PolarHBondContact OE2-NZ 3.41Å
162	P	86.3	Confident	82.1	Confident	86 Å²	86	66.5 Å²	66.5	56%	0.558	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	141.4	-178.3	27.9	-35	0	0	0	112.1	F201	P162-F201 HydrophobicContact CB-CD1 4.11Å; P162-F201 HydrophobicContact CB-CE1 4.14Å
163	I	85.5	Confident	81.4	Confident	42 Å²	42	63.6 Å²	63.6	22%	0.215	33%	0.334	C	S	.	.			trans	-130.4	123.8	177.7	-176.9	167.1	0	0	0	111.1	P166 E190 T193 A200	I163-P166 HydrophobicContact CD1-CB 4.01Å; I163-P166 HydrophobicContact CG1-CB 4.2Å; I163-P166 HydrophobicContact CG2-CB 3.95Å; I163-P166 HydrophobicContact CG2-CG 4.38Å; I163-E190 HydrophobicContact CD1-CG 4.32Å; I163-T193 HydrophobicContact CG2-CG2 3.87Å; I163-A200 HydrophobicContact CG2-CB 3.84Å; I163-A200 PolarHBondContact N-O 3.38Å
164	A	82.4	Confident	80.1	Confident	89 Å²	89	62.2 Å²	62.2	74%	0.736	34%	0.338	S	S	*	.	S	Bend	trans	-72.8	-47.8	-176.1	0	0	0	0	0	113	P166	A164-P166 WeakPolarHBondContact O-CD 3.4Å
165	N	82.7	Confident	78.8	Confident	137 Å²	137	65 Å²	65	73%	0.733	36%	0.356	S	S	*	.	S	Bend	trans	-125.9	70.6	-172.9	-75.8	-46.7	0	0	0	112.2
166	P	83.2	Confident	77.3	Confident	5 Å²	5	69.7 Å²	69.7	3%	0.032	38%	0.38	C	S	.	.			trans	-75.6	134.9	-175.9	32.2	-37.6	0	0	0	112.7	I163 A164 W168 T193 A200	I163-P166 HydrophobicContact CD1-CB 4.01Å; I163-P166 HydrophobicContact CG1-CB 4.2Å; I163-P166 HydrophobicContact CG2-CB 3.95Å; I163-P166 HydrophobicContact CG2-CG 4.38Å; A164-P166 WeakPolarHBondContact O-CD 3.4Å; P166-W168 WeakPolarHBondContact CB-O 3.27Å; P166-T193 HydrophobicContact CB-CG2 3.84Å; P166-T193 HydrophobicContact CG-CG2 4.48Å; P166-A200 HydrophobicContact CG-CB 3.81Å
167	K	82.8	Confident	75.4	Confident	124 Å²	124	68.5 Å²	68.5	54%	0.539	38%	0.375	S	S	.	.	S	Bend	trans	-72.4	-35	171.9	-61.3	171.8	-155.5	128.5	0	112.2	P131 E190	P131-K167 HydrophobicContact CB-CB 3.97Å; P131-K167 WeakPolarHBondContact CB-O 3.4Å; P131-K167 HydrophobicContact CG-CB 4.28Å; K167-E190 VanDerWaalsContact CB-OE1 3.3Å; K167-E190 WeakPolarHBondContact CB-OE1 3.49Å; K167-E190 VanDerWaalsContact CD-OE1 3.27Å; K167-E190 WeakPolarHBondContact CD-OE1 3.37Å; K167-E190 WeakPolarHBondContact CG-OE1 3.25Å; K167-E190 PolarHBondContact N-OE1 3.42Å; K167-E190 IonicContact NZ-OE1 2.94Å; K167-E190 PolarHBondContact NZ-OE1 3.17Å; K167-E190 IonicContact NZ-OE2 2.69Å; K167-E190 PolarHBondContact NZ-OE2 2.83Å
168	W	83.3	Confident	73.8	Confident	45 Å²	45	71.9 Å²	71.9	17%	0.17	40%	0.401	C	S	.	.			trans	-109.3	142.4	177.8	-59.4	91.4	0	0	0	110.4	V129 P131 I132 P166 T193	V129-W168 HydrophobicContact CG1-CH2 4.32Å; P131-W168 HydrophobicContact CB-CD2 3.94Å; P131-W168 HydrophobicContact CB-CE3 4.41Å; P131-W168 HydrophobicContact CB-CG 4.31Å; P131-W168 HydrophobicContact CB-CZ2 4.06Å; P131-W168 HydrophobicContact CG-CZ2 4.05Å; I132-W168 HydrophobicContact CB-CE3 4.27Å; I132-W168 HydrophobicContact CB-CZ3 4.27Å; I132-W168 HydrophobicContact CG1-CZ3 4.17Å; I132-W168 WeakPolarHBondContact O-CA 3.41Å; P166-W168 WeakPolarHBondContact CB-O 3.27Å; W168-T193 WeakPolarHBondContact O-CB 3.4Å; W168-T193 WeakPolarHBondContact O-CG2 3.49Å
169	S	81.4	Confident	72.3	Confident	1 Å²	1	71.7 Å²	71.7	1%	0.007	41%	0.406	C	S	.	.	B	Isolated β-bridge	trans	-152.7	128	166.8	65.5	0	0	0	0	113.1	I132 R133 R134	I132-S169 PolarHBondContact O-N 3.08Å; R133-S169 WeakPolarHBondContact CA-OG 3.46Å; R133-S169 WeakPolarHBondContact CG-OG 3.41Å; R134-S169 WeakPolarHBondContact CB-O 3.48Å; R134-S169 PolarHBondContact N-O 3.37Å; R134-S169 PolarHBondContact N-OG 3.48Å; R134-S169 PolarHBondContact O-OG 3.05Å
170	T	82.8	Confident	70.9	Confident	69 Å²	69	71.6 Å²	71.6	42%	0.423	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	127.1	177.2	-61.2	0	0	0	0	110.7	T193 I194 I195	T170-T193 PolarHBondContact N-O 3.45Å; T170-I194 WeakPolarHBondContact O-CA 2.81Å; T170-I195 PolarHBondContact O-N 2.88Å
171	P	80.7	Confident	69.7	Low	27 Å²	27	72.4 Å²	72.4	18%	0.175	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	137.9	177	25.6	-33.8	0	0	0	111.7	R137	R137-P171 HydrophobicContact CG-CB 4.03Å
172	V	73.9	Confident	68	Low	48 Å²	48	69.5 Å²	69.5	29%	0.291	40%	0.4	S	S	.	.			trans	-77.7	143.2	174.1	-173.7	0	0	0	0	110.8	I194 T196	V172-I194 HydrophobicContact CG2-CB 3.62Å; V172-I194 HydrophobicContact CG2-CD1 4.07Å; V172-I194 HydrophobicContact CG2-CG1 4.4Å; V172-I194 HydrophobicContact CG2-CG2 3.8Å; V172-T196 HydrophobicContact CG2-CG2 4.31Å
173	V	69.3	Low	66.6	Low	79 Å²	79	66.8 Å²	66.8	48%	0.479	38%	0.382	S	S	.	.			trans	-111.1	117.5	160.7	-179.5	0	0	0	0	106.5	V175	V173-V175 HydrophobicContact CG1-CG2 4.24Å; V173-V175 PolarHBondContact O-N 3.03Å
174	P	58	Low	65.4	Low	69 Å²	69	65.4 Å²	65.4	45%	0.448	38%	0.376	S	S	.	.			trans	-61.8	119.9	177.2	-21.9	33	0	0	0	110.6	I143 I147	I143-P174 HydrophobicContact CD1-CG 4.27Å; I147-P174 HydrophobicContact CD1-CB 4.12Å; I147-P174 HydrophobicContact CD1-CG 3.52Å; I147-P174 HydrophobicContact CG1-CB 4.35Å; I147-P174 HydrophobicContact CG1-CG 4.18Å
175	V	52.3	Low	65.1	Low	93 Å²	93	62.8 Å²	62.8	56%	0.564	35%	0.349	S	S	*	.			trans	-136.9	117.4	174.9	-177.1	0	0	0	0	107.5	V173 K177	V173-V175 HydrophobicContact CG1-CG2 4.24Å; V173-V175 PolarHBondContact O-N 3.03Å; V175-K177 HydrophobicContact CG1-CD 4.08Å; V175-K177 HydrophobicContact CG1-CG 4.11Å; V175-K177 PolarHBondContact O-N 3.18Å; V175-K177 VanDerWaalsContact O-N 3.16Å
176	I	52.2	Low	64.8	Low	160 Å²	160	61.1 Å²	61.1	82%	0.821	34%	0.34	S	S	*	.			trans	-72.6	108.1	-178.4	-55.5	173.3	0	0	0	108.6
177	K	42	Very low	64.5	Low	163 Å²	163	63.9 Å²	63.9	71%	0.709	36%	0.364	S	S	*	.			trans	-147.5	142.1	178	-79.7	179.3	178.3	-178.3	0	111	V175	V175-K177 HydrophobicContact CG1-CD 4.08Å; V175-K177 HydrophobicContact CG1-CG 4.11Å; V175-K177 PolarHBondContact O-N 3.18Å; V175-K177 VanDerWaalsContact O-N 3.16Å
178	P	44.2	Very low	64.2	Low	117 Å²	117	58.1 Å²	58.1	76%	0.76	34%	0.339	S	S	*	.			trans	-80.1	114.6	165.6	31.2	-29.9	0	0	0	109.8
179	S	47.9	Very low	63.9	Low	61 Å²	61	56 Å²	56	43%	0.427	33%	0.331	S	S	.	.			trans	-109.6	163.2	177.2	67.2	0	0	0	0	112.6	L113 D181	L113-S179 VanDerWaalsContact CD2-O 3.3Å; L113-S179 WeakPolarHBondContact CD2-O 3.38Å; S179-D181 WeakPolarHBondContact CB-OD2 3.49Å; S179-D181 PolarHBondContact OG-OD2 2.79Å
180	G	49.9	Very low	63.8	Low	15 Å²	15	57.8 Å²	57.8	16%	0.155	34%	0.339	C	S	.	.			trans	-140.4	128.2	160.9	0	0	0	0	0	108.6	F208	G180-F208 WeakPolarHBondContact O-CE2 3.3Å
181	D	57	Low	63.6	Low	26 Å²	26	55.4 Å²	55.4	14%	0.139	33%	0.327	C	S	.	.			trans	-130.3	141.2	-161.9	-61	-82.1	0	0	0	110.1	Q37 C38 S179 R205 L206 R207 F208	Q37-D181 PolarHBondContact O-N 3.11Å; Q37-D181 VanDerWaalsContact O-O 3.09Å; C38-D181 PolarHBondContact SG-O 3.02Å; S179-D181 WeakPolarHBondContact CB-OD2 3.49Å; S179-D181 PolarHBondContact OG-OD2 2.79Å; D181-R205 HydrophobicContact CB-CB 3.91Å; D181-L206 WeakPolarHBondContact CB-O 3.12Å; D181-R207 WeakPolarHBondContact OD1-CA 3.42Å; D181-F208 WeakPolarHBondContact OD1-CD2 3.42Å; D181-F208 PolarHBondContact OD1-N 2.98Å
182	L	50.4	Low	63.5	Low	3 Å²	3	54.5 Å²	54.5	2%	0.016	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	159.3	-179.5	-80	167.8	0	0	0	112.1	C38 Y116 V121 R205 L206 F217	C38-L182 VanDerWaalsContact SG-CA 3.58Å; C38-L182 WeakPolarHBondContact SG-CD2 3.22Å; Y116-L182 HydrophobicContact CD1-CD2 3.95Å; Y116-L182 HydrophobicContact CE1-CD2 4.44Å; Y116-L182 HydrophobicContact CG-CD2 4.03Å; V121-L182 HydrophobicContact CG2-CD1 4.36Å; L182-R205 CarbonylContact O-C 3.51Å; L182-R205 VanDerWaalsContact O-C 3.31Å; L182-R205 WeakPolarHBondContact O-CA 3.45Å; L182-R205 VanDerWaalsContact O-CB 3.25Å; L182-R205 WeakPolarHBondContact O-CB 3.39Å; L182-L206 HydrophobicContact CB-CB 4Å; L182-L206 HydrophobicContact CB-CD2 4.19Å; L182-L206 HydrophobicContact CD1-CD2 4.08Å; L182-L206 PolarHBondContact O-N 3.43Å; L182-F217 HydrophobicContact CD1-CB 4.37Å; L182-F217 HydrophobicContact CD1-CD2 3.59Å; L182-F217 HydrophobicContact CD1-CE2 4.35Å; L182-F217 HydrophobicContact CD1-CG 4.41Å; L182-F217 HydrophobicContact CG-CD2 3.9Å; L182-F217 HydrophobicContact CG-CE2 4.23Å
183	P	57.5	Low	63.8	Low	30 Å²	30	52.2 Å²	52.2	20%	0.195	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	155	169.6	30.3	-34.6	0	0	0	112.9	Y116 V121	Y116-P183 HydrophobicContact CD1-CG 4.05Å; V121-P183 WeakPolarHBondContact CB-O 3.3Å
184	V	59.8	Low	64.4	Low	13 Å²	13	49.2 Å²	49.2	8%	0.079	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-132.2	158.4	175.3	-68.7	0	0	0	0	112.6	V121 A189 K204 L206	V121-V184 HydrophobicContact CB-CG1 4.32Å; V121-V184 WeakPolarHBondContact O-CA 3.39Å; V184-A189 HydrophobicContact CG2-CB 4.04Å; V184-K204 WeakPolarHBondContact CG2-O 3.45Å; V184-K204 PolarHBondContact N-O 3.07Å; V184-K204 VanDerWaalsContact N-O 3.13Å; V184-L206 HydrophobicContact CG1-CB 3.7Å; V184-L206 HydrophobicContact CG1-CD1 4.18Å
185	D	76.2	Confident	65.5	Low	33 Å²	33	47.5 Å²	47.5	18%	0.176	28%	0.275	C	S	.	.			trans	-70	164.1	170.8	66.1	46.5	0	0	0	113.7	V121 T122 A187 S188 A189	V121-D185 PolarHBondContact O-N 2.75Å; T122-D185 WeakPolarHBondContact CA-OD2 3.29Å; T122-D185 WeakPolarHBondContact CB-OD2 3.08Å; T122-D185 WeakPolarHBondContact CG2-OD2 3.03Å; T122-D185 PolarHBondContact OG1-OD2 3.25Å; D185-A187 VanDerWaalsContact C-N 3.35Å; D185-A187 PolarHBondContact O-N 2.81Å; D185-A187 PolarHBondContact OD1-N 3.29Å; D185-S188 CarbonylContact O-C 3.47Å; D185-S188 WeakPolarHBondContact O-CB 3.19Å; D185-S188 PolarHBondContact O-N 2.86Å; D185-S188 VanDerWaalsContact O-N 3.17Å; D185-S188 WeakPolarHBondContact OD1-CB 3.43Å; D185-S188 PolarHBondContact OD1-N 2.95Å; D185-S188 PolarHBondContact OD1-OG 2.86Å; D185-S188 PolarHBondContact OD2-OG 3.06Å; D185-A189 WeakPolarHBondContact O-CB 3.32Å; D185-A189 PolarHBondContact O-N 2.83Å
186	D	76.3	Confident	66.8	Low	102 Å²	102	43.9 Å²	43.9	55%	0.545	25%	0.253	S	S	.	.	H	α-helix	trans	-60.7	-36.9	-174.9	-85.8	-55.1	0	0	0	114.1	S188 A189 E190 K202	D186-S188 VanDerWaalsContact C-N 3.34Å; D186-A189 PolarHBondContact O-N 3.31Å; D186-E190 PolarHBondContact O-N 3.36Å; D186-K202 IonicContact OD1-NZ 2.7Å; D186-K202 PolarHBondContact OD1-NZ 2.9Å
187	A	77.5	Confident	68.1	Low	64 Å²	64	39 Å²	39	53%	0.529	23%	0.226	S	C	.	.	H	α-helix	trans	-67.1	-40.1	177.7	0	0	0	0	0	111	D185 E190 A191	D185-A187 VanDerWaalsContact C-N 3.35Å; D185-A187 PolarHBondContact O-N 2.81Å; D185-A187 PolarHBondContact OD1-N 3.29Å; A187-E190 PolarHBondContact O-N 3Å; A187-A191 WeakPolarHBondContact O-CB 3.29Å; A187-A191 PolarHBondContact O-N 3.49Å
188	S	75.2	Confident	70	Confident	2 Å²	2	35.8 Å²	35.8	1%	0.014	22%	0.216	C	C	.	.	H	α-helix	trans	-71.2	-30.2	174.6	-57.4	0	0	0	0	112.4	L123 D185 D186 Q192	L123-S188 PolarHBondContact N-OG 2.89Å; D185-S188 CarbonylContact O-C 3.47Å; D185-S188 WeakPolarHBondContact O-CB 3.19Å; D185-S188 PolarHBondContact O-N 2.86Å; D185-S188 VanDerWaalsContact O-N 3.17Å; D185-S188 WeakPolarHBondContact OD1-CB 3.43Å; D185-S188 PolarHBondContact OD1-N 2.95Å; D185-S188 PolarHBondContact OD1-OG 2.86Å; D185-S188 PolarHBondContact OD2-OG 3.06Å; D186-S188 VanDerWaalsContact C-N 3.34Å; S188-Q192 WeakPolarHBondContact O-CG 3.03Å; S188-Q192 PolarHBondContact O-N 2.89Å; S188-Q192 PolarHBondContact O-NE2 3.2Å; S188-Q192 VanDerWaalsContact O-NE2 3.16Å
189	A	77.5	Confident	71.7	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.008	20%	0.196	C	C	.	.	H	α-helix	trans	-70.8	-42.1	172.7	0	0	0	0	0	111.5	V184 D185 D186 Q192 T193 K202 V203	V184-A189 HydrophobicContact CG2-CB 4.04Å; D185-A189 WeakPolarHBondContact O-CB 3.32Å; D185-A189 PolarHBondContact O-N 2.83Å; D186-A189 PolarHBondContact O-N 3.31Å; A189-Q192 PolarHBondContact O-N 2.66Å; A189-T193 PolarHBondContact O-N 2.69Å; A189-K202 HydrophobicContact CB-CD 4.45Å; A189-K202 HydrophobicContact CB-CG 4.48Å; A189-V203 WeakPolarHBondContact CA-O 3.31Å; A189-V203 VanDerWaalsContact CB-O 3.3Å; A189-V203 WeakPolarHBondContact CB-O 3.48Å
190	E	79.3	Confident	73.4	Confident	38 Å²	38	29.7 Å²	29.7	18%	0.178	18%	0.179	C	C	.	.	H	α-helix	trans	-61.6	-45.2	172.9	-165	-173.6	176.2	0	0	110.3	I163 K167 D186 A187 Q192 T193	I163-E190 HydrophobicContact CD1-CG 4.32Å; K167-E190 VanDerWaalsContact CB-OE1 3.3Å; K167-E190 WeakPolarHBondContact CB-OE1 3.49Å; K167-E190 VanDerWaalsContact CD-OE1 3.27Å; K167-E190 WeakPolarHBondContact CD-OE1 3.37Å; K167-E190 WeakPolarHBondContact CG-OE1 3.25Å; K167-E190 PolarHBondContact N-OE1 3.42Å; K167-E190 IonicContact NZ-OE1 2.94Å; K167-E190 PolarHBondContact NZ-OE1 3.17Å; K167-E190 IonicContact NZ-OE2 2.69Å; K167-E190 PolarHBondContact NZ-OE2 2.83Å; D186-E190 PolarHBondContact O-N 3.36Å; A187-E190 PolarHBondContact O-N 3Å; E190-Q192 PolarHBondContact O-N 3.35Å; E190-T193 VanDerWaalsContact O-CB 3.24Å; E190-T193 WeakPolarHBondContact O-CB 3.32Å; E190-T193 PolarHBondContact O-N 2.82Å; E190-T193 VanDerWaalsContact O-N 3.13Å; E190-T193 PolarHBondContact O-OG1 3.21Å
191	A	77.8	Confident	75	Confident	20 Å²	20	29.5 Å²	29.5	17%	0.165	17%	0.174	C	C	.	.	H	α-helix	trans	-62	-27.6	177.5	0	0	0	0	0	114	L125 A187	L125-A191 HydrophobicContact CD1-CB 4.17Å; L125-A191 HydrophobicContact CD2-CB 4.39Å; A187-A191 WeakPolarHBondContact O-CB 3.29Å; A187-A191 PolarHBondContact O-N 3.49Å
192	Q	80	Confident	76.2	Confident	8 Å²	8	29.4 Å²	29.4	4%	0.037	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-2	177.9	-74.5	179.7	102	0	0	114.7	L123 S188 A189 E190 I194 V203 R205 R207 V210	L123-Q192 HydrophobicContact CD1-CG 3.96Å; S188-Q192 WeakPolarHBondContact O-CG 3.03Å; S188-Q192 PolarHBondContact O-N 2.89Å; S188-Q192 PolarHBondContact O-NE2 3.2Å; S188-Q192 VanDerWaalsContact O-NE2 3.16Å; A189-Q192 PolarHBondContact O-N 2.66Å; E190-Q192 PolarHBondContact O-N 3.35Å; Q192-I194 PolarHBondContact O-N 3.23Å; Q192-V203 HydrophobicContact CB-CB 4.18Å; Q192-V203 HydrophobicContact CB-CG2 4.38Å; Q192-R205 PolarHBondContact OE1-O 2.9Å; Q192-R207 PolarHBondContact O-NH1 2.66Å; Q192-R207 VanDerWaalsContact OE1-N 3.11Å; Q192-V210 HydrophobicContact CG-CG2 4.22Å
193	T	80.2	Confident	77.5	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.175	C	C	.	.			trans	-44.6	124	-173.4	-65.6	0	0	0	0	113.2	I163 P166 W168 T170 A189 E190 A200 F201	I163-T193 HydrophobicContact CG2-CG2 3.87Å; P166-T193 HydrophobicContact CB-CG2 3.84Å; P166-T193 HydrophobicContact CG-CG2 4.48Å; W168-T193 WeakPolarHBondContact O-CB 3.4Å; W168-T193 WeakPolarHBondContact O-CG2 3.49Å; T170-T193 PolarHBondContact N-O 3.45Å; A189-T193 PolarHBondContact O-N 2.69Å; E190-T193 VanDerWaalsContact O-CB 3.24Å; E190-T193 WeakPolarHBondContact O-CB 3.32Å; E190-T193 PolarHBondContact O-N 2.82Å; E190-T193 VanDerWaalsContact O-N 3.13Å; E190-T193 PolarHBondContact O-OG1 3.21Å; T193-A200 HydrophobicContact CG2-CB 4.2Å; T193-F201 WeakPolarHBondContact CA-O 3.49Å
194	I	81.7	Confident	78.3	Confident	16 Å²	16	31.4 Å²	31.4	8%	0.082	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	146.6	172.9	54.1	170.3	0	0	0	110.8	L160 T170 V172 Q192 A200 F201 V203	L160-I194 HydrophobicContact CD1-CD1 4.08Å; L160-I194 HydrophobicContact CD2-CD1 3.71Å; L160-I194 HydrophobicContact CD2-CG1 4.26Å; T170-I194 WeakPolarHBondContact O-CA 2.81Å; V172-I194 HydrophobicContact CG2-CB 3.62Å; V172-I194 HydrophobicContact CG2-CD1 4.07Å; V172-I194 HydrophobicContact CG2-CG1 4.4Å; V172-I194 HydrophobicContact CG2-CG2 3.8Å; Q192-I194 PolarHBondContact O-N 3.23Å; I194-A200 CarbonylContact O-C 3.42Å; I194-A200 VanDerWaalsContact O-CA 3.3Å; I194-A200 WeakPolarHBondContact O-CA 3.17Å; I194-F201 HydrophobicContact CD1-CB 4.44Å; I194-F201 HydrophobicContact CG1-CB 4.01Å; I194-F201 WeakPolarHBondContact CG1-O 3.27Å; I194-F201 PolarHBondContact N-O 3.05Å; I194-F201 PolarHBondContact O-N 3.49Å; I194-V203 HydrophobicContact CG1-CG2 4.09Å; I194-V203 HydrophobicContact CG2-CG2 4.12Å
195	I	80.9	Confident	78.7	Confident	33 Å²	33	31.1 Å²	31.1	17%	0.169	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	129.6	168	-164.9	174.9	0	0	0	110.3	A136 T170 A200	A136-I195 HydrophobicContact CB-CG1 4.21Å; A136-I195 HydrophobicContact CB-CG2 4.18Å; T170-I195 PolarHBondContact O-N 2.88Å; I195-A200 HydrophobicContact CG1-CB 4.37Å
196	T	79.7	Confident	78.3	Confident	17 Å²	17	30 Å²	30	10%	0.104	17%	0.171	C	C	.	.			trans	-112.1	-177.3	179.6	69.2	0	0	0	0	109.6	A136 I151 V172 L198 A199 F201	A136-T196 VanDerWaalsContact CB-O 3.3Å; A136-T196 WeakPolarHBondContact CB-O 3.39Å; I151-T196 HydrophobicContact CD1-CG2 3.85Å; V172-T196 HydrophobicContact CG2-CG2 4.31Å; T196-L198 PolarHBondContact OG1-N 3.38Å; T196-A199 PolarHBondContact N-O 3.13Å; T196-A199 PolarHBondContact OG1-N 2.72Å; T196-A199 VanDerWaalsContact OG1-N 3.13Å; T196-A199 PolarHBondContact OG1-O 3.12Å; T196-F201 HydrophobicContact CG2-CD2 4.06Å; T196-F201 HydrophobicContact CG2-CE2 4.09Å
197	H	79.1	Confident	77.8	Confident	56 Å²	56	28.3 Å²	28.3	26%	0.259	16%	0.156	S	C	.	.	S	Bend	trans	-77.1	-10.3	172	63.4	-87	0	0	0	113.3	E148	E148-H197 IonicContact OE1-NE2 3.16Å
198	L	81.4	Confident	77.1	Confident	96 Å²	96	32.2 Å²	32.2	50%	0.503	16%	0.162	S	C	.	.	S	Bend	trans	-92	-58.6	175.2	-63.3	179.3	0	0	0	111.4	E148 I151 T196	E148-L198 HydrophobicContact CG-CD1 4.16Å; I151-L198 HydrophobicContact CD1-CD1 4.21Å; T196-L198 PolarHBondContact OG1-N 3.38Å
199	A	81	Confident	76.6	Confident	40 Å²	40	36 Å²	36	33%	0.331	20%	0.201	S	C	.	.			trans	-158.1	176.5	-173.5	0	0	0	0	0	111.7	T196 F201	T196-A199 PolarHBondContact N-O 3.13Å; T196-A199 PolarHBondContact OG1-N 2.72Å; T196-A199 VanDerWaalsContact OG1-N 3.13Å; T196-A199 PolarHBondContact OG1-O 3.12Å; A199-F201 HydrophobicContact CB-CE1 4.41Å; A199-F201 HydrophobicContact CB-CE2 4.01Å; A199-F201 HydrophobicContact CB-CZ 3.87Å
200	A	82.8	Confident	76.2	Confident	10 Å²	10	37.4 Å²	37.4	8%	0.083	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	141.8	162.7	0	0	0	0	0	110.5	I163 P166 T193 I194 I195	I163-A200 HydrophobicContact CG2-CB 3.84Å; I163-A200 PolarHBondContact N-O 3.38Å; P166-A200 HydrophobicContact CG-CB 3.81Å; T193-A200 HydrophobicContact CG2-CB 4.2Å; I194-A200 CarbonylContact O-C 3.42Å; I194-A200 VanDerWaalsContact O-CA 3.3Å; I194-A200 WeakPolarHBondContact O-CA 3.17Å; I195-A200 HydrophobicContact CG1-CB 4.37Å
201	F	83.9	Confident	75.6	Confident	11 Å²	11	39.9 Å²	39.9	5%	0.048	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	128	179.1	-57.1	-84.8	0	0	0	110	I151 L155 L160 E161 P162 T193 I194 T196 A199	I151-F201 HydrophobicContact CG2-CE1 4.36Å; I151-F201 HydrophobicContact CG2-CE2 3.99Å; I151-F201 HydrophobicContact CG2-CZ 3.76Å; L155-F201 HydrophobicContact CD1-CE1 4.1Å; L155-F201 HydrophobicContact CD2-CD1 4.05Å; L155-F201 HydrophobicContact CD2-CE1 4Å; L155-F201 HydrophobicContact CG-CE1 4.47Å; L160-F201 HydrophobicContact CB-CB 4.18Å; L160-F201 HydrophobicContact CB-CD1 4.48Å; L160-F201 HydrophobicContact CD1-CB 4.41Å; L160-F201 HydrophobicContact CD1-CG 4.43Å; L160-F201 HydrophobicContact CD2-CB 4.15Å; L160-F201 HydrophobicContact CG-CB 4.48Å; E161-F201 CarbonylContact O-C 3.52Å; E161-F201 WeakPolarHBondContact O-CA 3.31Å; P162-F201 HydrophobicContact CB-CD1 4.11Å; P162-F201 HydrophobicContact CB-CE1 4.14Å; T193-F201 WeakPolarHBondContact CA-O 3.49Å; I194-F201 HydrophobicContact CD1-CB 4.44Å; I194-F201 HydrophobicContact CG1-CB 4.01Å; I194-F201 WeakPolarHBondContact CG1-O 3.27Å; I194-F201 PolarHBondContact N-O 3.05Å; I194-F201 PolarHBondContact O-N 3.49Å; T196-F201 HydrophobicContact CG2-CD2 4.06Å; T196-F201 HydrophobicContact CG2-CE2 4.09Å; A199-F201 HydrophobicContact CB-CE1 4.41Å; A199-F201 HydrophobicContact CB-CE2 4.01Å; A199-F201 HydrophobicContact CB-CZ 3.87Å
202	K	82.4	Confident	75.2	Confident	24 Å²	24	42 Å²	42	10%	0.104	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	143.1	166.2	83.4	-178.4	-156.4	-166.3	0	108	L160 E161 D186 A189	L160-K202 WeakPolarHBondContact CA-O 3.45Å; E161-K202 HydrophobicContact CB-CD 4.32Å; E161-K202 HydrophobicContact CB-CG 3.9Å; E161-K202 HydrophobicContact CG-CD 4.39Å; E161-K202 HydrophobicContact CG-CG 4.42Å; E161-K202 PolarHBondContact N-O 3.36Å; E161-K202 VanDerWaalsContact N-O 3.1Å; E161-K202 PolarHBondContact O-N 3.4Å; E161-K202 WeakPolarHBondContact OE1-CD 3.03Å; E161-K202 WeakPolarHBondContact OE1-CE 3.49Å; E161-K202 IonicContact OE1-NZ 2.72Å; E161-K202 PolarHBondContact OE1-NZ 3.47Å; E161-K202 WeakPolarHBondContact OE2-CE 3.36Å; E161-K202 IonicContact OE2-NZ 2.76Å; E161-K202 PolarHBondContact OE2-NZ 2.86Å; E161-K202 VanDerWaalsContact OE2-NZ 3.1Å; D186-K202 IonicContact OD1-NZ 2.7Å; D186-K202 PolarHBondContact OD1-NZ 2.9Å; A189-K202 HydrophobicContact CB-CD 4.45Å; A189-K202 HydrophobicContact CB-CG 4.48Å
203	V	78.3	Confident	74.7	Confident	10 Å²	10	42.1 Å²	42.1	6%	0.061	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	111.6	-179.8	-166.2	0	0	0	0	107.6	V159 L160 A189 Q192 I194 R205	V159-V203 HydrophobicContact CG1-CG1 4.49Å; L160-V203 HydrophobicContact CD2-CB 4.37Å; L160-V203 HydrophobicContact CD2-CG1 4.21Å; L160-V203 HydrophobicContact CD2-CG2 3.95Å; A189-V203 WeakPolarHBondContact CA-O 3.31Å; A189-V203 VanDerWaalsContact CB-O 3.3Å; A189-V203 WeakPolarHBondContact CB-O 3.48Å; Q192-V203 HydrophobicContact CB-CB 4.18Å; Q192-V203 HydrophobicContact CB-CG2 4.38Å; I194-V203 HydrophobicContact CG1-CG2 4.09Å; I194-V203 HydrophobicContact CG2-CG2 4.12Å; V203-R205 VanDerWaalsContact CG1-O 3.24Å; V203-R205 WeakPolarHBondContact CG1-O 3.42Å; V203-R205 PolarHBondContact O-N 2.86Å; V203-R205 VanDerWaalsContact O-N 3.16Å
204	K	72.9	Confident	74.1	Confident	65 Å²	65	45.2 Å²	45.2	28%	0.283	27%	0.265	S	S	.	.	S	Bend	trans	-70.2	-5.6	179.9	-70.1	-176.2	170.7	176.5	0	113.2	E158 V159 E161 V184	E158-K204 WeakPolarHBondContact O-CD 3.22Å; V159-K204 PolarHBondContact O-N 2.7Å; E161-K204 WeakPolarHBondContact OE2-CE 3.42Å; E161-K204 IonicContact OE2-NZ 3.39Å; E161-K204 PolarHBondContact OE2-NZ 3.41Å; V184-K204 WeakPolarHBondContact CG2-O 3.45Å; V184-K204 PolarHBondContact N-O 3.07Å; V184-K204 VanDerWaalsContact N-O 3.13Å
205	R	68	Low	73.5	Confident	8 Å²	8	46.7 Å²	46.7	3%	0.03	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	145.6	-174.8	-56.2	-176.3	-168.3	159.2	6.1	112.4	I35 S36 E157 D181 L182 Q192 V203 R207	I35-R205 VanDerWaalsContact C-NH2 3.31Å; I35-R205 PolarHBondContact O-NH2 2.72Å; S36-R205 PolarHBondContact O-NE 2.81Å; S36-R205 PolarHBondContact O-NH1 2.79Å; S36-R205 PolarHBondContact O-NH2 2.86Å; E157-R205 PolarHBondContact O-NH2 2.81Å; D181-R205 HydrophobicContact CB-CB 3.91Å; L182-R205 CarbonylContact O-C 3.51Å; L182-R205 VanDerWaalsContact O-C 3.31Å; L182-R205 WeakPolarHBondContact O-CA 3.45Å; L182-R205 VanDerWaalsContact O-CB 3.25Å; L182-R205 WeakPolarHBondContact O-CB 3.39Å; Q192-R205 PolarHBondContact OE1-O 2.9Å; V203-R205 VanDerWaalsContact CG1-O 3.24Å; V203-R205 WeakPolarHBondContact CG1-O 3.42Å; V203-R205 PolarHBondContact O-N 2.86Å; V203-R205 VanDerWaalsContact O-N 3.16Å; R205-R207 PolarHBondContact O-N 2.92Å; R205-R207 VanDerWaalsContact O-N 3.08Å
206	L	68	Low	73.2	Confident	9 Å²	9	46.7 Å²	46.7	5%	0.047	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	94.2	177.5	-177.4	67.3	0	0	0	110	V121 L123 D181 L182 V184 V210 A213 I216	V121-L206 HydrophobicContact CG1-CD2 4.39Å; L123-L206 HydrophobicContact CD2-CD1 3.79Å; D181-L206 WeakPolarHBondContact CB-O 3.12Å; L182-L206 HydrophobicContact CB-CB 4Å; L182-L206 HydrophobicContact CB-CD2 4.19Å; L182-L206 HydrophobicContact CD1-CD2 4.08Å; L182-L206 PolarHBondContact O-N 3.43Å; V184-L206 HydrophobicContact CG1-CB 3.7Å; V184-L206 HydrophobicContact CG1-CD1 4.18Å; L206-V210 HydrophobicContact CD1-CG1 4.2Å; L206-A213 HydrophobicContact CD1-CB 3.89Å; L206-A213 HydrophobicContact CD2-CB 3.81Å; L206-A213 HydrophobicContact CG-CB 3.7Å; L206-I216 HydrophobicContact CD2-CB 4.49Å; L206-I216 HydrophobicContact CD2-CG2 4.4Å
207	R	66.8	Low	73.1	Confident	66 Å²	66	47.4 Å²	47.4	25%	0.249	29%	0.285	C	S	.	.			trans	-69	146.7	-175	68.8	-163	-68.3	-172.5	1.9	113.5	D181 Q192 R205 G209 V210	D181-R207 WeakPolarHBondContact OD1-CA 3.42Å; Q192-R207 PolarHBondContact O-NH1 2.66Å; Q192-R207 VanDerWaalsContact OE1-N 3.11Å; R205-R207 PolarHBondContact O-N 2.92Å; R205-R207 VanDerWaalsContact O-N 3.08Å; R207-G209 PolarHBondContact O-N 2.97Å; R207-V210 HydrophobicContact CG-CG2 3.63Å; R207-V210 PolarHBondContact O-N 3.46Å
208	F	62.1	Low	73.2	Confident	146 Å²	146	45.5 Å²	45.5	64%	0.64	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	138	157.1	-71.2	-87.6	0	0	0	111.9	G180 D181	G180-F208 WeakPolarHBondContact O-CE2 3.3Å; D181-F208 WeakPolarHBondContact OD1-CD2 3.42Å; D181-F208 PolarHBondContact OD1-N 2.98Å
209	G	64.6	Low	73.2	Confident	82 Å²	82	46.8 Å²	46.8	85%	0.845	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.6	-16.8	-178.3	0	0	0	0	0	114.4	R207 S211	R207-G209 PolarHBondContact O-N 2.97Å; G209-S211 PolarHBondContact O-N 3.09Å
210	V	68.6	Low	73.4	Confident	31 Å²	31	46 Å²	46	19%	0.188	27%	0.271	C	S	.	.			trans	-66.6	126.1	165.3	167	0	0	0	0	108.9	L123 Q192 L206 R207 V212 A213	L123-V210 HydrophobicContact CD2-CG1 4.14Å; Q192-V210 HydrophobicContact CG-CG2 4.22Å; L206-V210 HydrophobicContact CD1-CG1 4.2Å; R207-V210 HydrophobicContact CG-CG2 3.63Å; R207-V210 PolarHBondContact O-N 3.46Å; V210-V212 HydrophobicContact CG1-CG2 3.63Å; V210-V212 PolarHBondContact O-N 3.34Å; V210-A213 HydrophobicContact CB-CB 4.02Å; V210-A213 HydrophobicContact CG1-CB 4.18Å; V210-A213 WeakPolarHBondContact O-CB 3.49Å; V210-A213 PolarHBondContact O-N 2.82Å; V210-A213 VanDerWaalsContact O-N 3.12Å
211	S	68	Low	73.5	Confident	90 Å²	90	45.6 Å²	45.6	63%	0.629	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-20.3	-166.8	60.1	0	0	0	0	114.7	G209	G209-S211 PolarHBondContact O-N 3.09Å
212	V	70.1	Confident	73.5	Confident	63 Å²	63	47.9 Å²	47.9	38%	0.382	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-15.8	176.7	-64.6	0	0	0	0	113.4	L123 V210 G215 I216	L123-V212 HydrophobicContact CD2-CG2 3.63Å; V210-V212 HydrophobicContact CG1-CG2 3.63Å; V210-V212 PolarHBondContact O-N 3.34Å; V212-G215 PolarHBondContact O-N 2.56Å; V212-I216 HydrophobicContact CB-CD1 4.19Å; V212-I216 HydrophobicContact CG2-CD1 3.82Å; V212-I216 PolarHBondContact O-N 3.1Å; V212-I216 VanDerWaalsContact O-N 3.13Å
213	A	68.4	Low	73.7	Confident	11 Å²	11	50.3 Å²	50.3	9%	0.091	30%	0.295	C	S	.	.	H	α-helix	trans	-57.3	-42.7	-171.7	0	0	0	0	0	114.5	L206 V210 G215 I216 F217	L206-A213 HydrophobicContact CD1-CB 3.89Å; L206-A213 HydrophobicContact CD2-CB 3.81Å; L206-A213 HydrophobicContact CG-CB 3.7Å; V210-A213 HydrophobicContact CB-CB 4.02Å; V210-A213 HydrophobicContact CG1-CB 4.18Å; V210-A213 WeakPolarHBondContact O-CB 3.49Å; V210-A213 PolarHBondContact O-N 2.82Å; V210-A213 VanDerWaalsContact O-N 3.12Å; A213-G215 VanDerWaalsContact C-N 3.3Å; A213-G215 PolarHBondContact O-N 3.05Å; A213-I216 PolarHBondContact O-N 3.32Å; A213-F217 WeakPolarHBondContact O-CB 3.48Å; A213-F217 PolarHBondContact O-N 2.87Å
214	P	67.3	Low	74.1	Confident	66 Å²	66	51.6 Å²	51.6	43%	0.429	30%	0.301	S	S	.	.	H	α-helix	trans	-63.5	-34.7	177.4	-21.9	34	0	0	0	113	Q218 F235	P214-Q218 WeakPolarHBondContact O-CB 3.25Å; P214-Q218 PolarHBondContact O-N 2.87Å; P214-F235 HydrophobicContact CB-CD1 3.86Å; P214-F235 HydrophobicContact CB-CE1 3.43Å; P214-F235 VanDerWaalsContact CB-CE1 3.43Å; P214-F235 HydrophobicContact CB-CZ 4.17Å; P214-F235 WeakPolarHBondContact O-CD1 3.03Å; P214-F235 VanDerWaalsContact O-CE1 3.32Å; P214-F235 WeakPolarHBondContact O-CE1 3.36Å
215	G	70.1	Confident	74.9	Confident	47 Å²	47	48.7 Å²	48.7	49%	0.485	29%	0.288	S	S	.	.	H	α-helix	trans	-70.4	-38.8	178.1	0	0	0	0	0	112.4	V212 A213 Q219	V212-G215 PolarHBondContact O-N 2.56Å; A213-G215 VanDerWaalsContact C-N 3.3Å; A213-G215 PolarHBondContact O-N 3.05Å; G215-Q219 PolarHBondContact O-N 2.98Å
216	I	74.4	Confident	75.7	Confident	33 Å²	33	56.5 Å²	56.5	17%	0.169	32%	0.318	C	S	.	.	H	α-helix	trans	-66.2	-45.7	174.4	-61.5	165.6	0	0	0	110.3	V121 L123 L206 V212 A213 Q218 Q219 V220	V121-I216 HydrophobicContact CB-CG2 4.43Å; V121-I216 HydrophobicContact CG1-CD1 3.86Å; V121-I216 HydrophobicContact CG1-CG2 3.64Å; V121-I216 HydrophobicContact CG2-CG2 3.86Å; L123-I216 HydrophobicContact CD2-CD1 3.96Å; L206-I216 HydrophobicContact CD2-CB 4.49Å; L206-I216 HydrophobicContact CD2-CG2 4.4Å; V212-I216 HydrophobicContact CB-CD1 4.19Å; V212-I216 HydrophobicContact CG2-CD1 3.82Å; V212-I216 PolarHBondContact O-N 3.1Å; V212-I216 VanDerWaalsContact O-N 3.13Å; A213-I216 PolarHBondContact O-N 3.32Å; I216-Q218 PolarHBondContact O-N 3.47Å; I216-Q219 PolarHBondContact O-N 2.86Å; I216-V220 HydrophobicContact CG2-CG2 4.48Å; I216-V220 WeakPolarHBondContact O-CG2 3.3Å; I216-V220 PolarHBondContact O-N 3.45Å
217	F	77	Confident	76.5	Confident	31 Å²	31	60.6 Å²	60.6	14%	0.136	35%	0.347	C	S	.	.	H	α-helix	trans	-61.7	-44.5	178.3	-166.4	-86.5	0	0	0	112.2	L40 L182 A213 Q219 V220 M221 F235	L40-F217 HydrophobicContact CD2-CE1 4.29Å; L40-F217 HydrophobicContact CD2-CZ 4.24Å; L182-F217 HydrophobicContact CD1-CB 4.37Å; L182-F217 HydrophobicContact CD1-CD2 3.59Å; L182-F217 HydrophobicContact CD1-CE2 4.35Å; L182-F217 HydrophobicContact CD1-CG 4.41Å; L182-F217 HydrophobicContact CG-CD2 3.9Å; L182-F217 HydrophobicContact CG-CE2 4.23Å; A213-F217 WeakPolarHBondContact O-CB 3.48Å; A213-F217 PolarHBondContact O-N 2.87Å; F217-Q219 PolarHBondContact O-N 3.31Å; F217-V220 PolarHBondContact O-N 3.34Å; F217-M221 HydrophobicContact CD1-CG 3.85Å; F217-M221 HydrophobicContact CE1-CG 3.47Å; F217-M221 VanDerWaalsContact CE1-CG 3.47Å; F217-M221 HydrophobicContact CE1-SD 4.23Å; F217-M221 HydrophobicContact CZ-CG 4.03Å; F217-M221 HydrophobicContact CZ-SD 4.24Å; F217-M221 WeakPolarHBondContact O-CG 3.21Å; F217-M221 PolarHBondContact O-N 3.09Å; F217-F235 VanDerWaalsContact CE1-O 3.3Å; F217-F235 WeakPolarHBondContact CE1-O 3.42Å
218	Q	81.2	Confident	77.6	Confident	16 Å²	16	57.8 Å²	57.8	8%	0.075	34%	0.337	C	S	.	.	H	α-helix	trans	-57.8	-47.7	173.7	-179.9	74.5	53.3	0	0	111.1	P214 I216 V220 M221 D222 V233 F235	P214-Q218 WeakPolarHBondContact O-CB 3.25Å; P214-Q218 PolarHBondContact O-N 2.87Å; I216-Q218 PolarHBondContact O-N 3.47Å; Q218-V220 PolarHBondContact O-N 2.91Å; Q218-M221 PolarHBondContact O-N 2.97Å; Q218-D222 WeakPolarHBondContact CG-OD2 3.41Å; Q218-D222 VanDerWaalsContact NE2-CG 3.32Å; Q218-D222 PolarHBondContact NE2-OD1 3.13Å; Q218-D222 PolarHBondContact NE2-OD2 2.93Å; Q218-D222 WeakPolarHBondContact O-CB 3.37Å; Q218-D222 PolarHBondContact O-N 2.95Å; Q218-V233 PolarHBondContact NE2-O 3.22Å; Q218-V233 VanDerWaalsContact NE2-O 3.16Å; Q218-F235 HydrophobicContact CB-CD1 4.21Å; Q218-F235 HydrophobicContact CB-CE1 4.34Å
219	Q	82.5	Confident	78.5	Confident	123 Å²	123	54 Å²	54	58%	0.575	33%	0.327	S	S	*	.	H	α-helix	trans	-60.7	-45.3	179.6	-177.6	179.7	-17.9	0	0	111.9	G215 I216 F217 D222 D223	G215-Q219 PolarHBondContact O-N 2.98Å; I216-Q219 PolarHBondContact O-N 2.86Å; F217-Q219 PolarHBondContact O-N 3.31Å; Q219-D222 PolarHBondContact O-N 2.93Å; Q219-D223 WeakPolarHBondContact O-CB 3.45Å; Q219-D223 PolarHBondContact O-N 2.71Å
220	V	84.1	Confident	79.2	Confident	24 Å²	24	51 Å²	51	15%	0.145	30%	0.296	C	S	.	.	H	α-helix	trans	-59.8	-48.6	176.8	170.4	0	0	0	0	110.7	Y116 I216 F217 Q218 D222 D223 L224	Y116-V220 HydrophobicContact CE2-CG1 4.21Å; I216-V220 HydrophobicContact CG2-CG2 4.48Å; I216-V220 WeakPolarHBondContact O-CG2 3.3Å; I216-V220 PolarHBondContact O-N 3.45Å; F217-V220 PolarHBondContact O-N 3.34Å; Q218-V220 PolarHBondContact O-N 2.91Å; V220-D222 PolarHBondContact O-N 3.36Å; V220-D223 PolarHBondContact O-N 2.86Å; V220-L224 HydrophobicContact CG1-CD1 3.82Å; V220-L224 HydrophobicContact CG1-CG 4.36Å; V220-L224 WeakPolarHBondContact O-CB 3.3Å; V220-L224 WeakPolarHBondContact O-CG 3.16Å; V220-L224 PolarHBondContact O-N 3.36Å
221	M	84.9	Confident	80.1	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-66.5	-36.9	179.8	-69.4	-59.1	-50.8	0	0	113	L40 F217 Q218 L224 L225 V233 V238 L264	L40-M221 HydrophobicContact CD1-CE 4.05Å; L40-M221 HydrophobicContact CD2-CE 3.84Å; L40-M221 HydrophobicContact CD2-SD 4.07Å; L40-M221 HydrophobicContact CG-CE 4.47Å; F217-M221 HydrophobicContact CD1-CG 3.85Å; F217-M221 HydrophobicContact CE1-CG 3.47Å; F217-M221 VanDerWaalsContact CE1-CG 3.47Å; F217-M221 HydrophobicContact CE1-SD 4.23Å; F217-M221 HydrophobicContact CZ-CG 4.03Å; F217-M221 HydrophobicContact CZ-SD 4.24Å; F217-M221 WeakPolarHBondContact O-CG 3.21Å; F217-M221 PolarHBondContact O-N 3.09Å; Q218-M221 PolarHBondContact O-N 2.97Å; M221-L224 PolarHBondContact O-N 2.67Å; M221-L224 HydrophobicContact SD-CD1 4.45Å; M221-L225 HydrophobicContact CE-CD1 3.7Å; M221-L225 HydrophobicContact CE-CG 4.39Å; M221-L225 PolarHBondContact O-N 3.24Å; M221-L225 VanDerWaalsContact O-N 3.12Å; M221-V233 HydrophobicContact CB-CG1 3.5Å; M221-V233 VanDerWaalsContact CB-CG1 3.5Å; M221-V233 HydrophobicContact CG-CG1 4.47Å; M221-V238 HydrophobicContact CE-CG2 4.24Å; M221-L264 HydrophobicContact CE-CD1 4.4Å; M221-L264 HydrophobicContact SD-CD1 3.64Å
222	D	84.7	Confident	80.9	Confident	60 Å²	60	49.6 Å²	49.6	32%	0.321	28%	0.284	S	S	.	.	H	α-helix	trans	-65	-43.1	173.7	-73.4	-20.4	0	0	0	111.3	Q218 Q219 V220 R226	Q218-D222 WeakPolarHBondContact CG-OD2 3.41Å; Q218-D222 VanDerWaalsContact NE2-CG 3.32Å; Q218-D222 PolarHBondContact NE2-OD1 3.13Å; Q218-D222 PolarHBondContact NE2-OD2 2.93Å; Q218-D222 WeakPolarHBondContact O-CB 3.37Å; Q218-D222 PolarHBondContact O-N 2.95Å; Q219-D222 PolarHBondContact O-N 2.93Å; V220-D222 PolarHBondContact O-N 3.36Å; D222-R226 VanDerWaalsContact O-CB 3.29Å; D222-R226 WeakPolarHBondContact O-CB 3.34Å; D222-R226 PolarHBondContact O-N 3Å
223	D	85.8	Confident	81.5	Confident	75 Å²	75	47.5 Å²	47.5	40%	0.401	27%	0.271	S	S	.	.	H	α-helix	trans	-63.8	-40.8	176.8	-79.3	-35.9	0	0	0	111.6	Q219 V220 R226	Q219-D223 WeakPolarHBondContact O-CB 3.45Å; Q219-D223 PolarHBondContact O-N 2.71Å; V220-D223 PolarHBondContact O-N 2.86Å; D223-R226 IonicContact OD1-CZ 3.61Å; D223-R226 IonicContact OD1-NH1 3.52Å; D223-R226 PolarHBondContact OD1-NH1 2.97Å; D223-R226 IonicContact OD1-NH2 3.23Å; D223-R226 PolarHBondContact OD1-NH2 3.31Å
224	L	87.6	Confident	82	Confident	37 Å²	37	50 Å²	50	19%	0.194	28%	0.279	C	S	.	.	H	α-helix	trans	-70.6	-35.2	-179	-72	174.6	0	0	0	114.2	Y116 V220 M221 V258 T262 L264	Y116-L224 HydrophobicContact CE2-CD1 4.04Å; V220-L224 HydrophobicContact CG1-CD1 3.82Å; V220-L224 HydrophobicContact CG1-CG 4.36Å; V220-L224 WeakPolarHBondContact O-CB 3.3Å; V220-L224 WeakPolarHBondContact O-CG 3.16Å; V220-L224 PolarHBondContact O-N 3.36Å; M221-L224 PolarHBondContact O-N 2.67Å; M221-L224 HydrophobicContact SD-CD1 4.45Å; L224-V258 HydrophobicContact CB-CG1 4.07Å; L224-T262 HydrophobicContact CD1-CG2 3.97Å; L224-T262 HydrophobicContact CD2-CG2 3.47Å; L224-T262 VanDerWaalsContact CD2-CG2 3.47Å; L224-T262 HydrophobicContact CG-CG2 4.31Å; L224-L264 HydrophobicContact CD1-CD1 3.82Å
225	L	88.4	Confident	82.3	Confident	3 Å²	3	48.5 Å²	48.5	2%	0.016	27%	0.265	C	S	.	.	H	α-helix	trans	-105	-2.7	-174	-61.1	176.6	0	0	0	113.7	M221 S227 I228 T231 V233 V238 V255 V258	M221-L225 HydrophobicContact CE-CD1 3.7Å; M221-L225 HydrophobicContact CE-CG 4.39Å; M221-L225 PolarHBondContact O-N 3.24Å; M221-L225 VanDerWaalsContact O-N 3.12Å; L225-S227 PolarHBondContact O-N 3.48Å; L225-I228 HydrophobicContact CD2-CD1 3.92Å; L225-I228 PolarHBondContact O-N 3.33Å; L225-T231 PolarHBondContact O-OG1 2.83Å; L225-V233 HydrophobicContact CB-CG2 4.15Å; L225-V233 HydrophobicContact CD1-CG2 3.61Å; L225-V233 HydrophobicContact CG-CG2 4.45Å; L225-V238 HydrophobicContact CD1-CG1 4.04Å; L225-V238 HydrophobicContact CD1-CG2 4.18Å; L225-V255 HydrophobicContact CD2-CG1 4.34Å; L225-V255 HydrophobicContact CD2-CG2 4.32Å; L225-V258 HydrophobicContact CD2-CB 4.15Å; L225-V258 HydrophobicContact CD2-CG1 3.91Å
226	R	85.8	Confident	82.4	Confident	173 Å²	173	49 Å²	49	65%	0.653	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-35.1	-179.3	-176.5	173.2	-65.6	128.4	8.4	114.9	D222 D223 I228	D222-R226 VanDerWaalsContact O-CB 3.29Å; D222-R226 WeakPolarHBondContact O-CB 3.34Å; D222-R226 PolarHBondContact O-N 3Å; D223-R226 IonicContact OD1-CZ 3.61Å; D223-R226 IonicContact OD1-NH1 3.52Å; D223-R226 PolarHBondContact OD1-NH1 2.97Å; D223-R226 IonicContact OD1-NH2 3.23Å; D223-R226 PolarHBondContact OD1-NH2 3.31Å; R226-I228 VanDerWaalsContact C-N 3.3Å
227	S	85.3	Confident	82.6	Confident	95 Å²	95	48.9 Å²	48.9	66%	0.664	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-13.7	-176.3	52.4	0	0	0	0	114	L225 P229	L225-S227 PolarHBondContact O-N 3.48Å; S227-P229 VanDerWaalsContact O-CD 3.3Å; S227-P229 WeakPolarHBondContact O-CD 3.39Å
228	I	88.5	Confident	83	Confident	6 Å²	6	47.5 Å²	47.5	3%	0.031	25%	0.251	C	S	.	.	S	Bend	trans	-99.9	105.2	-172.8	-50.4	175.2	0	0	0	109.1	L225 R226 T231 W251 Q254 V255 V258	L225-I228 HydrophobicContact CD2-CD1 3.92Å; L225-I228 PolarHBondContact O-N 3.33Å; R226-I228 VanDerWaalsContact C-N 3.3Å; I228-T231 HydrophobicContact CB-CG2 3.85Å; I228-T231 HydrophobicContact CG2-CG2 3.65Å; I228-T231 PolarHBondContact O-N 2.97Å; I228-T231 PolarHBondContact O-OG1 3.37Å; I228-W251 HydrophobicContact CG2-CB 4.03Å; I228-W251 HydrophobicContact CG2-CD2 4.35Å; I228-W251 HydrophobicContact CG2-CE3 3.93Å; I228-W251 HydrophobicContact CG2-CG 4.39Å; I228-Q254 HydrophobicContact CD1-CB 3.74Å; I228-Q254 HydrophobicContact CG1-CB 4.08Å; I228-Q254 HydrophobicContact CG2-CB 4.25Å; I228-V255 HydrophobicContact CD1-CB 4.43Å; I228-V255 HydrophobicContact CD1-CG2 3.77Å; I228-V255 HydrophobicContact CG2-CG2 4.3Å; I228-V258 HydrophobicContact CD1-CG2 4.13Å
229	P	81.8	Confident	83.3	Confident	67 Å²	67	47.2 Å²	47.2	44%	0.435	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	153.9	174.7	29	-35.6	0	0	0	110.5	S227 T231 W251	S227-P229 VanDerWaalsContact O-CD 3.3Å; S227-P229 WeakPolarHBondContact O-CD 3.39Å; P229-T231 PolarHBondContact O-N 3.46Å; P229-W251 HydrophobicContact CG-CD2 3.96Å; P229-W251 HydrophobicContact CG-CE3 3.87Å; P229-W251 HydrophobicContact CG-CH2 3.37Å; P229-W251 HydrophobicContact CG-CZ2 3.41Å; P229-W251 VanDerWaalsContact CG-CZ2 3.41Å; P229-W251 HydrophobicContact CG-CZ3 3.57Å
230	G	79.8	Confident	83.6	Confident	19 Å²	19	41.4 Å²	41.4	20%	0.196	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	-1.2	-176.3	0	0	0	0	0	115	V240 R241	G230-V240 WeakPolarHBondContact O-CA 3.45Å; G230-R241 WeakPolarHBondContact CA-O 3.27Å; G230-R241 WeakPolarHBondContact O-CG 3.43Å; G230-R241 PolarHBondContact O-N 2.95Å
231	T	86.3	Confident	83.6	Confident	27 Å²	27	47.4 Å²	47.4	17%	0.166	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	147.2	171.2	62.9	0	0	0	0	112.7	L225 I228 P229 L239 V240 V255	L225-T231 PolarHBondContact O-OG1 2.83Å; I228-T231 HydrophobicContact CB-CG2 3.85Å; I228-T231 HydrophobicContact CG2-CG2 3.65Å; I228-T231 PolarHBondContact O-N 2.97Å; I228-T231 PolarHBondContact O-OG1 3.37Å; P229-T231 PolarHBondContact O-N 3.46Å; T231-L239 CarbonylContact C-O 3.48Å; T231-L239 VanDerWaalsContact CA-O 3.31Å; T231-L239 WeakPolarHBondContact CA-O 3.09Å; T231-V240 HydrophobicContact CG2-CG1 4.5Å; T231-V240 HydrophobicContact CG2-CG2 4.43Å; T231-V255 HydrophobicContact CG2-CG2 3.48Å; T231-V255 VanDerWaalsContact CG2-CG2 3.48Å
232	T	84.1	Confident	83.3	Confident	64 Å²	64	48.1 Å²	48.1	39%	0.393	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	123.1	171.8	-62.4	0	0	0	0	108.6	L239 F280	T232-L239 PolarHBondContact N-O 2.59Å; T232-L239 PolarHBondContact O-N 3.02Å; T232-F280 HydrophobicContact CG2-CE1 4.47Å
233	V	84.4	Confident	82.8	Confident	19 Å²	19	49 Å²	49	12%	0.115	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	133.6	-173	177.3	0	0	0	0	109.8	Q218 M221 L225	Q218-V233 PolarHBondContact NE2-O 3.22Å; Q218-V233 VanDerWaalsContact NE2-O 3.16Å; M221-V233 HydrophobicContact CB-CG1 3.5Å; M221-V233 VanDerWaalsContact CB-CG1 3.5Å; M221-V233 HydrophobicContact CG-CG1 4.47Å; L225-V233 HydrophobicContact CB-CG2 4.15Å; L225-V233 HydrophobicContact CD1-CG2 3.61Å; L225-V233 HydrophobicContact CG-CG2 4.45Å
234	Y	78.6	Confident	82.3	Confident	63 Å²	63	50.5 Å²	50.5	25%	0.247	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	101.8	169.6	-169.3	-95.2	0	0	0	110.6	D236 D237 L281 G392	Y234-D236 PolarHBondContact O-N 3.48Å; Y234-D237 PolarHBondContact N-O 2.84Å; Y234-D237 PolarHBondContact O-N 3.38Å; Y234-L281 HydrophobicContact CD1-CD1 4.02Å; Y234-L281 HydrophobicContact CD1-CD2 3.28Å; Y234-L281 HydrophobicContact CD1-CG 4.3Å; Y234-L281 HydrophobicContact CD2-CD1 4.06Å; Y234-L281 HydrophobicContact CE1-CD2 3.92Å; Y234-L281 HydrophobicContact CG-CD1 3.69Å; Y234-L281 HydrophobicContact CG-CD2 3.77Å; Y234-L281 HydrophobicContact CG-CG 4.39Å; Y234-G392 VanDerWaalsContact OH-CA 3.24Å; Y234-G392 WeakPolarHBondContact OH-CA 3.42Å
235	F	72.4	Confident	81.7	Confident	35 Å²	35	51.9 Å²	51.9	15%	0.154	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.5	-107.1	-167.3	-56.5	-64.7	0	0	0	111.7	P214 F217 Q218	P214-F235 HydrophobicContact CB-CD1 3.86Å; P214-F235 HydrophobicContact CB-CE1 3.43Å; P214-F235 VanDerWaalsContact CB-CE1 3.43Å; P214-F235 HydrophobicContact CB-CZ 4.17Å; P214-F235 WeakPolarHBondContact O-CD1 3.03Å; P214-F235 VanDerWaalsContact O-CE1 3.32Å; P214-F235 WeakPolarHBondContact O-CE1 3.36Å; F217-F235 VanDerWaalsContact CE1-O 3.3Å; F217-F235 WeakPolarHBondContact CE1-O 3.42Å; Q218-F235 HydrophobicContact CB-CD1 4.21Å; Q218-F235 HydrophobicContact CB-CE1 4.34Å
236	D	73.9	Confident	81.2	Confident	58 Å²	58	55.6 Å²	55.6	31%	0.31	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-5	-175.3	56	-47.7	0	0	0	114.6	S41 R42 Y234	S41-D236 WeakPolarHBondContact CB-OD2 3.17Å; S41-D236 PolarHBondContact N-O 3.19Å; S41-D236 VanDerWaalsContact N-O 3.13Å; S41-D236 VanDerWaalsContact OG-CG 3.24Å; S41-D236 PolarHBondContact OG-O 2.7Å; S41-D236 PolarHBondContact OG-OD2 2.86Å; R42-D236 PolarHBondContact N-O 2.68Å; Y234-D236 PolarHBondContact O-N 3.48Å
237	D	77.7	Confident	81.1	Confident	31 Å²	31	50.1 Å²	50.1	17%	0.166	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	126.4	173	-77.5	-31.5	0	0	0	110.4	R42 Y234 F280	R42-D237 VanDerWaalsContact CB-OD1 3.29Å; R42-D237 WeakPolarHBondContact CB-OD1 3.31Å; Y234-D237 PolarHBondContact N-O 2.84Å; Y234-D237 PolarHBondContact O-N 3.38Å; D237-F280 HydrophobicContact CB-CE2 3.84Å; D237-F280 HydrophobicContact CB-CZ 4.36Å
238	V	86.1	Confident	81.1	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	129	174.8	-178.8	0	0	0	0	110.5	L40 R42 L43 V44 M221 L225	L40-V238 HydrophobicContact CD1-CG2 4.15Å; L40-V238 HydrophobicContact CD2-CG2 4.35Å; R42-V238 PolarHBondContact O-N 3.36Å; L43-V238 CarbonylContact C-O 3.58Å; L43-V238 WeakPolarHBondContact CA-O 3.4Å; L43-V238 HydrophobicContact CD1-CB 3.87Å; L43-V238 HydrophobicContact CD1-CG1 3.78Å; V44-V238 PolarHBondContact N-O 3.15Å; M221-V238 HydrophobicContact CE-CG2 4.24Å; L225-V238 HydrophobicContact CD1-CG1 4.04Å; L225-V238 HydrophobicContact CD1-CG2 4.18Å
239	L	86.7	Confident	80.9	Confident	11 Å²	11	49.8 Å²	49.8	6%	0.058	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125.8	174.7	173.3	65.2	0	0	0	110.3	V44 A46 T231 T232 F280 I285	V44-L239 HydrophobicContact CB-CD1 3.86Å; V44-L239 HydrophobicContact CG1-CD1 3.5Å; V44-L239 CarbonylContact O-C 2.9Å; A46-L239 HydrophobicContact CB-CD1 4.36Å; T231-L239 CarbonylContact C-O 3.48Å; T231-L239 VanDerWaalsContact CA-O 3.31Å; T231-L239 WeakPolarHBondContact CA-O 3.09Å; T232-L239 PolarHBondContact N-O 2.59Å; T232-L239 PolarHBondContact O-N 3.02Å; L239-F280 HydrophobicContact CB-CD1 4.46Å; L239-F280 HydrophobicContact CB-CD2 4.08Å; L239-F280 HydrophobicContact CB-CE1 4.06Å; L239-F280 HydrophobicContact CB-CE2 3.64Å; L239-F280 HydrophobicContact CB-CG 4.47Å; L239-F280 HydrophobicContact CB-CZ 3.64Å; L239-F280 HydrophobicContact CD2-CD1 3.98Å; L239-F280 HydrophobicContact CD2-CE1 4.12Å; L239-F280 HydrophobicContact CD2-CG 4.28Å; L239-I285 HydrophobicContact CD2-CD1 3.85Å
240	V	87.9	Confident	81.2	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	132.2	172.4	-164.9	0	0	0	0	108.2	L43 V44 V45 A46 G230 T231 L248 W251 V255	L43-V240 HydrophobicContact CD1-CG2 3.78Å; V44-V240 PolarHBondContact O-N 3.42Å; V45-V240 WeakPolarHBondContact CA-O 3.35Å; V45-V240 HydrophobicContact CG2-CB 4.42Å; A46-V240 PolarHBondContact N-O 3.03Å; G230-V240 WeakPolarHBondContact O-CA 3.45Å; T231-V240 HydrophobicContact CG2-CG1 4.5Å; T231-V240 HydrophobicContact CG2-CG2 4.43Å; V240-L248 HydrophobicContact CG1-CD1 4.27Å; V240-W251 HydrophobicContact CG1-CB 3.83Å; V240-V255 HydrophobicContact CG2-CG2 4.06Å
241	R	85.4	Confident	81.6	Confident	150 Å²	150	51.5 Å²	51.5	57%	0.566	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.3	137.5	-175.7	40.4	165.8	-119.3	130.2	10.1	110	A46 G230	A46-R241 HydrophobicContact CB-CB 4.42Å; G230-R241 WeakPolarHBondContact CA-O 3.27Å; G230-R241 WeakPolarHBondContact O-CG 3.43Å; G230-R241 PolarHBondContact O-N 2.95Å
242	G	77.6	Confident	81.8	Confident	16 Å²	16	50.2 Å²	50.2	17%	0.165	25%	0.254	C	S	.	.			trans	-139.6	154.2	-178.8	0	0	0	0	0	110.8
243	S	75.4	Confident	82.2	Confident	78 Å²	78	50.4 Å²	50.4	55%	0.545	25%	0.247	S	C	.	.	S	Bend	trans	-81.2	-26.8	178.6	68.6	0	0	0	0	112.7	P48 E247	P48-S243 WeakPolarHBondContact CB-O 3.2Å; P48-S243 WeakPolarHBondContact CG-O 3.25Å; S243-E247 WeakPolarHBondContact CA-OE2 3.49Å; S243-E247 WeakPolarHBondContact CB-OE2 3.49Å; S243-E247 PolarHBondContact N-OE2 2.92Å; S243-E247 PolarHBondContact OG-OE2 3.02Å
244	M	74.2	Confident	82.5	Confident	107 Å²	107	53.1 Å²	53.1	53%	0.527	26%	0.259	S	S	.	.	S	Bend	trans	-132.7	162.3	177.1	-56.1	-168.5	-58.4	0	0	110.9	E247 L248	M244-E247 HydrophobicContact CB-CB 4.49Å; M244-E247 PolarHBondContact N-OE2 2.81Å; M244-L248 WeakPolarHBondContact O-CB 3.43Å; M244-L248 PolarHBondContact O-N 3.06Å
245	L	75.8	Confident	83.1	Confident	66 Å²	66	50.1 Å²	50.1	35%	0.346	25%	0.247	S	C	.	.	H	α-helix	trans	-67.2	-42.7	-178.8	-83.3	161.8	0	0	0	115.6	A47 F94 E247 L248 R249	A47-L245 HydrophobicContact CB-CD2 4.47Å; F94-L245 HydrophobicContact CD2-CD1 3.59Å; F94-L245 HydrophobicContact CD2-CD2 3.53Å; F94-L245 HydrophobicContact CD2-CG 4.18Å; F94-L245 HydrophobicContact CE2-CD1 4.03Å; F94-L245 HydrophobicContact CE2-CD2 3.29Å; F94-L245 HydrophobicContact CE2-CG 4.18Å; F94-L245 HydrophobicContact CG-CD2 4.48Å; F94-L245 HydrophobicContact CZ-CD2 4.06Å; L245-E247 VanDerWaalsContact C-N 3.35Å; L245-E247 PolarHBondContact O-N 3.21Å; L245-L248 HydrophobicContact CD2-CD2 4.45Å; L245-L248 PolarHBondContact O-N 2.82Å; L245-R249 WeakPolarHBondContact O-CB 3.12Å; L245-R249 PolarHBondContact O-N 3.42Å
246	P	78.5	Confident	84	Confident	82 Å²	82	48.5 Å²	48.5	53%	0.532	24%	0.24	S	C	.	.	H	α-helix	trans	-60.2	-46.5	175.7	-24.3	35.3	0	0	0	111.5	L248 R249 D250	P246-L248 PolarHBondContact O-N 3.16Å; P246-R249 WeakPolarHBondContact O-CB 3.49Å; P246-R249 PolarHBondContact O-N 2.9Å; P246-D250 PolarHBondContact O-N 3.26Å
247	E	83.8	Confident	84.9	Confident	57 Å²	57	49 Å²	49	27%	0.266	24%	0.24	S	C	.	.	H	α-helix	trans	-54.7	-50.2	175	178.7	-168.2	-174	0	0	111.7	S243 M244 L245 R249 D250 W251	S243-E247 WeakPolarHBondContact CA-OE2 3.49Å; S243-E247 WeakPolarHBondContact CB-OE2 3.49Å; S243-E247 PolarHBondContact N-OE2 2.92Å; S243-E247 PolarHBondContact OG-OE2 3.02Å; M244-E247 HydrophobicContact CB-CB 4.49Å; M244-E247 PolarHBondContact N-OE2 2.81Å; L245-E247 VanDerWaalsContact C-N 3.35Å; L245-E247 PolarHBondContact O-N 3.21Å; E247-R249 VanDerWaalsContact C-N 3.32Å; E247-R249 PolarHBondContact O-N 3.1Å; E247-D250 PolarHBondContact O-N 3.3Å; E247-W251 HydrophobicContact CG-CZ2 4.09Å; E247-W251 PolarHBondContact O-N 2.85Å; E247-W251 PolarHBondContact OE1-NE1 3.4Å
248	L	83.6	Confident	85.5	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-61.7	-38.8	-179.8	-177.2	63.6	0	0	0	112.7	V45 A46 A47 V240 M244 L245 P246 L252	V45-L248 HydrophobicContact CG1-CD1 3.56Å; V45-L248 HydrophobicContact CG1-CD2 3.91Å; V45-L248 HydrophobicContact CG1-CG 3.69Å; A46-L248 WeakPolarHBondContact O-CD1 3.4Å; A46-L248 WeakPolarHBondContact O-CD2 3.44Å; A47-L248 HydrophobicContact CB-CD2 3.69Å; V240-L248 HydrophobicContact CG1-CD1 4.27Å; M244-L248 WeakPolarHBondContact O-CB 3.43Å; M244-L248 PolarHBondContact O-N 3.06Å; L245-L248 HydrophobicContact CD2-CD2 4.45Å; L245-L248 PolarHBondContact O-N 2.82Å; P246-L248 PolarHBondContact O-N 3.16Å; L248-L252 VanDerWaalsContact O-CB 3.27Å; L248-L252 WeakPolarHBondContact O-CB 3.3Å; L248-L252 PolarHBondContact O-N 2.74Å
249	R	84.4	Confident	85.7	Confident	92 Å²	92	48.9 Å²	48.9	35%	0.347	24%	0.241	S	C	.	.	H	α-helix	trans	-63.3	-43.7	175.1	-179	-159	-175.2	-160.7	4.6	111	T97 L101 L245 P246 E247 L252 R253	T97-R249 HydrophobicContact CG2-CG 4.38Å; L101-R249 HydrophobicContact CD2-CG 4.47Å; L245-R249 WeakPolarHBondContact O-CB 3.12Å; L245-R249 PolarHBondContact O-N 3.42Å; P246-R249 WeakPolarHBondContact O-CB 3.49Å; P246-R249 PolarHBondContact O-N 2.9Å; E247-R249 VanDerWaalsContact C-N 3.32Å; E247-R249 PolarHBondContact O-N 3.1Å; R249-L252 PolarHBondContact O-N 2.76Å; R249-R253 WeakPolarHBondContact O-CB 3.35Å; R249-R253 PolarHBondContact O-N 2.81Å
250	D	87.8	Confident	85.8	Confident	70 Å²	70	52 Å²	52	37%	0.374	25%	0.252	S	S	.	.	H	α-helix	trans	-71.6	-38.4	-176.6	-66.8	-22.5	0	0	0	112	P246 E247 Q254	P246-D250 PolarHBondContact O-N 3.26Å; E247-D250 PolarHBondContact O-N 3.3Å; D250-Q254 WeakPolarHBondContact O-CG 3.24Å; D250-Q254 PolarHBondContact O-N 3.3Å; D250-Q254 PolarHBondContact O-NE2 2.81Å; D250-Q254 VanDerWaalsContact O-NE2 3.11Å
251	W	89.5	Confident	85.9	Confident	52 Å²	52	56.7 Å²	56.7	20%	0.197	28%	0.277	C	S	.	.	H	α-helix	trans	-65.3	-42.4	170	-57	146.8	0	0	0	111.8	I228 P229 V240 E247 Q254 V255	I228-W251 HydrophobicContact CG2-CB 4.03Å; I228-W251 HydrophobicContact CG2-CD2 4.35Å; I228-W251 HydrophobicContact CG2-CE3 3.93Å; I228-W251 HydrophobicContact CG2-CG 4.39Å; P229-W251 HydrophobicContact CG-CD2 3.96Å; P229-W251 HydrophobicContact CG-CE3 3.87Å; P229-W251 HydrophobicContact CG-CH2 3.37Å; P229-W251 HydrophobicContact CG-CZ2 3.41Å; P229-W251 VanDerWaalsContact CG-CZ2 3.41Å; P229-W251 HydrophobicContact CG-CZ3 3.57Å; V240-W251 HydrophobicContact CG1-CB 3.83Å; E247-W251 HydrophobicContact CG-CZ2 4.09Å; E247-W251 PolarHBondContact O-N 2.85Å; E247-W251 PolarHBondContact OE1-NE1 3.4Å; W251-Q254 VanDerWaalsContact CZ3-NE2 3.26Å; W251-Q254 PolarHBondContact O-N 2.85Å; W251-V255 WeakPolarHBondContact O-CG2 3.4Å; W251-V255 PolarHBondContact O-N 2.85Å
252	L	89.8	Confident	85.9	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-62	-43.9	176.3	178.3	58.1	0	0	0	111.9	L43 V45 I98 L101 L248 R249 Q254 V255 L256 F273	L43-L252 HydrophobicContact CD2-CD1 3.93Å; V45-L252 HydrophobicContact CG1-CD2 4.18Å; V45-L252 HydrophobicContact CG2-CD1 3.67Å; V45-L252 HydrophobicContact CG2-CD2 4.05Å; V45-L252 HydrophobicContact CG2-CG 4.39Å; I98-L252 HydrophobicContact CG2-CD2 4.32Å; L101-L252 HydrophobicContact CD2-CB 4.15Å; L101-L252 HydrophobicContact CD2-CD2 3.81Å; L101-L252 HydrophobicContact CD2-CG 3.76Å; L248-L252 VanDerWaalsContact O-CB 3.27Å; L248-L252 WeakPolarHBondContact O-CB 3.3Å; L248-L252 PolarHBondContact O-N 2.74Å; R249-L252 PolarHBondContact O-N 2.76Å; L252-Q254 VanDerWaalsContact C-N 3.34Å; L252-Q254 PolarHBondContact O-N 3.1Å; L252-V255 PolarHBondContact O-N 2.96Å; L252-L256 HydrophobicContact CD1-CD1 4Å; L252-L256 HydrophobicContact CD1-CG 4.07Å; L252-L256 HydrophobicContact CG-CD1 3.98Å; L252-L256 HydrophobicContact CG-CG 4.47Å; L252-L256 WeakPolarHBondContact O-CG 3.15Å; L252-L256 PolarHBondContact O-N 3.14Å; L252-F273 HydrophobicContact CD1-CE1 4.5Å; L252-F273 HydrophobicContact CD2-CD1 4.35Å
253	R	91.8	Very high	86.2	Confident	67 Å²	67	50.3 Å²	50.3	25%	0.253	25%	0.254	S	S	.	.	H	α-helix	trans	-59.5	-45.1	175.4	177.3	172.5	-82.6	129.2	-9	111	L101 E104 F105 R249 V255 L256 Q257	L101-R253 HydrophobicContact CD1-CB 3.83Å; L101-R253 HydrophobicContact CD1-CG 4.01Å; L101-R253 HydrophobicContact CD2-CB 4.2Å; E104-R253 IonicContact OE1-NE 2.85Å; E104-R253 PolarHBondContact OE1-NE 3.07Å; E104-R253 IonicContact OE1-NH2 2.83Å; E104-R253 IonicContact OE2-CZ 2.94Å; E104-R253 IonicContact OE2-NE 3.35Å; E104-R253 IonicContact OE2-NH2 3.37Å; E104-R253 PolarHBondContact OE2-NH2 3.28Å; F105-R253 HydrophobicContact CE2-CG 4.05Å; F105-R253 HydrophobicContact CZ-CG 4.21Å; R249-R253 WeakPolarHBondContact O-CB 3.35Å; R249-R253 PolarHBondContact O-N 2.81Å; R253-V255 PolarHBondContact O-N 3.19Å; R253-L256 PolarHBondContact O-N 2.99Å; R253-Q257 WeakPolarHBondContact O-CB 3.16Å; R253-Q257 PolarHBondContact O-N 3.32Å
254	Q	92.3	Very high	86.6	Confident	76 Å²	76	46.8 Å²	46.8	36%	0.355	23%	0.229	S	C	.	.	H	α-helix	trans	-62	-42	177.3	-74.8	169	65.8	0	0	112.2	I228 D250 W251 L252 Q257 V258	I228-Q254 HydrophobicContact CD1-CB 3.74Å; I228-Q254 HydrophobicContact CG1-CB 4.08Å; I228-Q254 HydrophobicContact CG2-CB 4.25Å; D250-Q254 WeakPolarHBondContact O-CG 3.24Å; D250-Q254 PolarHBondContact O-N 3.3Å; D250-Q254 PolarHBondContact O-NE2 2.81Å; D250-Q254 VanDerWaalsContact O-NE2 3.11Å; W251-Q254 VanDerWaalsContact CZ3-NE2 3.26Å; W251-Q254 PolarHBondContact O-N 2.85Å; L252-Q254 VanDerWaalsContact C-N 3.34Å; L252-Q254 PolarHBondContact O-N 3.1Å; Q254-Q257 PolarHBondContact O-N 2.82Å; Q254-V258 WeakPolarHBondContact O-CG2 3.45Å; Q254-V258 PolarHBondContact O-N 3.17Å
255	V	91	Very high	87	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.006	21%	0.212	C	C	.	.	H	α-helix	trans	-61.1	-50.5	175.3	173	0	0	0	0	110.5	L43 L225 I228 T231 V240 W251 L252 R253 Q257 V258 L259	L43-V255 HydrophobicContact CD1-CG1 4.12Å; L225-V255 HydrophobicContact CD2-CG1 4.34Å; L225-V255 HydrophobicContact CD2-CG2 4.32Å; I228-V255 HydrophobicContact CD1-CB 4.43Å; I228-V255 HydrophobicContact CD1-CG2 3.77Å; I228-V255 HydrophobicContact CG2-CG2 4.3Å; T231-V255 HydrophobicContact CG2-CG2 3.48Å; T231-V255 VanDerWaalsContact CG2-CG2 3.48Å; V240-V255 HydrophobicContact CG2-CG2 4.06Å; W251-V255 WeakPolarHBondContact O-CG2 3.4Å; W251-V255 PolarHBondContact O-N 2.85Å; L252-V255 PolarHBondContact O-N 2.96Å; R253-V255 PolarHBondContact O-N 3.19Å; V255-Q257 VanDerWaalsContact C-N 3.29Å; V255-Q257 PolarHBondContact O-N 2.67Å; V255-V258 PolarHBondContact O-N 3.34Å; V255-L259 HydrophobicContact CG1-CD1 4.25Å; V255-L259 HydrophobicContact CG1-CG 4.47Å; V255-L259 WeakPolarHBondContact O-CG 3.34Å; V255-L259 PolarHBondContact O-N 3.21Å
256	L	91.7	Very high	87.3	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.5	-36	179.8	-66.2	171.3	0	0	0	112.1	L43 L101 L102 F105 V108 F109 L252 R253 L259 R260	L43-L256 HydrophobicContact CD2-CD2 4.01Å; L101-L256 HydrophobicContact CD2-CD1 4.25Å; L101-L256 HydrophobicContact CG-CD1 4.1Å; L102-L256 HydrophobicContact CD2-CD1 4.44Å; F105-L256 HydrophobicContact CB-CB 4.08Å; F105-L256 HydrophobicContact CB-CD1 4.1Å; F105-L256 HydrophobicContact CB-CG 4.49Å; F105-L256 HydrophobicContact CD1-CB 3.72Å; F105-L256 HydrophobicContact CD2-CB 3.98Å; F105-L256 HydrophobicContact CD2-CD1 4.08Å; F105-L256 HydrophobicContact CE1-CB 4.13Å; F105-L256 HydrophobicContact CE2-CB 4.37Å; F105-L256 HydrophobicContact CG-CB 3.64Å; F105-L256 HydrophobicContact CG-CD1 4.17Å; F105-L256 HydrophobicContact CG-CG 4.46Å; F105-L256 HydrophobicContact CZ-CB 4.44Å; V108-L256 HydrophobicContact CG1-CD2 4.38Å; F109-L256 HydrophobicContact CE2-CD2 4.06Å; F109-L256 HydrophobicContact CZ-CD2 3.69Å; L252-L256 HydrophobicContact CD1-CD1 4Å; L252-L256 HydrophobicContact CD1-CG 4.07Å; L252-L256 HydrophobicContact CG-CD1 3.98Å; L252-L256 HydrophobicContact CG-CG 4.47Å; L252-L256 WeakPolarHBondContact O-CG 3.15Å; L252-L256 PolarHBondContact O-N 3.14Å; R253-L256 PolarHBondContact O-N 2.99Å; L256-L259 PolarHBondContact O-N 3.37Å; L256-R260 WeakPolarHBondContact O-CB 3.41Å; L256-R260 PolarHBondContact O-N 3.16Å
257	Q	92.5	Very high	87.3	Confident	68 Å²	68	40.2 Å²	40.2	32%	0.318	18%	0.183	S	C	.	.	H	α-helix	trans	-66.7	-41.1	174	-168.5	66.2	55.1	0	0	112.3	F105 R253 Q254 V255 L259 R260 N261	F105-Q257 HydrophobicContact CE1-CB 4.12Å; F105-Q257 HydrophobicContact CZ-CB 4.23Å; R253-Q257 WeakPolarHBondContact O-CB 3.16Å; R253-Q257 PolarHBondContact O-N 3.32Å; Q254-Q257 PolarHBondContact O-N 2.82Å; V255-Q257 VanDerWaalsContact C-N 3.29Å; V255-Q257 PolarHBondContact O-N 2.67Å; Q257-L259 VanDerWaalsContact C-N 3.35Å; Q257-R260 PolarHBondContact O-N 2.6Å; Q257-N261 PolarHBondContact NE2-OD1 2.78Å; Q257-N261 VanDerWaalsContact O-CB 3.26Å; Q257-N261 WeakPolarHBondContact O-CB 3.35Å; Q257-N261 PolarHBondContact O-N 3.48Å; Q257-N261 PolarHBondContact O-OD1 3.22Å
258	V	90.6	Very high	87.2	Confident	29 Å²	29	43.2 Å²	43.2	18%	0.176	20%	0.196	C	C	.	.	H	α-helix	trans	-62.3	-43.4	173.4	169.5	0	0	0	0	110.6	L224 L225 I228 Q254 V255 N261 T262	L224-V258 HydrophobicContact CB-CG1 4.07Å; L225-V258 HydrophobicContact CD2-CB 4.15Å; L225-V258 HydrophobicContact CD2-CG1 3.91Å; I228-V258 HydrophobicContact CD1-CG2 4.13Å; Q254-V258 WeakPolarHBondContact O-CG2 3.45Å; Q254-V258 PolarHBondContact O-N 3.17Å; V255-V258 PolarHBondContact O-N 3.34Å; V258-N261 PolarHBondContact O-N 2.99Å; V258-T262 HydrophobicContact CG1-CG2 4.23Å; V258-T262 WeakPolarHBondContact O-CB 3.43Å; V258-T262 VanDerWaalsContact O-CG2 3.27Å; V258-T262 WeakPolarHBondContact O-CG2 3.5Å; V258-T262 PolarHBondContact O-N 3.13Å; V258-T262 PolarHBondContact O-OG1 3.06Å
259	L	89.1	Confident	87	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-62.4	-47.1	176.6	-63.4	-179.6	0	0	0	111.8	L40 V108 V255 L256 Q257 N261 T262 G263 L264	L40-L259 HydrophobicContact CD1-CD1 3.84Å; L40-L259 HydrophobicContact CD1-CD2 3.5Å; L40-L259 HydrophobicContact CD1-CG 4.34Å; V108-L259 HydrophobicContact CG1-CB 3.83Å; V108-L259 HydrophobicContact CG1-CD1 4.07Å; V255-L259 HydrophobicContact CG1-CD1 4.25Å; V255-L259 HydrophobicContact CG1-CG 4.47Å; V255-L259 WeakPolarHBondContact O-CG 3.34Å; V255-L259 PolarHBondContact O-N 3.21Å; L256-L259 PolarHBondContact O-N 3.37Å; Q257-L259 VanDerWaalsContact C-N 3.35Å; L259-N261 PolarHBondContact O-N 2.93Å; L259-T262 PolarHBondContact O-OG1 3.35Å; L259-G263 CarbonylContact O-C 3.58Å; L259-G263 WeakPolarHBondContact O-CA 3.36Å; L259-G263 PolarHBondContact O-N 2.76Å; L259-L264 CarbonylContact C-O 3.58Å; L259-L264 HydrophobicContact CB-CB 4.46Å; L259-L264 HydrophobicContact CD2-CB 3.76Å; L259-L264 HydrophobicContact CD2-CD1 3.93Å; L259-L264 HydrophobicContact CD2-CG 4.5Å; L259-L264 PolarHBondContact O-N 3Å
260	R	89.7	Confident	86.7	Confident	76 Å²	76	49.5 Å²	49.5	29%	0.287	23%	0.227	S	C	.	.	H	α-helix	trans	-57.5	-48.7	173.6	173.7	179.3	-86.8	171.4	-11.6	112.3	E104 F105 D107 V108 L256 Q257 G263	E104-R260 PolarHBondContact O-NH1 3.4Å; E104-R260 PolarHBondContact O-NH2 3.16Å; F105-R260 HydrophobicContact CD1-CB 4.35Å; F105-R260 HydrophobicContact CE1-CB 4.44Å; D107-R260 IonicContact OD1-CZ 3.79Å; D107-R260 VanDerWaalsContact OD1-CZ 3.3Å; D107-R260 IonicContact OD1-NE 3.5Å; D107-R260 PolarHBondContact OD1-NE 3.08Å; D107-R260 IonicContact OD1-NH2 2.72Å; D107-R260 PolarHBondContact OD1-NH2 3.18Å; D107-R260 IonicContact OD2-CZ 3.41Å; D107-R260 IonicContact OD2-NE 3.32Å; D107-R260 PolarHBondContact OD2-NE 2.65Å; D107-R260 IonicContact OD2-NH2 3.01Å; V108-R260 HydrophobicContact CG2-CB 3.88Å; L256-R260 WeakPolarHBondContact O-CB 3.41Å; L256-R260 PolarHBondContact O-N 3.16Å; Q257-R260 PolarHBondContact O-N 2.6Å; R260-G263 PolarHBondContact O-N 3.47Å
261	N	89.3	Confident	86.5	Confident	100 Å²	100	46.8 Å²	46.8	54%	0.535	21%	0.213	S	C	.	.	H	α-helix	trans	-65.2	-44	-177.1	-72.7	-1.4	0	0	0	112	Q257 V258 L259 G263	Q257-N261 PolarHBondContact NE2-OD1 2.78Å; Q257-N261 VanDerWaalsContact O-CB 3.26Å; Q257-N261 WeakPolarHBondContact O-CB 3.35Å; Q257-N261 PolarHBondContact O-N 3.48Å; Q257-N261 PolarHBondContact O-OD1 3.22Å; V258-N261 PolarHBondContact O-N 2.99Å; L259-N261 PolarHBondContact O-N 2.93Å; N261-G263 PolarHBondContact O-N 2.88Å
262	T	85.3	Confident	86.3	Confident	18 Å²	18	47.4 Å²	47.4	11%	0.11	22%	0.22	C	C	.	.	H	α-helix	trans	-75.9	-14.2	176.3	57.3	0	0	0	0	112.9	Y116 K117 L224 V258 L259 L264	Y116-T262 CarbonylContact C-O 3.52Å; Y116-T262 VanDerWaalsContact CA-O 3.28Å; Y116-T262 WeakPolarHBondContact CA-O 3.2Å; Y116-T262 HydrophobicContact CE2-CG2 4.44Å; K117-T262 PolarHBondContact N-O 3.3Å; L224-T262 HydrophobicContact CD1-CG2 3.97Å; L224-T262 HydrophobicContact CD2-CG2 3.47Å; L224-T262 VanDerWaalsContact CD2-CG2 3.47Å; L224-T262 HydrophobicContact CG-CG2 4.31Å; V258-T262 HydrophobicContact CG1-CG2 4.23Å; V258-T262 WeakPolarHBondContact O-CB 3.43Å; V258-T262 VanDerWaalsContact O-CG2 3.27Å; V258-T262 WeakPolarHBondContact O-CG2 3.5Å; V258-T262 PolarHBondContact O-N 3.13Å; V258-T262 PolarHBondContact O-OG1 3.06Å; L259-T262 PolarHBondContact O-OG1 3.35Å; T262-L264 VanDerWaalsContact C-N 3.29Å; T262-L264 WeakPolarHBondContact OG1-CG 3.32Å
263	G	83.5	Confident	86	Confident	14 Å²	14	49.6 Å²	49.6	14%	0.144	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	17.4	-175.5	0	0	0	0	0	114.5	G114 T115 L259 R260 N261	G114-G263 CarbonylContact C-O 3.49Å; G114-G263 WeakPolarHBondContact CA-O 3.4Å; T115-G263 CarbonylContact C-O 3.58Å; T115-G263 PolarHBondContact N-O 3.49Å; T115-G263 CarbonylContact O-C 3.41Å; T115-G263 WeakPolarHBondContact O-CA 3.43Å; L259-G263 CarbonylContact O-C 3.58Å; L259-G263 WeakPolarHBondContact O-CA 3.36Å; L259-G263 PolarHBondContact O-N 2.76Å; R260-G263 PolarHBondContact O-N 3.47Å; N261-G263 PolarHBondContact O-N 2.88Å
264	L	83.9	Confident	85.1	Confident	4 Å²	4	47 Å²	47	2%	0.021	22%	0.224	C	C	.	.			trans	-71.6	137.6	168.4	-62.9	175.4	0	0	0	110.1	C38 Y116 M221 L224 L259 T262	C38-L264 HydrophobicContact CB-CD2 3.42Å; C38-L264 VanDerWaalsContact CB-CD2 3.42Å; Y116-L264 HydrophobicContact CD2-CD2 3.92Å; Y116-L264 HydrophobicContact CD2-CG 4.18Å; M221-L264 HydrophobicContact CE-CD1 4.4Å; M221-L264 HydrophobicContact SD-CD1 3.64Å; L224-L264 HydrophobicContact CD1-CD1 3.82Å; L259-L264 CarbonylContact C-O 3.58Å; L259-L264 HydrophobicContact CB-CB 4.46Å; L259-L264 HydrophobicContact CD2-CB 3.76Å; L259-L264 HydrophobicContact CD2-CD1 3.93Å; L259-L264 HydrophobicContact CD2-CG 4.5Å; L259-L264 PolarHBondContact O-N 3Å; T262-L264 VanDerWaalsContact C-N 3.29Å; T262-L264 WeakPolarHBondContact OG1-CG 3.32Å
265	R	82.2	Confident	84.5	Confident	43 Å²	43	45.1 Å²	45.1	16%	0.162	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	158.6	173.2	-72.6	-169.7	-145.6	-79.7	6.2	112.2	R39 L40 D107 V108 D112 L113	R39-R265 CarbonylContact C-O 3.55Å; R39-R265 VanDerWaalsContact CA-O 3.3Å; R39-R265 WeakPolarHBondContact CA-O 3.27Å; R39-R265 HydrophobicContact CG-CB 4.28Å; L40-R265 PolarHBondContact N-O 3.23Å; D107-R265 PolarHBondContact O-NH1 2.96Å; V108-R265 CarbonylContact O-C 3.49Å; V108-R265 WeakPolarHBondContact O-CA 3.37Å; V108-R265 WeakPolarHBondContact O-CB 3.49Å; V108-R265 WeakPolarHBondContact O-CG 3.24Å; D112-R265 VanDerWaalsContact CG-NH2 3.34Å; D112-R265 WeakPolarHBondContact O-CD 3.22Å; D112-R265 PolarHBondContact O-NE 2.98Å; D112-R265 IonicContact OD1-CZ 3.49Å; D112-R265 IonicContact OD1-NE 2.72Å; D112-R265 IonicContact OD1-NH2 2.61Å; D112-R265 PolarHBondContact OD1-NH2 3.12Å; D112-R265 IonicContact OD2-CZ 2.74Å; D112-R265 IonicContact OD2-NE 3.01Å; D112-R265 IonicContact OD2-NH2 3.54Å; D112-R265 PolarHBondContact OD2-NH2 3.03Å; L113-R265 PolarHBondContact O-NE 3.16Å
266	A	82.7	Confident	83.7	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	142.4	173.9	0	0	0	0	0	111.2	L40 V108 F109 K268	L40-A266 HydrophobicContact CB-CB 4.38Å; V108-A266 PolarHBondContact O-N 3.39Å; F109-A266 HydrophobicContact CD1-CB 4.21Å; F109-A266 HydrophobicContact CE1-CB 3.97Å; A266-K268 PolarHBondContact O-N 2.83Å
267	R	79.5	Confident	83.1	Confident	73 Å²	73	51.1 Å²	51.1	28%	0.275	26%	0.256	S	S	.	.			trans	-81.2	100.5	178.6	-169.9	170.8	-176.2	156.7	0.5	111.4	L40 E269 K270 C271	L40-R267 PolarHBondContact O-N 3.28Å; L40-R267 VanDerWaalsContact O-N 3.11Å; R267-E269 VanDerWaalsContact C-N 3.29Å; R267-E269 HydrophobicContact CG-CB 4.46Å; R267-E269 WeakPolarHBondContact CG-OE1 3.49Å; R267-E269 IonicContact CZ-OE1 2.8Å; R267-E269 IonicContact CZ-OE2 3.35Å; R267-E269 VanDerWaalsContact CZ-OE2 3.23Å; R267-E269 IonicContact NE-OE1 3.38Å; R267-E269 PolarHBondContact NE-OE1 3.28Å; R267-E269 IonicContact NE-OE2 3.69Å; R267-E269 PolarHBondContact NE-OE2 2.95Å; R267-E269 IonicContact NH2-OE1 3.49Å; R267-E269 PolarHBondContact NH2-OE1 2.8Å; R267-E269 IonicContact NH2-OE2 3.65Å; R267-E269 PolarHBondContact NH2-OE2 3.13Å; R267-E269 PolarHBondContact O-N 3.28Å; R267-K270 PolarHBondContact O-N 3.2Å; R267-C271 PolarHBondContact O-N 2.83Å; R267-C271 PolarHBondContact O-SG 3.31Å
268	K	82.2	Confident	82.7	Confident	121 Å²	121	48.2 Å²	48.2	53%	0.526	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-49	-45	-174.9	-166.4	172.5	-179.4	176.7	0	113.6	F109 A266 K270 C271	F109-K268 HydrophobicContact CB-CB 4.17Å; F109-K268 HydrophobicContact CB-CD 4.27Å; F109-K268 HydrophobicContact CD1-CB 3.93Å; F109-K268 HydrophobicContact CD1-CG 4.26Å; F109-K268 HydrophobicContact CG-CB 4.33Å; F109-K268 HydrophobicContact CG-CD 4.45Å; F109-K268 HydrophobicContact CG-CG 4.48Å; A266-K268 PolarHBondContact O-N 2.83Å; K268-K270 PolarHBondContact O-N 3.05Å; K268-C271 PolarHBondContact O-N 2.88Å; K268-C271 VanDerWaalsContact O-N 3.08Å
269	E	78.1	Confident	82.2	Confident	118 Å²	118	49.1 Å²	49.1	55%	0.551	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-52.8	-27.6	179.2	-58.8	144.1	-103.2	0	0	115	R267	R267-E269 VanDerWaalsContact C-N 3.29Å; R267-E269 HydrophobicContact CG-CB 4.46Å; R267-E269 WeakPolarHBondContact CG-OE1 3.49Å; R267-E269 IonicContact CZ-OE1 2.8Å; R267-E269 IonicContact CZ-OE2 3.35Å; R267-E269 VanDerWaalsContact CZ-OE2 3.23Å; R267-E269 IonicContact NE-OE1 3.38Å; R267-E269 PolarHBondContact NE-OE1 3.28Å; R267-E269 IonicContact NE-OE2 3.69Å; R267-E269 PolarHBondContact NE-OE2 2.95Å; R267-E269 IonicContact NH2-OE1 3.49Å; R267-E269 PolarHBondContact NH2-OE1 2.8Å; R267-E269 IonicContact NH2-OE2 3.65Å; R267-E269 PolarHBondContact NH2-OE2 3.13Å; R267-E269 PolarHBondContact O-N 3.28Å
270	K	78.6	Confident	81.6	Confident	108 Å²	108	49.6 Å²	49.6	47%	0.47	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-102.6	-13.1	-176.3	-72.5	-174.7	171.5	-171	0	113.3	S41 R42 R267 K268	S41-K270 WeakPolarHBondContact O-CB 3.37Å; S41-K270 WeakPolarHBondContact O-CD 3.5Å; R42-K270 WeakPolarHBondContact CD-O 3.44Å; R42-K270 VanDerWaalsContact CG-O 3.31Å; R42-K270 WeakPolarHBondContact CG-O 3.5Å; R267-K270 PolarHBondContact O-N 3.2Å; K268-K270 PolarHBondContact O-N 3.05Å
271	C	84.2	Confident	81	Confident	12 Å²	12	48.8 Å²	48.8	8%	0.081	25%	0.25	C	C	.	.			trans	-77.8	145.2	-177.3	-60.1	0	0	0	0	110.5	L43 R267 K268 F273	L43-C271 HydrophobicContact CB-CB 4.24Å; L43-C271 PolarHBondContact N-SG 3.47Å; L43-C271 VanDerWaalsContact N-SG 3.38Å; L43-C271 CarbonylContact O-C 3.48Å; L43-C271 WeakPolarHBondContact O-CA 3.47Å; L43-C271 WeakPolarHBondContact O-CB 3.3Å; R267-C271 PolarHBondContact O-N 2.83Å; R267-C271 PolarHBondContact O-SG 3.31Å; K268-C271 PolarHBondContact O-N 2.88Å; K268-C271 VanDerWaalsContact O-N 3.08Å; C271-F273 HydrophobicContact CB-CD2 4.34Å; C271-F273 HydrophobicContact CB-CE1 4.42Å; C271-F273 HydrophobicContact CB-CE2 3.44Å; C271-F273 VanDerWaalsContact CB-CE2 3.44Å; C271-F273 HydrophobicContact CB-CZ 3.49Å; C271-F273 VanDerWaalsContact CB-CZ 3.49Å
272	L	83.9	Confident	80	Confident	66 Å²	66	44.7 Å²	44.7	35%	0.346	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	118.6	177.6	-63.9	178.8	0	0	0	109	R42 L43 V44 V45 V275 V278	R42-L272 VanDerWaalsContact NH2-CD1 3.27Å; L43-L272 PolarHBondContact O-N 3.24Å; V44-L272 CarbonylContact C-O 3.56Å; V44-L272 WeakPolarHBondContact CA-O 3.38Å; V45-L272 PolarHBondContact N-O 2.66Å; L272-V275 HydrophobicContact CB-CG1 4.28Å; L272-V275 HydrophobicContact CB-CG2 4.21Å; L272-V278 HydrophobicContact CD1-CG2 3.71Å
273	F	83.6	Confident	79.6	Confident	47 Å²	47	46.9 Å²	46.9	21%	0.206	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	134.4	-175.6	-59.6	-77.7	0	0	0	110.8	L43 V45 I98 L102 F109 L252 C271 V275	L43-F273 HydrophobicContact CD2-CE1 4.01Å; L43-F273 HydrophobicContact CG-CE1 4.43Å; V45-F273 HydrophobicContact CB-CD1 4.47Å; V45-F273 HydrophobicContact CG2-CD1 3.71Å; V45-F273 HydrophobicContact CG2-CE1 4.22Å; I98-F273 HydrophobicContact CG2-CB 4.19Å; L102-F273 HydrophobicContact CD1-CB 4.49Å; L102-F273 HydrophobicContact CD1-CD1 4.3Å; L102-F273 HydrophobicContact CD1-CD2 3.79Å; L102-F273 HydrophobicContact CD1-CE2 4.04Å; L102-F273 HydrophobicContact CD1-CG 3.93Å; L102-F273 HydrophobicContact CD1-CZ 4.41Å; L102-F273 HydrophobicContact CD2-CD1 3.94Å; L102-F273 HydrophobicContact CD2-CD2 4.44Å; L102-F273 HydrophobicContact CD2-CE1 3.56Å; L102-F273 HydrophobicContact CD2-CE2 4.09Å; L102-F273 HydrophobicContact CD2-CG 4.38Å; L102-F273 HydrophobicContact CD2-CZ 3.63Å; F109-F273 AromaticContact CE1-CZ 3.9Å; F109-F273 HydrophobicContact CE1-CZ 3.9Å; F109-F273 HydrophobicContact CZ-CE1 4.38Å; F109-F273 AromaticContact CZ-CZ 3.78Å; F109-F273 HydrophobicContact CZ-CZ 3.78Å; L252-F273 HydrophobicContact CD1-CE1 4.5Å; L252-F273 HydrophobicContact CD2-CD1 4.35Å; C271-F273 HydrophobicContact CB-CD2 4.34Å; C271-F273 HydrophobicContact CB-CE1 4.42Å; C271-F273 HydrophobicContact CB-CE2 3.44Å; C271-F273 VanDerWaalsContact CB-CE2 3.44Å; C271-F273 HydrophobicContact CB-CZ 3.49Å; C271-F273 VanDerWaalsContact CB-CZ 3.49Å; F273-V275 VanDerWaalsContact C-N 3.35Å; F273-V275 PolarHBondContact O-N 3.04Å
274	G	73.2	Confident	79.4	Confident	12 Å²	12	50 Å²	50	12%	0.124	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	66.2	27.1	171.4	0	0	0	0	0	116	V45 F94	V45-G274 WeakPolarHBondContact O-CA 3.38Å; V45-G274 PolarHBondContact O-N 2.94Å; F94-G274 WeakPolarHBondContact CZ-O 3.32Å
275	V	80.4	Confident	79.3	Confident	37 Å²	37	52 Å²	52	22%	0.224	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	137.4	-176.1	-69	0	0	0	0	111.9	V44 V45 A46 A47 L272 F273 V278	V44-V275 HydrophobicContact CG1-CG2 4.46Å; V45-V275 PolarHBondContact O-N 2.88Å; A46-V275 VanDerWaalsContact CA-O 3.27Å; A46-V275 WeakPolarHBondContact CA-O 3.44Å; A47-V275 PolarHBondContact N-O 2.99Å; L272-V275 HydrophobicContact CB-CG1 4.28Å; L272-V275 HydrophobicContact CB-CG2 4.21Å; F273-V275 VanDerWaalsContact C-N 3.35Å; F273-V275 PolarHBondContact O-N 3.04Å; V275-V278 HydrophobicContact CG2-CB 3.87Å; V275-V278 HydrophobicContact CG2-CG2 4.33Å
276	T	74.2	Confident	79.1	Confident	83 Å²	83	52 Å²	52	51%	0.509	26%	0.259	S	S	.	.	S	Bend	trans	-84.6	-12.9	174.7	53.5	0	0	0	0	113.3
277	S	79.1	Confident	78.6	Confident	44 Å²	44	56.3 Å²	56.3	31%	0.308	29%	0.294	S	S	.	.	S	Bend	trans	-142.4	136.6	173.9	-177.5	0	0	0	0	110.1	I285	S277-I285 CarbonylContact C-O 3.41Å; S277-I285 VanDerWaalsContact CA-O 3.25Å; S277-I285 WeakPolarHBondContact CA-O 3.24Å
278	V	82.8	Confident	78	Confident	6 Å²	6	57.2 Å²	57.2	4%	0.036	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	138.4	-178.7	63.9	0	0	0	0	114	V44 L272 V275 R284 I285	V44-V278 HydrophobicContact CG1-CB 3.97Å; V44-V278 HydrophobicContact CG1-CG1 3.68Å; V44-V278 HydrophobicContact CG1-CG2 3.52Å; V44-V278 HydrophobicContact CG2-CG2 4.18Å; L272-V278 HydrophobicContact CD1-CG2 3.71Å; V275-V278 HydrophobicContact CG2-CB 3.87Å; V275-V278 HydrophobicContact CG2-CG2 4.33Å; V278-R284 WeakPolarHBondContact O-CA 3.4Å; V278-I285 HydrophobicContact CG1-CB 4.33Å; V278-I285 PolarHBondContact N-O 3.19Å; V278-I285 PolarHBondContact O-N 3.16Å
279	D	80.1	Confident	77.5	Confident	48 Å²	48	52.9 Å²	52.9	26%	0.257	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	111.1	168.9	-62.8	-49.5	0	0	0	110.5	R42 Y283 R284 S293	R42-D279 VanDerWaalsContact CZ-O 3.31Å; R42-D279 PolarHBondContact NH1-O 2.72Å; R42-D279 PolarHBondContact NH2-O 2.94Å; D279-Y283 CarbonylContact C-O 3.37Å; D279-Y283 VanDerWaalsContact CA-O 3.32Å; D279-Y283 WeakPolarHBondContact CA-O 3.42Å; D279-R284 WeakPolarHBondContact OD1-CA 3.38Å; D279-R284 VanDerWaalsContact OD1-CB 3.27Å; D279-R284 WeakPolarHBondContact OD1-CB 3.32Å; D279-R284 IonicContact OD1-CZ 2.68Å; D279-R284 IonicContact OD1-NE 2.65Å; D279-R284 PolarHBondContact OD1-NE 3.48Å; D279-R284 IonicContact OD1-NH2 3.17Å; D279-R284 IonicContact OD2-CZ 3.04Å; D279-R284 IonicContact OD2-NE 3.41Å; D279-R284 IonicContact OD2-NH2 2.83Å; D279-R284 PolarHBondContact OD2-NH2 3.09Å; D279-S293 WeakPolarHBondContact OD1-CB 3.42Å
280	F	78.4	Confident	77.5	Confident	11 Å²	11	50.9 Å²	50.9	5%	0.048	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	129.5	-180	-173.8	-105	0	0	0	109.9	V44 T232 D237 L239 G282 Y283 I285	V44-F280 HydrophobicContact CG2-CD2 4.4Å; T232-F280 HydrophobicContact CG2-CE1 4.47Å; D237-F280 HydrophobicContact CB-CE2 3.84Å; D237-F280 HydrophobicContact CB-CZ 4.36Å; L239-F280 HydrophobicContact CB-CD1 4.46Å; L239-F280 HydrophobicContact CB-CD2 4.08Å; L239-F280 HydrophobicContact CB-CE1 4.06Å; L239-F280 HydrophobicContact CB-CE2 3.64Å; L239-F280 HydrophobicContact CB-CG 4.47Å; L239-F280 HydrophobicContact CB-CZ 3.64Å; L239-F280 HydrophobicContact CD2-CD1 3.98Å; L239-F280 HydrophobicContact CD2-CE1 4.12Å; L239-F280 HydrophobicContact CD2-CG 4.28Å; F280-G282 PolarHBondContact O-N 3.14Å; F280-Y283 PolarHBondContact N-O 3.07Å; F280-Y283 PolarHBondContact O-N 3.23Å; F280-Y283 VanDerWaalsContact O-O 3.06Å; F280-I285 HydrophobicContact CB-CD1 3.94Å; F280-I285 HydrophobicContact CD1-CD1 4.3Å; F280-I285 HydrophobicContact CG-CD1 4.49Å
281	L	75.3	Confident	77.3	Confident	59 Å²	59	49.1 Å²	49.1	31%	0.309	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	27.4	-175.7	-53.7	-179.2	0	0	0	115.1	Y234 R296	Y234-L281 HydrophobicContact CD1-CD1 4.02Å; Y234-L281 HydrophobicContact CD1-CD2 3.28Å; Y234-L281 HydrophobicContact CD1-CG 4.3Å; Y234-L281 HydrophobicContact CD2-CD1 4.06Å; Y234-L281 HydrophobicContact CE1-CD2 3.92Å; Y234-L281 HydrophobicContact CG-CD1 3.69Å; Y234-L281 HydrophobicContact CG-CD2 3.77Å; Y234-L281 HydrophobicContact CG-CG 4.39Å; L281-R296 PolarHBondContact O-NH2 2.64Å
282	G	69.2	Low	76.7	Confident	15 Å²	15	51.1 Å²	51.1	16%	0.155	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	21.5	-177.1	0	0	0	0	0	114.7	F280 S293 R296	F280-G282 PolarHBondContact O-N 3.14Å; G282-S293 PolarHBondContact O-N 3.12Å; G282-S293 PolarHBondContact O-OG 3.17Å; G282-S293 VanDerWaalsContact O-OG 3.1Å; G282-R296 PolarHBondContact O-NE 2.9Å
283	Y	77.1	Confident	76.2	Confident	63 Å²	63	48 Å²	48	25%	0.247	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	141.5	165.6	-60.7	-83.1	0	0	0	109.1	D279 F280 I290 H291 R296 R321	D279-Y283 CarbonylContact C-O 3.37Å; D279-Y283 VanDerWaalsContact CA-O 3.32Å; D279-Y283 WeakPolarHBondContact CA-O 3.42Å; F280-Y283 PolarHBondContact N-O 3.07Å; F280-Y283 PolarHBondContact O-N 3.23Å; F280-Y283 VanDerWaalsContact O-O 3.06Å; Y283-I290 HydrophobicContact CD1-CG2 4.36Å; Y283-I290 HydrophobicContact CG-CG2 4.18Å; Y283-H291 CarbonylContact C-O 3.48Å; Y283-H291 WeakPolarHBondContact CA-O 3.43Å; Y283-H291 VanDerWaalsContact CB-O 3.3Å; Y283-H291 WeakPolarHBondContact CB-O 3.36Å; Y283-R296 PolarHBondContact OH-NH1 3.39Å; Y283-R321 PolarHBondContact OH-O 3.15Å
284	R	79.3	Confident	75.9	Confident	81 Å²	81	52.4 Å²	52.4	31%	0.306	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	125.9	168.1	-175.4	154.9	-72.5	-144.1	-4.5	109.2	V278 D279 I290 H291	V278-R284 WeakPolarHBondContact O-CA 3.4Å; D279-R284 WeakPolarHBondContact OD1-CA 3.38Å; D279-R284 VanDerWaalsContact OD1-CB 3.27Å; D279-R284 WeakPolarHBondContact OD1-CB 3.32Å; D279-R284 IonicContact OD1-CZ 2.68Å; D279-R284 IonicContact OD1-NE 2.65Å; D279-R284 PolarHBondContact OD1-NE 3.48Å; D279-R284 IonicContact OD1-NH2 3.17Å; D279-R284 IonicContact OD2-CZ 3.04Å; D279-R284 IonicContact OD2-NE 3.41Å; D279-R284 IonicContact OD2-NH2 2.83Å; D279-R284 PolarHBondContact OD2-NH2 3.09Å; R284-I290 CarbonylContact O-C 3.57Å; R284-I290 WeakPolarHBondContact O-CA 3.49Å; R284-H291 HydrophobicContact CB-CB 4.45Å; R284-H291 PolarHBondContact N-O 2.92Å; R284-H291 PolarHBondContact O-N 3.03Å
285	I	81	Confident	75.8	Confident	45 Å²	45	54.6 Å²	54.6	23%	0.231	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	126	174.1	-52.5	178.3	0	0	0	106.8	L239 S277 V278 F280 G289 I290	L239-I285 HydrophobicContact CD2-CD1 3.85Å; S277-I285 CarbonylContact C-O 3.41Å; S277-I285 VanDerWaalsContact CA-O 3.25Å; S277-I285 WeakPolarHBondContact CA-O 3.24Å; V278-I285 HydrophobicContact CG1-CB 4.33Å; V278-I285 PolarHBondContact N-O 3.19Å; V278-I285 PolarHBondContact O-N 3.16Å; F280-I285 HydrophobicContact CB-CD1 3.94Å; F280-I285 HydrophobicContact CD1-CD1 4.3Å; F280-I285 HydrophobicContact CG-CD1 4.49Å; I285-G289 WeakPolarHBondContact CA-O 3.44Å; I285-I290 HydrophobicContact CG1-CG1 4.38Å; I285-I290 HydrophobicContact CG2-CG1 4.48Å
286	D	77.9	Confident	75.2	Confident	43 Å²	43	54.6 Å²	54.6	23%	0.23	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	-178.8	176.4	61	56.9	0	0	0	111.2	S288 G289 H291	D286-S288 PolarHBondContact O-N 3.13Å; D286-S288 VanDerWaalsContact O-N 3.09Å; D286-S288 WeakPolarHBondContact OD1-CA 3.48Å; D286-S288 WeakPolarHBondContact OD1-CB 3.29Å; D286-S288 PolarHBondContact OD1-N 3.38Å; D286-S288 PolarHBondContact OD1-OG 3.17Å; D286-G289 PolarHBondContact N-O 3.12Å; D286-G289 PolarHBondContact O-N 3.25Å; D286-G289 PolarHBondContact OD1-N 3.28Å; D286-H291 IonicContact OD1-CD2 3.66Å; D286-H291 IonicContact OD1-NE2 3.91Å; D286-H291 IonicContact OD2-CD2 3.68Å; D286-H291 PolarHBondContact OD2-CD2 3.29Å; D286-H291 IonicContact OD2-NE2 2.74Å
287	A	71.7	Confident	75	Confident	90 Å²	90	54.5 Å²	54.5	74%	0.744	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-19.7	-178.7	0	0	0	0	0	114.7	A49	A49-A287 HydrophobicContact CB-CB 4.06Å
288	S	67.6	Low	74.7	Confident	93 Å²	93	57.6 Å²	57.6	65%	0.65	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-5.9	176	72.2	0	0	0	0	113.8	D286 H291	D286-S288 PolarHBondContact O-N 3.13Å; D286-S288 VanDerWaalsContact O-N 3.09Å; D286-S288 WeakPolarHBondContact OD1-CA 3.48Å; D286-S288 WeakPolarHBondContact OD1-CB 3.29Å; D286-S288 PolarHBondContact OD1-N 3.38Å; D286-S288 PolarHBondContact OD1-OG 3.17Å; S288-H291 PolarHBondContact OG-NE2 3.22Å
289	G	71.9	Confident	74	Confident	30 Å²	30	58.9 Å²	58.9	31%	0.309	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	133.3	-140.9	170.7	0	0	0	0	0	114.5	I285 D286	I285-G289 WeakPolarHBondContact CA-O 3.44Å; D286-G289 PolarHBondContact N-O 3.12Å; D286-G289 PolarHBondContact O-N 3.25Å; D286-G289 PolarHBondContact OD1-N 3.28Å
290	I	77.2	Confident	73.4	Confident	76 Å²	76	57.5 Å²	57.5	39%	0.39	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	113.6	-178.4	-55.3	174	0	0	0	108.9	Y283 R284 I285	Y283-I290 HydrophobicContact CD1-CG2 4.36Å; Y283-I290 HydrophobicContact CG-CG2 4.18Å; R284-I290 CarbonylContact O-C 3.57Å; R284-I290 WeakPolarHBondContact O-CA 3.49Å; I285-I290 HydrophobicContact CG1-CG1 4.38Å; I285-I290 HydrophobicContact CG2-CG1 4.48Å
291	H	75.8	Confident	73.1	Confident	71 Å²	71	65.2 Å²	65.2	33%	0.329	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	160.7	-175.5	-50.7	-69.3	0	0	0	110.9	Y283 R284 D286 S288	Y283-H291 CarbonylContact C-O 3.48Å; Y283-H291 WeakPolarHBondContact CA-O 3.43Å; Y283-H291 VanDerWaalsContact CB-O 3.3Å; Y283-H291 WeakPolarHBondContact CB-O 3.36Å; R284-H291 HydrophobicContact CB-CB 4.45Å; R284-H291 PolarHBondContact N-O 2.92Å; R284-H291 PolarHBondContact O-N 3.03Å; D286-H291 IonicContact OD1-CD2 3.66Å; D286-H291 IonicContact OD1-NE2 3.91Å; D286-H291 IonicContact OD2-CD2 3.68Å; D286-H291 PolarHBondContact OD2-CD2 3.29Å; D286-H291 IonicContact OD2-NE2 2.74Å; S288-H291 PolarHBondContact OG-NE2 3.22Å
292	P	72.1	Confident	73	Confident	54 Å²	54	65.5 Å²	65.5	35%	0.351	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	138	165.7	-23.7	36	0	0	0	111.5	M297 L322	P292-M297 HydrophobicContact CB-CG 3.86Å; P292-M297 HydrophobicContact CB-SD 3.65Å; P292-M297 HydrophobicContact CG-SD 4.08Å; P292-L322 HydrophobicContact CB-CD2 3.63Å; P292-L322 HydrophobicContact CG-CD2 3.66Å
293	S	73.3	Confident	73	Confident	0 Å²	0	66 Å²	66	0%	0	36%	0.364	C	S	.	.			trans	-67.6	150	172.8	66.6	0	0	0	0	110.9	D279 G282 S295 R296 M297	D279-S293 WeakPolarHBondContact OD1-CB 3.42Å; G282-S293 PolarHBondContact O-N 3.12Å; G282-S293 PolarHBondContact O-OG 3.17Å; G282-S293 VanDerWaalsContact O-OG 3.1Å; S293-S295 VanDerWaalsContact C-N 3.29Å; S293-S295 PolarHBondContact O-N 3.43Å; S293-S295 PolarHBondContact OG-OG 3.3Å; S293-S295 VanDerWaalsContact OG-OG 3.06Å; S293-R296 WeakPolarHBondContact O-CB 3.27Å; S293-R296 PolarHBondContact O-N 3.23Å; S293-R296 WeakPolarHBondContact OG-CB 2.95Å; S293-R296 PolarHBondContact OG-N 3.35Å; S293-M297 PolarHBondContact O-N 2.78Å; S293-M297 VanDerWaalsContact O-N 3.12Å
294	K	77.3	Confident	72.7	Confident	140 Å²	140	67.4 Å²	67.4	61%	0.609	38%	0.38	S	S	*	.	H	α-helix	trans	-52.2	-47.7	177.6	-70.1	-170.5	176.1	-172	0	111.9	R296 M297 E298	K294-R296 VanDerWaalsContact C-N 3.28Å; K294-R296 PolarHBondContact O-N 2.72Å; K294-M297 WeakPolarHBondContact O-CA 3.46Å; K294-M297 WeakPolarHBondContact O-CB 3.37Å; K294-M297 PolarHBondContact O-N 3.25Å; K294-E298 WeakPolarHBondContact O-CB 3.44Å; K294-E298 WeakPolarHBondContact O-CG 3.47Å; K294-E298 PolarHBondContact O-N 3.38Å
295	S	71.1	Confident	72.2	Confident	57 Å²	57	67.4 Å²	67.4	40%	0.399	39%	0.389	S	S	.	.	H	α-helix	trans	-56.4	-35.8	176.3	57.1	0	0	0	0	114.3	S293 A299	S293-S295 VanDerWaalsContact C-N 3.29Å; S293-S295 PolarHBondContact O-N 3.43Å; S293-S295 PolarHBondContact OG-OG 3.3Å; S293-S295 VanDerWaalsContact OG-OG 3.06Å; S295-A299 VanDerWaalsContact O-CB 3.22Å; S295-A299 WeakPolarHBondContact O-CB 3.48Å; S295-A299 PolarHBondContact O-N 3.06Å
296	R	66.2	Low	71.8	Confident	37 Å²	37	67 Å²	67	14%	0.14	39%	0.389	C	S	.	.	H	α-helix	trans	-73.3	-36.7	177.4	-172.9	-174.1	-75	-133.3	5.1	111	L281 G282 Y283 S293 K294 I300 L322	L281-R296 PolarHBondContact O-NH2 2.64Å; G282-R296 PolarHBondContact O-NE 2.9Å; Y283-R296 PolarHBondContact OH-NH1 3.39Å; S293-R296 WeakPolarHBondContact O-CB 3.27Å; S293-R296 PolarHBondContact O-N 3.23Å; S293-R296 WeakPolarHBondContact OG-CB 2.95Å; S293-R296 PolarHBondContact OG-N 3.35Å; K294-R296 VanDerWaalsContact C-N 3.28Å; K294-R296 PolarHBondContact O-N 2.72Å; R296-I300 WeakPolarHBondContact O-CD1 3.42Å; R296-I300 WeakPolarHBondContact O-CG1 3.38Å; R296-L322 HydrophobicContact CG-CD2 4.25Å
297	M	71.2	Confident	71.3	Confident	81 Å²	81	71.2 Å²	71.2	40%	0.399	41%	0.408	S	S	.	.	H	α-helix	trans	-68.6	-44.1	174	-63.8	-63.7	-69.5	0	0	111.4	P292 S293 K294 I300 K301	P292-M297 HydrophobicContact CB-CG 3.86Å; P292-M297 HydrophobicContact CB-SD 3.65Å; P292-M297 HydrophobicContact CG-SD 4.08Å; S293-M297 PolarHBondContact O-N 2.78Å; S293-M297 VanDerWaalsContact O-N 3.12Å; K294-M297 WeakPolarHBondContact O-CA 3.46Å; K294-M297 WeakPolarHBondContact O-CB 3.37Å; K294-M297 PolarHBondContact O-N 3.25Å; M297-I300 PolarHBondContact O-N 3.05Å; M297-I300 VanDerWaalsContact O-N 3.16Å; M297-K301 WeakPolarHBondContact O-CG 3.26Å; M297-K301 PolarHBondContact O-N 2.75Å
298	E	73.2	Confident	70.9	Confident	109 Å²	109	70.2 Å²	70.2	51%	0.509	39%	0.39	S	S	.	.	H	α-helix	trans	-63.1	-43.1	177.3	-73.1	154.9	-164.1	0	0	112.2	K294 I300 K301 S302	K294-E298 WeakPolarHBondContact O-CB 3.44Å; K294-E298 WeakPolarHBondContact O-CG 3.47Å; K294-E298 PolarHBondContact O-N 3.38Å; E298-I300 PolarHBondContact O-N 3.32Å; E298-K301 PolarHBondContact O-N 2.97Å; E298-S302 VanDerWaalsContact O-CB 3.29Å; E298-S302 WeakPolarHBondContact O-CB 3.32Å; E298-S302 PolarHBondContact O-N 3.23Å; E298-S302 PolarHBondContact O-OG 2.89Å
299	A	67.1	Low	70.4	Confident	34 Å²	34	70.6 Å²	70.6	28%	0.281	38%	0.38	S	S	.	.	H	α-helix	trans	-64.3	-6.4	175.6	0	0	0	0	0	114.5	S295	S295-A299 VanDerWaalsContact O-CB 3.22Å; S295-A299 WeakPolarHBondContact O-CB 3.48Å; S295-A299 PolarHBondContact O-N 3.06Å
300	I	68.1	Low	69.7	Low	18 Å²	18	75 Å²	75	9%	0.092	39%	0.392	C	S	.	.	H	α-helix	trans	-110.6	-43.9	179.4	-75.5	171.9	0	0	0	110.6	R296 M297 E298 S302 A303 Y319 L322	R296-I300 WeakPolarHBondContact O-CD1 3.42Å; R296-I300 WeakPolarHBondContact O-CG1 3.38Å; M297-I300 PolarHBondContact O-N 3.05Å; M297-I300 VanDerWaalsContact O-N 3.16Å; E298-I300 PolarHBondContact O-N 3.32Å; I300-S302 PolarHBondContact O-N 3.37Å; I300-A303 VanDerWaalsContact O-CB 3.29Å; I300-A303 WeakPolarHBondContact O-CB 3.43Å; I300-A303 PolarHBondContact O-N 3.01Å; I300-A303 VanDerWaalsContact O-N 3.13Å; I300-Y319 HydrophobicContact CG2-CE1 3.99Å; I300-Y319 HydrophobicContact CG2-CE2 3.65Å; I300-Y319 WeakPolarHBondContact CG2-OH 3.49Å; I300-L322 HydrophobicContact CD1-CD1 3.26Å; I300-L322 HydrophobicContact CD1-CG 4.46Å
301	K	71.1	Confident	69.1	Low	174 Å²	174	74.3 Å²	74.3	76%	0.757	39%	0.387	S	S	*	.	H	α-helix	trans	-59.4	-30.3	168	-70.3	-175.5	174	-165.1	0	113.3	M297 E298	M297-K301 WeakPolarHBondContact O-CG 3.26Å; M297-K301 PolarHBondContact O-N 2.75Å; E298-K301 PolarHBondContact O-N 2.97Å
302	S	74.4	Confident	68.7	Low	64 Å²	64	74 Å²	74	45%	0.448	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	9.7	177.5	65.2	0	0	0	0	114.1	E298 I300	E298-S302 VanDerWaalsContact O-CB 3.29Å; E298-S302 WeakPolarHBondContact O-CB 3.32Å; E298-S302 PolarHBondContact O-N 3.23Å; E298-S302 PolarHBondContact O-OG 2.89Å; I300-S302 PolarHBondContact O-N 3.37Å
303	A	69.5	Low	68	Low	26 Å²	26	75.8 Å²	75.8	22%	0.215	39%	0.392	C	S	.	.	S	Bend	trans	-72	132.4	172.4	0	0	0	0	0	109.4	I300 L315	I300-A303 VanDerWaalsContact O-CB 3.29Å; I300-A303 WeakPolarHBondContact O-CB 3.43Å; I300-A303 PolarHBondContact O-N 3.01Å; I300-A303 VanDerWaalsContact O-N 3.13Å; A303-L315 HydrophobicContact CB-CD1 3.99Å
304	P	70	Confident	67.4	Low	93 Å²	93	77.3 Å²	77.3	60%	0.604	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-64.1	150	175.5	28.4	-34.5	0	0	0	110.6
305	V	68.7	Low	66.8	Low	80 Å²	80	72.1 Å²	72.1	49%	0.485	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-61.5	122	174.1	-179	0	0	0	0	108.5	Q307 F344	V305-Q307 PolarHBondContact O-N 3.16Å; V305-Q307 PolarHBondContact O-NE2 2.89Å; V305-F344 HydrophobicContact CB-CE2 4.44Å; V305-F344 HydrophobicContact CB-CZ 4.25Å; V305-F344 HydrophobicContact CG1-CE2 3.91Å; V305-F344 HydrophobicContact CG1-CZ 3.92Å; V305-F344 HydrophobicContact CG2-CE2 4.33Å; V305-F344 HydrophobicContact CG2-CZ 4.48Å
306	P	73.4	Confident	66.3	Low	37 Å²	37	73 Å²	73	24%	0.24	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-67	121.3	-170.1	25.6	-34.4	0	0	0	111.7	E311 L312 L315	P306-E311 WeakPolarHBondContact CA-OE2 3.31Å; P306-E311 HydrophobicContact CB-CB 3.59Å; P306-L312 HydrophobicContact CB-CB 4.2Å; P306-L312 HydrophobicContact CG-CB 4.34Å; P306-L312 HydrophobicContact CG-CD1 3.95Å; P306-L315 HydrophobicContact CG-CD2 4.03Å
307	Q	66	Low	65.9	Low	132 Å²	132	74.2 Å²	74.2	62%	0.617	39%	0.385	S	S	*	.			trans	-85.2	-15.2	-177.7	-60.4	-57.6	-58.9	0	0	112.8	V305 E311	V305-Q307 PolarHBondContact O-N 3.16Å; V305-Q307 PolarHBondContact O-NE2 2.89Å; Q307-E311 PolarHBondContact N-OE2 3.24Å
308	N	63.5	Low	65.2	Low	68 Å²	68	75.2 Å²	75.2	36%	0.364	39%	0.385	S	S	.	.	S	Bend	trans	-145.2	169.1	-178.6	63.8	64.8	0	0	0	113.3	Q310 E311 L312	N308-Q310 PolarHBondContact O-N 3.15Å; N308-Q310 WeakPolarHBondContact OD1-CA 3.13Å; N308-Q310 WeakPolarHBondContact OD1-CB 3.23Å; N308-Q310 PolarHBondContact OD1-N 3.46Å; N308-E311 PolarHBondContact ND2-OE1 3.02Å; N308-E311 PolarHBondContact O-N 2.92Å; N308-E311 PolarHBondContact OD1-N 2.88Å; N308-L312 PolarHBondContact O-N 3.19Å
309	K	57.7	Low	64.4	Low	101 Å²	101	71.7 Å²	71.7	44%	0.439	37%	0.367	S	S	.	.	H	α-helix	trans	-55.9	-33.1	179.6	169.7	175.3	163.7	171.3	0	113.8	Q313 Y357	K309-Q313 VanDerWaalsContact O-CG 3.26Å; K309-Q313 WeakPolarHBondContact O-CG 3.22Å; K309-Q313 PolarHBondContact O-N 3.07Å; K309-Q313 VanDerWaalsContact O-N 3.16Å; K309-Y357 HydrophobicContact CD-CE1 4.44Å; K309-Y357 HydrophobicContact CD-CE2 3.98Å; K309-Y357 WeakPolarHBondContact CE-OH 3.33Å; K309-Y357 PolarHBondContact NZ-OH 3.31Å
310	Q	57	Low	63.5	Low	123 Å²	123	72.7 Å²	72.7	58%	0.575	37%	0.372	S	S	*	.	H	α-helix	trans	-73	-50.1	-178.8	-59.3	-179.3	6	0	0	109.6	N308 L312 Q313 V314	N308-Q310 PolarHBondContact O-N 3.15Å; N308-Q310 WeakPolarHBondContact OD1-CA 3.13Å; N308-Q310 WeakPolarHBondContact OD1-CB 3.23Å; N308-Q310 PolarHBondContact OD1-N 3.46Å; Q310-L312 VanDerWaalsContact C-N 3.3Å; Q310-L312 PolarHBondContact O-N 2.62Å; Q310-Q313 WeakPolarHBondContact O-CB 3.36Å; Q310-Q313 PolarHBondContact O-N 3.38Å; Q310-Q313 VanDerWaalsContact O-N 3.12Å; Q310-V314 WeakPolarHBondContact O-CG2 3.39Å; Q310-V314 PolarHBondContact O-N 3.2Å
311	E	64.7	Low	62.5	Low	61 Å²	61	75.7 Å²	75.7	29%	0.285	38%	0.382	S	S	.	.	H	α-helix	trans	-57.8	-39.8	175.1	-71.3	163.1	-150.2	0	0	112.6	P306 Q307 N308 V314 L315	P306-E311 WeakPolarHBondContact CA-OE2 3.31Å; P306-E311 HydrophobicContact CB-CB 3.59Å; Q307-E311 PolarHBondContact N-OE2 3.24Å; N308-E311 PolarHBondContact ND2-OE1 3.02Å; N308-E311 PolarHBondContact O-N 2.92Å; N308-E311 PolarHBondContact OD1-N 2.88Å; E311-V314 WeakPolarHBondContact O-CB 3.5Å; E311-V314 PolarHBondContact O-N 3Å; E311-L315 PolarHBondContact O-N 3.43Å
312	L	67.8	Low	61.4	Low	64 Å²	64	69 Å²	69	34%	0.335	36%	0.355	S	S	.	.	H	α-helix	trans	-63.2	-43.3	175.2	-176.5	63.9	0	0	0	111.9	P306 N308 Q310 V314 L315 E316	P306-L312 HydrophobicContact CB-CB 4.2Å; P306-L312 HydrophobicContact CG-CB 4.34Å; P306-L312 HydrophobicContact CG-CD1 3.95Å; N308-L312 PolarHBondContact O-N 3.19Å; Q310-L312 VanDerWaalsContact C-N 3.3Å; Q310-L312 PolarHBondContact O-N 2.62Å; L312-V314 VanDerWaalsContact C-N 3.29Å; L312-V314 PolarHBondContact O-N 3.27Å; L312-L315 PolarHBondContact O-N 3.37Å; L312-E316 WeakPolarHBondContact O-CG 3.49Å; L312-E316 PolarHBondContact O-N 3.01Å
313	Q	57.5	Low	60	Low	93 Å²	93	67.5 Å²	67.5	44%	0.435	35%	0.346	S	S	.	.	H	α-helix	trans	-63.3	-34.9	174.6	-74.3	174.5	-23.2	0	0	112.2	K309 Q310 M317	K309-Q313 VanDerWaalsContact O-CG 3.26Å; K309-Q313 WeakPolarHBondContact O-CG 3.22Å; K309-Q313 PolarHBondContact O-N 3.07Å; K309-Q313 VanDerWaalsContact O-N 3.16Å; Q310-Q313 WeakPolarHBondContact O-CB 3.36Å; Q310-Q313 PolarHBondContact O-N 3.38Å; Q310-Q313 VanDerWaalsContact O-N 3.12Å; Q313-M317 WeakPolarHBondContact O-CB 3.34Å; Q313-M317 PolarHBondContact O-N 2.82Å
314	V	59.8	Low	58.6	Low	32 Å²	32	74.9 Å²	74.9	19%	0.194	37%	0.368	C	S	.	.	H	α-helix	trans	-62.8	-46.9	172.4	169.8	0	0	0	0	111.1	Q310 E311 L312 M317 R318 M382	Q310-V314 WeakPolarHBondContact O-CG2 3.39Å; Q310-V314 PolarHBondContact O-N 3.2Å; E311-V314 WeakPolarHBondContact O-CB 3.5Å; E311-V314 PolarHBondContact O-N 3Å; L312-V314 VanDerWaalsContact C-N 3.29Å; L312-V314 PolarHBondContact O-N 3.27Å; V314-M317 PolarHBondContact O-N 2.92Å; V314-R318 WeakPolarHBondContact O-CG 3.42Å; V314-R318 PolarHBondContact O-N 3.22Å; V314-M382 HydrophobicContact CB-CE 4.13Å; V314-M382 HydrophobicContact CB-SD 4.29Å; V314-M382 HydrophobicContact CG1-CE 3.55Å; V314-M382 HydrophobicContact CG1-SD 4.17Å; V314-M382 HydrophobicContact CG2-CE 3.77Å; V314-M382 HydrophobicContact CG2-SD 3.3Å; V314-M382 WeakPolarHBondContact CG2-SD 3.03Å
315	L	65.7	Low	56.9	Low	30 Å²	30	75.4 Å²	75.4	16%	0.157	36%	0.358	C	S	.	.	H	α-helix	trans	-63.9	-49.5	179.2	-162.9	65.2	0	0	0	110.8	A303 P306 E311 L312 M317 R318 Y319	A303-L315 HydrophobicContact CB-CD1 3.99Å; P306-L315 HydrophobicContact CG-CD2 4.03Å; E311-L315 PolarHBondContact O-N 3.43Å; L312-L315 PolarHBondContact O-N 3.37Å; L315-M317 VanDerWaalsContact C-N 3.25Å; L315-M317 PolarHBondContact O-N 3.26Å; L315-R318 PolarHBondContact O-N 3.28Å; L315-Y319 HydrophobicContact CD1-CD2 4.15Å; L315-Y319 HydrophobicContact CD1-CE2 3.78Å; L315-Y319 HydrophobicContact CD2-CE2 4.49Å; L315-Y319 HydrophobicContact CG-CD2 3.96Å; L315-Y319 HydrophobicContact CG-CE2 3.86Å; L315-Y319 WeakPolarHBondContact O-CD2 3.39Å; L315-Y319 PolarHBondContact O-N 3.17Å
316	E	59.7	Low	55.3	Low	77 Å²	77	77.1 Å²	77.1	36%	0.36	37%	0.371	S	S	.	.	H	α-helix	trans	-52.8	-41.3	174.4	-76.7	-170.1	155.4	0	0	112.5	L312 S320	L312-E316 WeakPolarHBondContact O-CG 3.49Å; L312-E316 PolarHBondContact O-N 3.01Å; E316-S320 WeakPolarHBondContact O-CB 3.14Å; E316-S320 PolarHBondContact O-N 3.28Å
317	M	57.8	Low	53.5	Low	62 Å²	62	76.5 Å²	76.5	31%	0.305	37%	0.367	S	S	.	.	H	α-helix	trans	-72.6	-30	179.3	-159.9	-139.7	-58.5	0	0	113.2	Q313 V314 L315 S320 M382 I393	Q313-M317 WeakPolarHBondContact O-CB 3.34Å; Q313-M317 PolarHBondContact O-N 2.82Å; V314-M317 PolarHBondContact O-N 2.92Å; L315-M317 VanDerWaalsContact C-N 3.25Å; L315-M317 PolarHBondContact O-N 3.26Å; M317-S320 PolarHBondContact O-OG 2.83Å; M317-M382 HydrophobicContact CE-CE 4.31Å; M317-I393 HydrophobicContact SD-CD1 3.75Å
318	R	56.3	Low	52	Low	101 Å²	101	72.1 Å²	72.1	38%	0.381	35%	0.354	S	S	.	.	H	α-helix	trans	-69.4	-48	172.5	-70.5	178	-171.1	-168.2	9.8	110.7	V314 L315 S320 R321	V314-R318 WeakPolarHBondContact O-CG 3.42Å; V314-R318 PolarHBondContact O-N 3.22Å; L315-R318 PolarHBondContact O-N 3.28Å; R318-S320 PolarHBondContact O-N 3.45Å; R318-R321 PolarHBondContact O-N 3.14Å
319	Y	57.3	Low	50.6	Low	35 Å²	35	73.2 Å²	73.2	14%	0.137	36%	0.355	C	S	.	.	H	α-helix	trans	-64.3	-37.2	179.6	-87.7	-86.7	0	0	0	113.4	I300 L315 R321 L322 A323 W332	I300-Y319 HydrophobicContact CG2-CE1 3.99Å; I300-Y319 HydrophobicContact CG2-CE2 3.65Å; I300-Y319 WeakPolarHBondContact CG2-OH 3.49Å; L315-Y319 HydrophobicContact CD1-CD2 4.15Å; L315-Y319 HydrophobicContact CD1-CE2 3.78Å; L315-Y319 HydrophobicContact CD2-CE2 4.49Å; L315-Y319 HydrophobicContact CG-CD2 3.96Å; L315-Y319 HydrophobicContact CG-CE2 3.86Å; L315-Y319 WeakPolarHBondContact O-CD2 3.39Å; L315-Y319 PolarHBondContact O-N 3.17Å; Y319-R321 PolarHBondContact O-N 3.27Å; Y319-L322 PolarHBondContact O-N 3.3Å; Y319-A323 PolarHBondContact O-N 2.98Å; Y319-W332 HydrophobicContact CE1-CD2 4.27Å; Y319-W332 AromaticContact CE1-CE3 3.67Å; Y319-W332 HydrophobicContact CE1-CE3 3.67Å; Y319-W332 HydrophobicContact CE1-CH2 4.32Å; Y319-W332 AromaticContact CE1-CZ3 3.74Å; Y319-W332 HydrophobicContact CE1-CZ3 3.74Å; Y319-W332 HydrophobicContact CE2-CZ3 4.5Å; Y319-W332 AromaticContact CZ-CE3 3.9Å; Y319-W332 AromaticContact CZ-CH2 3.99Å; Y319-W332 AromaticContact CZ-CZ3 3.47Å; Y319-W332 VanDerWaalsContact CZ-CZ3 3.47Å; Y319-W332 WeakPolarHBondContact OH-CH2 3.3Å; Y319-W332 WeakPolarHBondContact OH-CZ3 3.43Å
320	S	47.9	Very low	49.5	Very low	56 Å²	56	75 Å²	75	39%	0.392	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-20.4	-179.6	69.8	0	0	0	0	114.3	E316 M317 R318	E316-S320 WeakPolarHBondContact O-CB 3.14Å; E316-S320 PolarHBondContact O-N 3.28Å; M317-S320 PolarHBondContact O-OG 2.83Å; R318-S320 PolarHBondContact O-N 3.45Å
321	R	46.2	Very low	48.4	Very low	80 Å²	80	71.2 Å²	71.2	30%	0.302	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-14.2	176.4	-62.9	-177.8	-178.4	-136.7	-4.5	114.3	Y283 R318 Y319 P391 I393	Y283-R321 PolarHBondContact OH-O 3.15Å; R318-R321 PolarHBondContact O-N 3.14Å; Y319-R321 PolarHBondContact O-N 3.27Å; R321-P391 PolarHBondContact NH1-O 3.48Å; R321-P391 PolarHBondContact NH2-O 2.91Å; R321-I393 VanDerWaalsContact NH2-CD1 3.28Å
322	L	49.2	Very low	46.9	Very low	35 Å²	35	73.2 Å²	73.2	18%	0.183	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-38.6	175.6	-74.1	162.3	0	0	0	111.6	P292 R296 I300 Y319 R324	P292-L322 HydrophobicContact CB-CD2 3.63Å; P292-L322 HydrophobicContact CG-CD2 3.66Å; R296-L322 HydrophobicContact CG-CD2 4.25Å; I300-L322 HydrophobicContact CD1-CD1 3.26Å; I300-L322 HydrophobicContact CD1-CG 4.46Å; Y319-L322 PolarHBondContact O-N 3.3Å; L322-R324 VanDerWaalsContact C-N 3.35Å; L322-R324 PolarHBondContact O-N 3Å
323	A	44.9	Very low	45.4	Very low	31 Å²	31	73.4 Å²	73.4	26%	0.256	35%	0.351	S	S	.	.			trans	-70.5	85.9	179.4	0	0	0	0	0	111.2	Y319 R325	Y319-A323 PolarHBondContact O-N 2.98Å; A323-R325 PolarHBondContact O-N 3.41Å
324	R	39.9	Very low	44.5	Very low	182 Å²	182	72.6 Å²	72.6	69%	0.687	35%	0.349	S	S	*	.	S	Bend	trans	-59.9	-5.3	165.3	-80.8	-175.4	170.5	173.2	-3.1	113.4	L322	L322-R324 VanDerWaalsContact C-N 3.35Å; L322-R324 PolarHBondContact O-N 3Å
325	R	35.1	Very low	43.6	Very low	104 Å²	104	74.7 Å²	74.7	39%	0.392	36%	0.359	S	S	.	.	S	Bend	trans	-135.5	133.3	175.9	-67.9	-176.3	172.1	-151.3	-8	110	A323 S327 A328	A323-R325 PolarHBondContact O-N 3.41Å; R325-S327 PolarHBondContact O-N 3.12Å; R325-A328 PolarHBondContact O-N 3.26Å
326	P	34.6	Very low	42.1	Very low	115 Å²	115	78.4 Å²	78.4	75%	0.747	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-29.5	173	-26.8	35.5	0	0	0	114.2	K329	P326-K329 WeakPolarHBondContact O-CB 3.3Å; P326-K329 PolarHBondContact O-N 3.22Å
327	S	35.2	Very low	40.9	Very low	24 Å²	24	76.7 Å²	76.7	17%	0.168	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-41.7	-178.6	62.5	0	0	0	0	113.9	R325 K329 Q330 E331	R325-S327 PolarHBondContact O-N 3.12Å; S327-K329 PolarHBondContact O-N 3.23Å; S327-Q330 PolarHBondContact O-N 3Å; S327-E331 PolarHBondContact O-N 2.75Å
328	A	33.7	Very low	39.8	Very low	40 Å²	40	76.8 Å²	76.8	33%	0.331	38%	0.379	S	S	.	.	H	α-helix	trans	-63.7	-15.2	179	0	0	0	0	0	113.1	R325 Q330 E331	R325-A328 PolarHBondContact O-N 3.26Å; A328-Q330 VanDerWaalsContact C-N 3.33Å; A328-E331 WeakPolarHBondContact CA-OE2 3.44Å
329	K	34.3	Very low	38.6	Very low	92 Å²	92	75 Å²	75	40%	0.4	39%	0.386	S	S	.	.	H	α-helix	trans	-77.3	-17.7	175.9	-154.4	-175.7	-179.2	-170.9	0	112.9	P326 S327 F333	P326-K329 WeakPolarHBondContact O-CB 3.3Å; P326-K329 PolarHBondContact O-N 3.22Å; S327-K329 PolarHBondContact O-N 3.23Å; K329-F333 WeakPolarHBondContact O-CD2 3.39Å
330	Q	35.4	Very low	37.3	Very low	139 Å²	139	75.1 Å²	75.1	65%	0.65	39%	0.394	S	S	*	.	H	α-helix	trans	-100.1	-41.9	175.6	-88.9	168	-67.7	0	0	112.1	S327 A328 W332 F333 N334	S327-Q330 PolarHBondContact O-N 3Å; A328-Q330 VanDerWaalsContact C-N 3.33Å; Q330-W332 PolarHBondContact O-N 2.88Å; Q330-F333 PolarHBondContact O-N 3.3Å; Q330-N334 PolarHBondContact O-N 3.32Å; Q330-N334 VanDerWaalsContact O-N 3.14Å; Q330-N334 PolarHBondContact O-ND2 3.17Å; Q330-N334 PolarHBondContact O-OD1 2.64Å
331	E	32.7	Very low	36.5	Very low	42 Å²	42	79.9 Å²	79.9	20%	0.196	41%	0.411	C	S	.	.	H	α-helix	trans	-54.6	-56.5	179.3	-67.7	159.6	163.2	0	0	111.2	S327 A328 F333 N334 D335 S443 W446	S327-E331 PolarHBondContact O-N 2.75Å; A328-E331 WeakPolarHBondContact CA-OE2 3.44Å; E331-F333 VanDerWaalsContact C-N 3.34Å; E331-F333 PolarHBondContact O-N 3.35Å; E331-N334 PolarHBondContact O-N 2.94Å; E331-N334 VanDerWaalsContact O-N 3.09Å; E331-D335 PolarHBondContact O-N 3Å; E331-S443 WeakPolarHBondContact OE1-CA 3.27Å; E331-S443 WeakPolarHBondContact OE1-CB 3.3Å; E331-W446 HydrophobicContact CG-CB 4.43Å
332	W	35	Very low	35.9	Very low	103 Å²	103	84.1 Å²	84.1	39%	0.39	43%	0.434	S	S	.	.	H	α-helix	trans	-69.6	-28.7	-175.3	-151	77.7	0	0	0	114	Y319 Q330 N334 E336	Y319-W332 HydrophobicContact CE1-CD2 4.27Å; Y319-W332 AromaticContact CE1-CE3 3.67Å; Y319-W332 HydrophobicContact CE1-CE3 3.67Å; Y319-W332 HydrophobicContact CE1-CH2 4.32Å; Y319-W332 AromaticContact CE1-CZ3 3.74Å; Y319-W332 HydrophobicContact CE1-CZ3 3.74Å; Y319-W332 HydrophobicContact CE2-CZ3 4.5Å; Y319-W332 AromaticContact CZ-CE3 3.9Å; Y319-W332 AromaticContact CZ-CH2 3.99Å; Y319-W332 AromaticContact CZ-CZ3 3.47Å; Y319-W332 VanDerWaalsContact CZ-CZ3 3.47Å; Y319-W332 WeakPolarHBondContact OH-CH2 3.3Å; Y319-W332 WeakPolarHBondContact OH-CZ3 3.43Å; Q330-W332 PolarHBondContact O-N 2.88Å; W332-N334 VanDerWaalsContact C-N 3.31Å; W332-E336 HydrophobicContact CH2-CG 4.08Å; W332-E336 VanDerWaalsContact CH2-OE1 3.24Å; W332-E336 WeakPolarHBondContact CH2-OE1 3.41Å; W332-E336 WeakPolarHBondContact CH2-OE2 3.29Å; W332-E336 HydrophobicContact CZ2-CG 4.23Å; W332-E336 VanDerWaalsContact CZ2-OE1 3.22Å; W332-E336 WeakPolarHBondContact CZ2-OE1 3.41Å; W332-E336 HydrophobicContact CZ3-CB 4.41Å; W332-E336 HydrophobicContact CZ3-CG 4.32Å; W332-E336 WeakPolarHBondContact CZ3-OE2 3.44Å; W332-E336 PolarHBondContact O-N 3.37Å
333	F	36	Very low	35	Very low	69 Å²	69	86 Å²	86	30%	0.303	45%	0.454	S	S	.	.	H	α-helix	trans	-74.5	-20.4	174.3	-101.8	-81.9	0	0	0	112.8	K329 Q330 E331 S337	K329-F333 WeakPolarHBondContact O-CD2 3.39Å; Q330-F333 PolarHBondContact O-N 3.3Å; E331-F333 VanDerWaalsContact C-N 3.34Å; E331-F333 PolarHBondContact O-N 3.35Å; F333-S337 WeakPolarHBondContact O-CB 3.16Å; F333-S337 PolarHBondContact O-N 2.67Å; F333-S337 PolarHBondContact O-OG 2.91Å
334	N	38.9	Very low	34.2	Very low	75 Å²	75	89.1 Å²	89.1	40%	0.401	46%	0.462	S	S	.	.	H	α-helix	trans	-80.2	-40.5	174.9	-67.3	-15.8	0	0	0	111.1	Q330 E331 W332 S338	Q330-N334 PolarHBondContact O-N 3.32Å; Q330-N334 VanDerWaalsContact O-N 3.14Å; Q330-N334 PolarHBondContact O-ND2 3.17Å; Q330-N334 PolarHBondContact O-OD1 2.64Å; E331-N334 PolarHBondContact O-N 2.94Å; E331-N334 VanDerWaalsContact O-N 3.09Å; W332-N334 VanDerWaalsContact C-N 3.31Å; N334-S338 PolarHBondContact O-N 3.42Å
335	D	39.7	Very low	33.7	Very low	76 Å²	76	88.3 Å²	88.3	41%	0.406	47%	0.471	S	S	.	.	H	α-helix	trans	-69.1	-52	-178.7	-75.2	-19.5	0	0	0	113	E331 S338	E331-D335 PolarHBondContact O-N 3Å; D335-S338 WeakPolarHBondContact O-CB 3.38Å; D335-S338 PolarHBondContact O-N 3.01Å
336	E	35.2	Very low	33.4	Very low	108 Å²	108	88.7 Å²	88.7	51%	0.505	48%	0.481	S	S	.	.	H	α-helix	trans	-79.8	-21	-179.4	-78.8	-160.6	-176.4	0	0	113.9	W332 S338 A339 A340	W332-E336 HydrophobicContact CH2-CG 4.08Å; W332-E336 VanDerWaalsContact CH2-OE1 3.24Å; W332-E336 WeakPolarHBondContact CH2-OE1 3.41Å; W332-E336 WeakPolarHBondContact CH2-OE2 3.29Å; W332-E336 HydrophobicContact CZ2-CG 4.23Å; W332-E336 VanDerWaalsContact CZ2-OE1 3.22Å; W332-E336 WeakPolarHBondContact CZ2-OE1 3.41Å; W332-E336 HydrophobicContact CZ3-CB 4.41Å; W332-E336 HydrophobicContact CZ3-CG 4.32Å; W332-E336 WeakPolarHBondContact CZ3-OE2 3.44Å; W332-E336 PolarHBondContact O-N 3.37Å; E336-S338 VanDerWaalsContact C-N 3.27Å; E336-S338 PolarHBondContact O-N 3.4Å; E336-A339 PolarHBondContact O-N 3.45Å; E336-A340 WeakPolarHBondContact O-CB 3.2Å; E336-A340 PolarHBondContact O-N 3.27Å
337	S	33.2	Very low	33.2	Very low	42 Å²	42	89.9 Å²	89.9	29%	0.294	48%	0.481	S	S	.	.	H	α-helix	trans	-67.8	-30	170.3	-60.6	0	0	0	0	111.6	F333 A340 E341	F333-S337 WeakPolarHBondContact O-CB 3.16Å; F333-S337 PolarHBondContact O-N 2.67Å; F333-S337 PolarHBondContact O-OG 2.91Å; S337-A340 PolarHBondContact O-N 3.05Å; S337-E341 WeakPolarHBondContact O-CB 3.44Å; S337-E341 WeakPolarHBondContact O-CG 3.37Å; S337-E341 PolarHBondContact O-N 2.81Å
338	S	34.3	Very low	33.1	Very low	64 Å²	64	91.5 Å²	91.5	45%	0.448	50%	0.501	S	S	.	.	H	α-helix	trans	-63.2	-47.2	173.2	-179.1	0	0	0	0	111.5	N334 D335 E336 E341 Q342	N334-S338 PolarHBondContact O-N 3.42Å; D335-S338 WeakPolarHBondContact O-CB 3.38Å; D335-S338 PolarHBondContact O-N 3.01Å; E336-S338 VanDerWaalsContact C-N 3.27Å; E336-S338 PolarHBondContact O-N 3.4Å; S338-E341 PolarHBondContact O-N 2.88Å; S338-Q342 PolarHBondContact O-N 3.43Å
339	A	31.9	Very low	33.2	Very low	63 Å²	63	97.5 Å²	97.5	52%	0.521	52%	0.522	S	S	.	.	H	α-helix	trans	-67.5	-35.4	177.3	0	0	0	0	0	112.8	E336	E336-A339 PolarHBondContact O-N 3.45Å
340	A	29.8	Very low	33.3	Very low	38 Å²	38	97.4 Å²	97.4	31%	0.314	53%	0.529	S	S	.	.	H	α-helix	trans	-75.3	-35.6	175.2	0	0	0	0	0	113	E336 S337 Q342 A343 F344	E336-A340 WeakPolarHBondContact O-CB 3.2Å; E336-A340 PolarHBondContact O-N 3.27Å; S337-A340 PolarHBondContact O-N 3.05Å; A340-Q342 PolarHBondContact O-N 3.04Å; A340-A343 PolarHBondContact O-N 3.01Å; A340-A343 VanDerWaalsContact O-N 3.1Å; A340-F344 WeakPolarHBondContact O-CD2 3.35Å; A340-F344 PolarHBondContact O-N 3.13Å
341	E	31.3	Very low	33.2	Very low	156 Å²	156	99.4 Å²	99.4	73%	0.729	53%	0.53	S	S	*	.	H	α-helix	trans	-68.2	-22.2	175.8	-78.2	-177.8	163.4	0	0	112.4	S337 S338	S337-E341 WeakPolarHBondContact O-CB 3.44Å; S337-E341 WeakPolarHBondContact O-CG 3.37Å; S337-E341 PolarHBondContact O-N 2.81Å; S338-E341 PolarHBondContact O-N 2.88Å
342	Q	33.2	Very low	33.3	Very low	169 Å²	169	107.3 Å²	107.3	79%	0.79	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-14.2	170.2	-69.8	-177.7	5.9	0	0	114.2	S338 A340	S338-Q342 PolarHBondContact O-N 3.43Å; A340-Q342 PolarHBondContact O-N 3.04Å
343	A	29.8	Very low	33.3	Very low	74 Å²	74	109.2 Å²	109.2	61%	0.612	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.9	-8.8	-175.2	0	0	0	0	0	114.7	A340	A340-A343 PolarHBondContact O-N 3.01Å; A340-A343 VanDerWaalsContact O-N 3.1Å
344	F	29.1	Very low	33.3	Very low	97 Å²	97	109 Å²	109	43%	0.425	58%	0.579	S	S	.	*			trans	-117.5	78	-174.2	-85.5	-83.8	0	0	0	113.3	V305 A340 L346	V305-F344 HydrophobicContact CB-CE2 4.44Å; V305-F344 HydrophobicContact CB-CZ 4.25Å; V305-F344 HydrophobicContact CG1-CE2 3.91Å; V305-F344 HydrophobicContact CG1-CZ 3.92Å; V305-F344 HydrophobicContact CG2-CE2 4.33Å; V305-F344 HydrophobicContact CG2-CZ 4.48Å; A340-F344 WeakPolarHBondContact O-CD2 3.35Å; A340-F344 PolarHBondContact O-N 3.13Å; F344-L346 HydrophobicContact CD1-CD1 3.9Å; F344-L346 HydrophobicContact CD1-CG 4.48Å; F344-L346 HydrophobicContact CE1-CD1 4.3Å; F344-L346 PolarHBondContact O-N 2.99Å; F344-L346 VanDerWaalsContact O-N 3.15Å
345	D	28.4	Very low	33.2	Very low	164 Å²	164	110.9 Å²	110.9	88%	0.877	58%	0.583	S	S	*	*			trans	-79.9	84	164.3	-167.6	16.8	0	0	0	110.3
346	L	30.4	Very low	33.1	Very low	112 Å²	112	112 Å²	112	59%	0.586	59%	0.586	S	S	*	*			trans	-131.8	100.4	177.3	-74	180	0	0	0	112.1	F344	F344-L346 HydrophobicContact CD1-CD1 3.9Å; F344-L346 HydrophobicContact CD1-CG 4.48Å; F344-L346 HydrophobicContact CE1-CD1 4.3Å; F344-L346 PolarHBondContact O-N 2.99Å; F344-L346 VanDerWaalsContact O-N 3.15Å
347	N	30.4	Very low	33	Very low	141 Å²	141	110.8 Å²	110.8	75%	0.754	58%	0.578	S	S	*	*			trans	26.8	112.5	155.5	-68.9	-29.9	0	0	0	118.3	H349	N347-H349 PolarHBondContact O-N 3.43Å
348	G	32.4	Very low	33.2	Very low	57 Å²	57	118.5 Å²	118.5	59%	0.588	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	6.9	-167.2	0	0	0	0	0	120.1
349	H	35.6	Very low	33.3	Very low	167 Å²	167	123.3 Å²	123.3	77%	0.773	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-44.4	175.4	-103.6	-84.9	0	0	0	112.9	N347 R351 R352	N347-H349 PolarHBondContact O-N 3.43Å; H349-R351 PolarHBondContact O-N 3.03Å; H349-R352 PolarHBondContact O-N 3.49Å
350	T	36	Very low	33.3	Very low	89 Å²	89	125.5 Å²	125.5	55%	0.546	61%	0.613	S	S	.	*	H	α-helix	trans	-66.7	-21.2	177.6	47.6	0	0	0	0	113.1	R352 E353 S354	T350-R352 VanDerWaalsContact C-N 3.29Å; T350-R352 PolarHBondContact O-N 3.43Å; T350-E353 PolarHBondContact O-N 3.03Å; T350-S354 PolarHBondContact O-N 3.38Å; T350-S354 VanDerWaalsContact O-N 3.08Å
351	R	33.5	Very low	33.3	Very low	181 Å²	181	130.8 Å²	130.8	68%	0.683	63%	0.628	S	S	*	*	H	α-helix	trans	-67.7	-24.1	178.9	-150.9	177.9	-165.6	-165	6.7	113.4	H349 K355	H349-R351 PolarHBondContact O-N 3.03Å; R351-K355 WeakPolarHBondContact O-CG 3.32Å
352	R	34.3	Very low	33.1	Very low	208 Å²	208	132.3 Å²	132.3	79%	0.785	63%	0.627	S	S	*	*	H	α-helix	trans	-79.7	-44.2	172	-78	-176.9	173.6	170.3	-0.3	111.2	H349 T350 S354 K355 Q356	H349-R352 PolarHBondContact O-N 3.49Å; T350-R352 VanDerWaalsContact C-N 3.29Å; T350-R352 PolarHBondContact O-N 3.43Å; R352-S354 PolarHBondContact O-N 3.47Å; R352-K355 PolarHBondContact O-N 3.01Å; R352-Q356 WeakPolarHBondContact O-CB 3.42Å; R352-Q356 PolarHBondContact O-N 3.21Å
353	E	35.8	Very low	32.9	Very low	144 Å²	144	129.6 Å²	129.6	67%	0.673	62%	0.617	S	S	*	*	H	α-helix	trans	-65	-40.7	-178.5	-61.4	-171.4	145	0	0	112.7	T350 K355 Q356 Y357	T350-E353 PolarHBondContact O-N 3.03Å; E353-K355 PolarHBondContact O-N 2.93Å; E353-Q356 PolarHBondContact O-N 3.04Å; E353-Y357 VanDerWaalsContact O-CB 3.29Å; E353-Y357 WeakPolarHBondContact O-CB 3.44Å; E353-Y357 PolarHBondContact O-N 3.22Å
354	S	35.6	Very low	32.6	Very low	64 Å²	64	131 Å²	131	45%	0.448	62%	0.623	S	S	.	*	H	α-helix	trans	-69.2	-34	177.1	77	0	0	0	0	113.1	T350 R352 R358	T350-S354 PolarHBondContact O-N 3.38Å; T350-S354 VanDerWaalsContact O-N 3.08Å; R352-S354 PolarHBondContact O-N 3.47Å; S354-R358 PolarHBondContact O-N 2.84Å; S354-R358 VanDerWaalsContact O-N 3.08Å
355	K	38.1	Very low	32.5	Very low	114 Å²	114	137.5 Å²	137.5	50%	0.496	65%	0.646	S	S	.	*	H	α-helix	trans	-73.1	-34.2	173.6	-76.8	-173.7	175.7	-175.5	0	112.5	R351 R352 E353 K359	R351-K355 WeakPolarHBondContact O-CG 3.32Å; R352-K355 PolarHBondContact O-N 3.01Å; E353-K355 PolarHBondContact O-N 2.93Å; K355-K359 PolarHBondContact O-N 2.81Å
356	Q	37.4	Very low	32.3	Very low	100 Å²	100	134.7 Å²	134.7	47%	0.467	64%	0.637	S	S	.	*	H	α-helix	trans	-64	-47.8	171	-164.3	73.7	8.5	0	0	110.1	R352 E353 R358 K359 E360	R352-Q356 WeakPolarHBondContact O-CB 3.42Å; R352-Q356 PolarHBondContact O-N 3.21Å; E353-Q356 PolarHBondContact O-N 3.04Å; Q356-R358 VanDerWaalsContact C-N 3.3Å; Q356-R358 PolarHBondContact O-N 2.99Å; Q356-K359 WeakPolarHBondContact O-CA 3.26Å; Q356-K359 WeakPolarHBondContact O-CB 3.39Å; Q356-K359 PolarHBondContact O-N 2.92Å; Q356-E360 HydrophobicContact CG-CG 4.44Å; Q356-E360 WeakPolarHBondContact CG-OE1 3.4Å; Q356-E360 PolarHBondContact NE2-OE1 2.85Å; Q356-E360 PolarHBondContact O-N 2.82Å; Q356-E360 VanDerWaalsContact O-N 3.08Å
357	Y	32.7	Very low	32	Very low	83 Å²	83	134.8 Å²	134.8	33%	0.325	64%	0.644	S	S	.	*	H	α-helix	trans	-62.3	-31.9	178.6	-167.2	-115.4	0	0	0	113.8	K309 E353 K359	K309-Y357 HydrophobicContact CD-CE1 4.44Å; K309-Y357 HydrophobicContact CD-CE2 3.98Å; K309-Y357 WeakPolarHBondContact CE-OH 3.33Å; K309-Y357 PolarHBondContact NZ-OH 3.31Å; E353-Y357 VanDerWaalsContact O-CB 3.29Å; E353-Y357 WeakPolarHBondContact O-CB 3.44Å; E353-Y357 PolarHBondContact O-N 3.22Å; Y357-K359 VanDerWaalsContact C-N 3.32Å
358	R	36.3	Very low	31.9	Very low	203 Å²	203	137.6 Å²	137.6	77%	0.766	64%	0.644	S	S	*	*	H	α-helix	trans	-72.1	-17.6	170.6	-77.2	-178.7	176.4	173.1	1.3	113.9	S354 Q356	S354-R358 PolarHBondContact O-N 2.84Å; S354-R358 VanDerWaalsContact O-N 3.08Å; Q356-R358 VanDerWaalsContact C-N 3.3Å; Q356-R358 PolarHBondContact O-N 2.99Å
359	K	36.7	Very low	31.6	Very low	166 Å²	166	140.5 Å²	140.5	72%	0.722	66%	0.656	S	S	*	*	H	α-helix	trans	-94.3	-25.2	176.3	-81.5	179.8	171.3	-178.9	0	113.8	K355 Q356 Y357 K361	K355-K359 PolarHBondContact O-N 2.81Å; Q356-K359 WeakPolarHBondContact O-CA 3.26Å; Q356-K359 WeakPolarHBondContact O-CB 3.39Å; Q356-K359 PolarHBondContact O-N 2.92Å; Y357-K359 VanDerWaalsContact C-N 3.32Å; K359-K361 PolarHBondContact O-N 2.8Å
360	E	32	Very low	31.2	Very low	108 Å²	108	138.6 Å²	138.6	51%	0.505	65%	0.65	S	S	.	*			trans	-97.4	29.8	-169	-69.5	178.2	170	0	0	115.5	Q356 R362	Q356-E360 HydrophobicContact CG-CG 4.44Å; Q356-E360 WeakPolarHBondContact CG-OE1 3.4Å; Q356-E360 PolarHBondContact NE2-OE1 2.85Å; Q356-E360 PolarHBondContact O-N 2.82Å; Q356-E360 VanDerWaalsContact O-N 3.08Å; E360-R362 PolarHBondContact O-N 3.02Å
361	K	29.6	Very low	30.6	Very low	149 Å²	149	137.8 Å²	137.8	65%	0.648	65%	0.652	S	S	*	*			trans	-73	71	176.7	-79.4	-168.1	173.6	-177	0	113.3	K359	K359-K361 PolarHBondContact O-N 2.8Å
362	R	27.4	Very low	30.3	Very low	188 Å²	188	136.5 Å²	136.5	71%	0.709	65%	0.654	S	S	*	*			trans	-133.5	82.5	158.5	-89.5	-174.6	167.2	177.2	-2.3	107.7	E360	E360-R362 PolarHBondContact O-N 3.02Å
363	I	28.7	Very low	29.8	Very low	112 Å²	112	131.6 Å²	131.6	57%	0.574	65%	0.652	S	S	*	*			trans	-129.4	110.9	178.1	-59.3	-178.4	0	0	0	109.9
364	S	24.9	Very low	29.3	Very low	105 Å²	105	129.8 Å²	129.8	73%	0.734	65%	0.654	S	S	*	*			trans	-69	141.8	162.5	47.1	0	0	0	0	109.8	P366	S364-P366 WeakPolarHBondContact O-CD 3.41Å
365	Y	26.7	Very low	29	Very low	232 Å²	232	130.8 Å²	130.8	91%	0.91	66%	0.661	S	S	*	*			trans	-68.1	114.4	-178.2	-65.8	-87.3	0	0	0	111.7
366	P	24.7	Very low	28.5	Very low	105 Å²	105	135.1 Å²	135.1	68%	0.682	68%	0.683	S	S	*	*			trans	-83.8	164.9	171.4	10	9.1	0	0	0	111	S364	S364-P366 WeakPolarHBondContact O-CD 3.41Å
367	P	23.6	Very low	28	Very low	115 Å²	115	138.8 Å²	138.8	75%	0.747	71%	0.705	S	S	*	*			trans	-78	133	-176.3	30.6	-34.4	0	0	0	113.7
368	R	28.6	Very low	27.8	Very low	199 Å²	199	136.6 Å²	136.6	75%	0.751	71%	0.708	S	S	*	*			trans	44.7	98.9	136.7	-64.4	173.6	-174	-172.9	1.7	118.1	I386	R368-I386 HydrophobicContact CB-CD1 4.48Å; R368-I386 HydrophobicContact CG-CD1 3.26Å
369	S	25.6	Very low	27.3	Very low	119 Å²	119	132.1 Å²	132.1	83%	0.832	70%	0.703	S	S	*	*			trans	-147.6	146.7	148.3	57.5	0	0	0	0	111.4
370	I	26.4	Very low	26.9	Very low	126 Å²	126	129.2 Å²	129.2	65%	0.646	69%	0.692	S	S	*	*			trans	-108.4	125.1	167.3	-68.5	162.5	0	0	0	105.6	Q372	I370-Q372 HydrophobicContact CG2-CG 4.31Å
371	A	24.7	Very low	26.7	Very low	72 Å²	72	126.6 Å²	126.6	60%	0.595	69%	0.694	S	S	*	*			trans	-105	132.7	166.5	0	0	0	0	0	108.5
372	Q	26.1	Very low	26.7	Very low	154 Å²	154	123.8 Å²	123.8	72%	0.72	68%	0.684	S	S	*	*			trans	-115.4	128.1	165.6	-65.3	-176	-92.9	0	0	107.2	I370	I370-Q372 HydrophobicContact CG2-CG 4.31Å
373	S	24.5	Very low	26.7	Very low	105 Å²	105	119.1 Å²	119.1	73%	0.734	69%	0.686	S	S	*	*			trans	-116.3	149.1	160	61.1	0	0	0	0	108.2
374	C	26	Very low	26.6	Very low	106 Å²	106	118.6 Å²	118.6	72%	0.716	69%	0.691	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-124.2	120.8	179.3	-162.5	0	0	0	0	107.6
375	S	27.6	Very low	26.7	Very low	85 Å²	85	121.8 Å²	121.8	59%	0.594	69%	0.691	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.8	163.1	171.6	64.4	0	0	0	0	109.7	L377 G378	S375-L377 PolarHBondContact O-N 3.31Å; S375-G378 PolarHBondContact O-N 2.86Å
376	Q	28	Very low	26.7	Very low	205 Å²	205	114.9 Å²	114.9	96%	0.958	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	2	-169.1	-72.6	174.2	-38.1	0	0	115.5
377	L	27.8	Very low	26.6	Very low	177 Å²	177	120.8 Å²	120.8	93%	0.927	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120	2.6	-175.1	-75.7	165.4	0	0	0	115.1	S375	S375-L377 PolarHBondContact O-N 3.31Å
378	G	27.6	Very low	26.7	Very low	38 Å²	38	122.2 Å²	122.2	39%	0.392	68%	0.679	S	S	.	*	E	Extended strand (participates in β ladder)	trans	162.5	154	170.5	0	0	0	0	0	116	S375 E380	S375-G378 PolarHBondContact O-N 2.86Å; G378-E380 PolarHBondContact O-N 2.82Å
379	V	26.7	Very low	26.6	Very low	109 Å²	109	123.7 Å²	123.7	66%	0.661	69%	0.685	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-86.8	107.3	177.7	-174.2	0	0	0	0	110.7	K396	V379-K396 PolarHBondContact O-NZ 3.24Å
380	E	27.7	Very low	26.6	Very low	105 Å²	105	124.8 Å²	124.8	49%	0.491	68%	0.675	S	S	.	*			trans	-96	128.5	170.9	-63.7	-114.1	117	0	0	109.9	G378	G378-E380 PolarHBondContact O-N 2.82Å
381	G	28.2	Very low	26.7	Very low	53 Å²	53	123.6 Å²	123.6	55%	0.546	68%	0.675	S	S	.	*			trans	-158	127.5	179.1	0	0	0	0	0	108.6
382	M	28.7	Very low	26.7	Very low	89 Å²	89	121.8 Å²	121.8	44%	0.438	66%	0.663	S	S	.	*			trans	-131.3	132.8	-177.8	-151.1	-162.2	-156.9	0	0	111.2	V314 M317	V314-M382 HydrophobicContact CB-CE 4.13Å; V314-M382 HydrophobicContact CB-SD 4.29Å; V314-M382 HydrophobicContact CG1-CE 3.55Å; V314-M382 HydrophobicContact CG1-SD 4.17Å; V314-M382 HydrophobicContact CG2-CE 3.77Å; V314-M382 HydrophobicContact CG2-SD 3.3Å; V314-M382 WeakPolarHBondContact CG2-SD 3.03Å; M317-M382 HydrophobicContact CE-CE 4.31Å
383	A	28.1	Very low	26.9	Very low	91 Å²	91	118.9 Å²	118.9	75%	0.752	65%	0.652	S	S	*	*			trans	-106.2	126	174.8	0	0	0	0	0	109.9
384	C	25.8	Very low	27.1	Very low	100 Å²	100	122 Å²	122	68%	0.676	65%	0.653	S	S	*	*			trans	-123.9	115.8	172.3	-162.7	0	0	0	0	108.4
385	K	26.8	Very low	27.3	Very low	173 Å²	173	121.9 Å²	121.9	75%	0.752	64%	0.641	S	S	*	*			trans	-103	144.5	-174.6	-162.1	-179.4	178.5	-169.7	0	111.3
386	I	26.9	Very low	27.2	Very low	87 Å²	87	124 Å²	124	45%	0.446	64%	0.64	S	S	.	*			trans	-101.4	133.7	-169.1	-69	163.3	0	0	0	111.7	R368	R368-I386 HydrophobicContact CB-CD1 4.48Å; R368-I386 HydrophobicContact CG-CD1 3.26Å
387	R	23.8	Very low	27.1	Very low	229 Å²	229	120.1 Å²	120.1	86%	0.864	63%	0.63	S	S	*	*	S	Bend	trans	64	141.2	169.7	-84.5	-177.7	167.1	166	-3.3	118.1
388	N	25.9	Very low	27	Very low	144 Å²	144	119.9 Å²	119.9	77%	0.77	62%	0.622	S	S	*	*	S	Bend	trans	67.7	104.8	163.7	-62.1	-1.9	0	0	0	118.5
389	R	24.9	Very low	26.9	Very low	230 Å²	230	129.5 Å²	129.5	87%	0.868	65%	0.646	S	S	*	*	S	Bend	trans	66.5	133.6	159.6	-52.2	-176	-172	-173.8	3.6	116.7
390	F	26.2	Very low	26.9	Very low	142 Å²	142	130.1 Å²	130.1	62%	0.623	65%	0.65	S	S	*	*			trans	63.8	110	175.7	-59.3	-80.5	0	0	0	118.6	G392	F390-G392 PolarHBondContact O-N 2.83Å
391	P	28.2	Very low	26.8	Very low	102 Å²	102	132.8 Å²	132.8	66%	0.662	67%	0.668	S	S	*	*			trans	-92.6	64.4	174.4	37.1	-34.3	0	0	0	113	R321	R321-P391 PolarHBondContact NH1-O 3.48Å; R321-P391 PolarHBondContact NH2-O 2.91Å
392	G	26.3	Very low	26.6	Very low	33 Å²	33	134 Å²	134	34%	0.34	68%	0.68	S	S	.	*			trans	-73.7	130.7	168.4	0	0	0	0	0	112.3	Y234 F390	Y234-G392 VanDerWaalsContact OH-CA 3.24Å; Y234-G392 WeakPolarHBondContact OH-CA 3.42Å; F390-G392 PolarHBondContact O-N 2.83Å
393	I	29.1	Very low	26.4	Very low	93 Å²	93	135.8 Å²	135.8	48%	0.477	70%	0.701	S	S	.	*			trans	-127.8	120.7	165.8	-70.9	179.2	0	0	0	108	M317 R321	M317-I393 HydrophobicContact SD-CD1 3.75Å; R321-I393 VanDerWaalsContact NH2-CD1 3.28Å
394	F	29.1	Very low	26.2	Very low	171 Å²	171	140.1 Å²	140.1	75%	0.75	71%	0.706	S	S	*	*			trans	-71.3	142.7	175.3	-71	-94.8	0	0	0	110.9
395	H	30	Very low	26.1	Very low	103 Å²	103	144 Å²	144	48%	0.477	71%	0.714	S	S	.	*			trans	-69.4	144.8	179.8	-108.1	53.5	0	0	0	112.5
396	K	26	Very low	25.9	Very low	130 Å²	130	142.8 Å²	142.8	57%	0.565	72%	0.716	S	S	*	*			trans	-106.9	103.7	168.2	-168.7	-174.3	-173.7	-170.8	0	107.4	V379	V379-K396 PolarHBondContact O-NZ 3.24Å
397	T	25.5	Very low	25.7	Very low	123 Å²	123	146 Å²	146	76%	0.755	73%	0.732	S	S	*	*			trans	-75.7	122	172.7	41.7	0	0	0	0	110.2
398	K	26.2	Very low	25.8	Very low	172 Å²	172	138.9 Å²	138.9	75%	0.748	72%	0.723	S	S	*	*			trans	-70	123.9	155.7	-122.2	179.4	179.6	-179.7	0	106.2
399	R	24.2	Very low	25.6	Very low	241 Å²	241	139.4 Å²	139.4	91%	0.909	73%	0.731	S	S	*	*			trans	-101.1	113	167.3	-116.6	-175.6	178	179	-2.8	106.6
400	T	26.9	Very low	25.7	Very low	122 Å²	122	132 Å²	132	75%	0.748	73%	0.726	S	S	*	*			trans	-99.1	152.9	154.2	45	0	0	0	0	107.8
401	D	25.8	Very low	25.7	Very low	160 Å²	160	134.9 Å²	134.9	86%	0.856	74%	0.738	S	S	*	*			trans	-61.1	165.8	163.7	31.3	22	0	0	0	111
402	G	24	Very low	25.6	Very low	78 Å²	78	136.5 Å²	136.5	80%	0.804	75%	0.749	S	S	*	*			trans	-130.2	166.6	-158	0	0	0	0	0	116.3
403	S	25.7	Very low	25.5	Very low	127 Å²	127	141 Å²	141	89%	0.888	78%	0.775	S	S	*	*			trans	-162.3	163.2	162.5	47.3	0	0	0	0	109.2
404	Q	22.4	Very low	25.4	Very low	182 Å²	182	139.7 Å²	139.7	85%	0.85	78%	0.784	S	S	*	*			trans	-103.6	162.8	-166.3	-63.1	169.2	-73.2	0	0	114
405	E	23.7	Very low	25.3	Very low	182 Å²	182	140 Å²	140	85%	0.85	79%	0.788	S	S	*	*			trans	155.6	127.8	139.5	-84.2	173.3	173.4	0	0	108.9
406	L	23.3	Very low	25.2	Very low	148 Å²	148	139.4 Å²	139.4	78%	0.775	80%	0.796	S	S	*	*				67.5	130.9	56.8	-66.6	171.2	0	0	0	111.6
407	L	23.5	Very low	25.3	Very low	153 Å²	153	141.9 Å²	141.9	80%	0.801	81%	0.809	S	S	*	*			cis	-160.7	172.3	23.4	-111.3	152.2	0	0	0	114.3
408	A	24.2	Very low	25.3	Very low	80 Å²	80	143.9 Å²	143.9	66%	0.661	82%	0.815	S	S	*	*			trans	29.6	123.1	151.9	0	0	0	0	0	122.3
409	V	22.9	Very low	25.4	Very low	155 Å²	155	139.2 Å²	139.2	94%	0.939	82%	0.815	S	S	*	*				79.9	121.9	69.9	173.5	0	0	0	0	115.6
410	G	25.8	Very low	25.8	Very low	74 Å²	74	133.5 Å²	133.5	76%	0.763	81%	0.81	S	S	*	*			trans	178.6	121.8	165.6	0	0	0	0	0	114.4
411	K	25.9	Very low	25.8	Very low	204 Å²	204	134.1 Å²	134.1	89%	0.887	81%	0.813	S	S	*	*			trans	-145	149.6	165.2	-98	-168.9	175.6	-175.4	0	108.1
412	P	27.4	Very low	25.8	Very low	135 Å²	135	132.6 Å²	132.6	88%	0.877	81%	0.81	S	S	*	*			trans	-136.8	178.4	131.2	25.7	-6.4	0	0	0	114.5
413	S	24.7	Very low	25.8	Very low	127 Å²	127	134.4 Å²	134.4	89%	0.888	81%	0.809	S	S	*	*			trans	-105.2	167.9	-165.1	48.3	0	0	0	0	114.7
414	G	26.8	Very low	25.9	Very low	66 Å²	66	134.5 Å²	134.5	68%	0.68	81%	0.807	S	S	*	*			trans	-170.5	108.7	163.1	0	0	0	0	0	115.1
415	H	27.4	Very low	26.1	Very low	178 Å²	178	137 Å²	137	82%	0.824	81%	0.808	S	S	*	*			trans	33.2	118.3	144.8	-67.6	-59.2	0	0	0	121.2
416	S	26.4	Very low	26.2	Very low	91 Å²	91	140.6 Å²	140.6	64%	0.636	81%	0.814	S	S	*	*				66.2	137	77	73.7	0	0	0	0	113.8
417	Q	28.2	Very low	26.4	Very low	181 Å²	181	137.3 Å²	137.3	85%	0.846	81%	0.809	S	S	*	*			cis	-152.1	-175.6	48.6	-73.1	-176.7	-24.2	0	0	115
418	D	26.7	Very low	27	Very low	166 Å²	166	134.2 Å²	134.2	89%	0.888	80%	0.796	S	S	*	*			trans	-78.9	172.2	-168.3	-53.8	-85.2	0	0	0	118
419	G	27.8	Very low	27.7	Very low	73 Å²	73	137.7 Å²	137.7	75%	0.753	80%	0.803	S	S	*	*			trans	172.7	108.9	167.4	0	0	0	0	0	113.6
420	P	31.9	Very low	28.7	Very low	121 Å²	121	135.4 Å²	135.4	79%	0.786	79%	0.794	S	S	*	*			trans	-101.3	151.5	-167	37.1	-34.9	0	0	0	115.3
421	T	28.1	Very low	30.4	Very low	135 Å²	135	135.9 Å²	135.9	83%	0.828	78%	0.776	S	S	*	*			trans	-165.3	112.6	149.9	7.4	0	0	0	0	114.6
422	T	25.3	Very low	32.3	Very low	129 Å²	129	129.3 Å²	129.3	79%	0.791	75%	0.753	S	S	*	*			trans	16.3	109.5	142.1	54.7	0	0	0	0	121.6
423	C	24.4	Very low	33.9	Very low	116 Å²	116	122.9 Å²	122.9	78%	0.784	71%	0.711	S	S	*	*			trans	-173.2	157.5	135.1	-107.6	0	0	0	0	111.8	R425	C423-R425 PolarHBondContact O-N 2.83Å
424	P	27.1	Very low	36.2	Very low	129 Å²	129	117.5 Å²	117.5	84%	0.838	67%	0.672	S	S	*	*			trans	-76.4	97.8	-155.7	29.3	-36.1	0	0	0	114.9
425	R	27	Very low	38.5	Very low	234 Å²	234	117.5 Å²	117.5	88%	0.883	66%	0.659	S	S	*	*			trans	-110.3	72.6	174.9	-71.2	-175.6	172.6	-177.1	0.5	113.2	C423	C423-R425 PolarHBondContact O-N 2.83Å
426	R	24.9	Very low	40.6	Very low	257 Å²	257	110.9 Å²	110.9	97%	0.97	63%	0.633	S	S	*	*	S	Bend	trans	-140.6	69.4	168.6	-96.8	-174	175.7	179.1	-0.4	112.3
427	A	28.1	Very low	43.1	Very low	80 Å²	80	106.5 Å²	106.5	66%	0.661	60%	0.602	S	S	*	*	S	Bend	trans	-161.3	-22.3	169.6	0	0	0	0	0	116.4	L429	A427-L429 PolarHBondContact O-N 3.2Å
428	T	36.8	Very low	45.2	Very low	87 Å²	87	101.7 Å²	101.7	53%	0.534	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.5	12.5	-150.1	45.4	0	0	0	0	117.7
429	L	38.2	Very low	47.2	Very low	153 Å²	153	94.8 Å²	94.8	80%	0.801	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	-16	-175	-84.1	162.2	0	0	0	115.7	A427	A427-L429 PolarHBondContact O-N 3.2Å
430	S	43	Very low	49.1	Very low	107 Å²	107	93.6 Å²	93.6	75%	0.748	52%	0.521	S	S	*	.	S	Bend	trans	-98.7	-16.3	-175.5	54.9	0	0	0	0	114.9	T432	S430-T432 PolarHBondContact O-N 3.24Å
431	H	62.2	Low	50.7	Low	84 Å²	84	88 Å²	88	39%	0.389	48%	0.484	S	S	.	.			trans	-74.5	119.7	-173	-151.5	-39.4	0	0	0	111.8	G433 I434 V435 A508 A512	H431-G433 PolarHBondContact O-N 3.34Å; H431-I434 HydrophobicContact CB-CD1 4.14Å; H431-I434 HydrophobicContact CB-CG1 4.35Å; H431-I434 PolarHBondContact O-N 3.35Å; H431-V435 PolarHBondContact O-N 3.07Å; H431-A508 PolarHBondContact CE1-O 3.4Å; H431-A512 HydrophobicContact CB-CB 4.36Å; H431-A512 VanDerWaalsContact CE1-CB 3.42Å; H431-A512 WeakPolarHBondContact CE1-CB 3.39Å; H431-A512 VanDerWaalsContact ND1-CB 3.32Å; H431-A512 WeakPolarHBondContact ND1-CB 3.42Å
432	T	66.3	Low	52.3	Low	66 Å²	66	88.5 Å²	88.5	41%	0.405	47%	0.471	S	S	.	.	H	α-helix	trans	-47.1	-50.3	-174.8	49.5	0	0	0	0	113.7	S430 I434 V435 S436	S430-T432 PolarHBondContact O-N 3.24Å; T432-I434 VanDerWaalsContact C-N 3.31Å; T432-I434 PolarHBondContact O-N 3.33Å; T432-V435 CarbonylContact O-C 3.57Å; T432-V435 WeakPolarHBondContact O-CA 3.22Å; T432-V435 WeakPolarHBondContact O-CB 2.87Å; T432-V435 PolarHBondContact O-N 3.04Å; T432-S436 PolarHBondContact O-N 3.47Å; T432-S436 PolarHBondContact O-OG 2.98Å
433	G	61.5	Low	53.9	Low	0 Å²	0	83.8 Å²	83.8	0%	0	44%	0.443	C	S	.	.	H	α-helix	trans	-56.5	-39.4	179	0	0	0	0	0	114.6	H431 V435 M437	H431-G433 PolarHBondContact O-N 3.34Å; G433-V435 VanDerWaalsContact C-N 3.33Å; G433-M437 WeakPolarHBondContact O-CB 3.24Å; G433-M437 PolarHBondContact O-N 3.5Å
434	I	72.9	Confident	55.3	Low	15 Å²	15	81.1 Å²	81.1	8%	0.077	42%	0.417	C	S	.	.	H	α-helix	trans	-68.3	-36.6	177	-57.1	176.2	0	0	0	110.4	H431 T432 K438 A512 V516	H431-I434 HydrophobicContact CB-CD1 4.14Å; H431-I434 HydrophobicContact CB-CG1 4.35Å; H431-I434 PolarHBondContact O-N 3.35Å; T432-I434 VanDerWaalsContact C-N 3.31Å; T432-I434 PolarHBondContact O-N 3.33Å; I434-K438 HydrophobicContact CG2-CD 4.03Å; I434-K438 VanDerWaalsContact O-CB 3.31Å; I434-K438 WeakPolarHBondContact O-CB 3.33Å; I434-K438 VanDerWaalsContact O-CG 3.23Å; I434-K438 WeakPolarHBondContact O-CG 3.45Å; I434-K438 PolarHBondContact O-N 2.68Å; I434-A512 HydrophobicContact CG1-CB 4.39Å; I434-V516 HydrophobicContact CD1-CG2 3.71Å; I434-V516 HydrophobicContact CG1-CG2 3.78Å
435	V	74.8	Confident	56.2	Low	66 Å²	66	78 Å²	78	40%	0.4	40%	0.396	S	S	.	.	H	α-helix	trans	-70.1	-46.1	177.3	179.9	0	0	0	0	111.1	H431 T432 G433 K438 A439	H431-V435 PolarHBondContact O-N 3.07Å; T432-V435 CarbonylContact O-C 3.57Å; T432-V435 WeakPolarHBondContact O-CA 3.22Å; T432-V435 WeakPolarHBondContact O-CB 2.87Å; T432-V435 PolarHBondContact O-N 3.04Å; G433-V435 VanDerWaalsContact C-N 3.33Å; V435-K438 PolarHBondContact O-N 2.87Å; V435-A439 WeakPolarHBondContact O-CB 3.33Å; V435-A439 PolarHBondContact O-N 3.32Å
436	S	70.6	Confident	56.8	Low	38 Å²	38	74.5 Å²	74.5	27%	0.266	38%	0.382	S	S	.	.	H	α-helix	trans	-62	-46	175.5	-61.3	0	0	0	0	111.3	T432 A439 L440 E509	T432-S436 PolarHBondContact O-N 3.47Å; T432-S436 PolarHBondContact O-OG 2.98Å; S436-A439 WeakPolarHBondContact O-CB 3.33Å; S436-A439 PolarHBondContact O-N 2.94Å; S436-L440 WeakPolarHBondContact O-CG 3Å; S436-L440 PolarHBondContact O-N 3.42Å; S436-E509 VanDerWaalsContact CB-OE1 3.22Å; S436-E509 WeakPolarHBondContact CB-OE1 3.46Å; S436-E509 PolarHBondContact OG-OE1 2.91Å
437	M	79.1	Confident	57.1	Low	0 Å²	0	68.1 Å²	68.1	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-58	-51.8	175	-168.9	-70.9	-179.8	0	0	110.8	G433 A439 L440 A441 V489 L497 I500 F501 L504 W520	G433-M437 WeakPolarHBondContact O-CB 3.24Å; G433-M437 PolarHBondContact O-N 3.5Å; M437-A439 PolarHBondContact O-N 3.23Å; M437-L440 PolarHBondContact O-N 2.81Å; M437-A441 VanDerWaalsContact O-CB 3.24Å; M437-A441 WeakPolarHBondContact O-CB 3Å; M437-A441 PolarHBondContact O-N 2.59Å; M437-A441 HydrophobicContact SD-CB 4.04Å; M437-V489 HydrophobicContact CE-CG1 3.57Å; M437-V489 HydrophobicContact SD-CG1 4.11Å; M437-L497 HydrophobicContact CE-CD2 3.69Å; M437-I500 HydrophobicContact CE-CG2 4.22Å; M437-I500 HydrophobicContact CG-CG2 4.21Å; M437-I500 HydrophobicContact SD-CG2 4.48Å; M437-F501 HydrophobicContact CE-CE1 3.95Å; M437-F501 HydrophobicContact CE-CZ 3.94Å; M437-F501 HydrophobicContact CG-CD1 4.35Å; M437-F501 HydrophobicContact CG-CE1 3.81Å; M437-L504 HydrophobicContact CB-CD1 3.93Å; M437-L504 HydrophobicContact CG-CD1 4.25Å; M437-W520 HydrophobicContact CB-CZ3 4.3Å; M437-W520 HydrophobicContact CE-CH2 3.76Å; M437-W520 HydrophobicContact CE-CZ2 3.77Å; M437-W520 HydrophobicContact CE-CZ3 4.18Å; M437-W520 HydrophobicContact CG-CH2 3.89Å; M437-W520 HydrophobicContact CG-CZ3 3.75Å; M437-W520 HydrophobicContact SD-CH2 3.39Å; M437-W520 WeakPolarHBondContact SD-CH2 3.18Å; M437-W520 HydrophobicContact SD-CZ2 3.94Å; M437-W520 HydrophobicContact SD-CZ3 3.91Å
438	K	73	Confident	57.2	Low	80 Å²	80	69.7 Å²	69.7	35%	0.348	36%	0.362	S	S	.	.	H	α-helix	trans	-63.3	-28.6	178	-74.4	173.5	-178.9	174.9	0	113	I434 V435 R442	I434-K438 HydrophobicContact CG2-CD 4.03Å; I434-K438 VanDerWaalsContact O-CB 3.31Å; I434-K438 WeakPolarHBondContact O-CB 3.33Å; I434-K438 VanDerWaalsContact O-CG 3.23Å; I434-K438 WeakPolarHBondContact O-CG 3.45Å; I434-K438 PolarHBondContact O-N 2.68Å; V435-K438 PolarHBondContact O-N 2.87Å; K438-R442 WeakPolarHBondContact O-CD 3.33Å; K438-R442 WeakPolarHBondContact O-CG 3.42Å; K438-R442 PolarHBondContact O-N 3.34Å
439	A	67.2	Low	57.1	Low	21 Å²	21	72.1 Å²	72.1	17%	0.174	37%	0.371	C	S	.	.	H	α-helix	trans	-72.1	-45.6	174.3	0	0	0	0	0	111.8	V435 S436 M437	V435-A439 WeakPolarHBondContact O-CB 3.33Å; V435-A439 PolarHBondContact O-N 3.32Å; S436-A439 WeakPolarHBondContact O-CB 3.33Å; S436-A439 PolarHBondContact O-N 2.94Å; M437-A439 PolarHBondContact O-N 3.23Å
440	L	68.1	Low	57.2	Low	48 Å²	48	70.5 Å²	70.5	25%	0.251	36%	0.363	S	S	.	.	H	α-helix	trans	-63.1	-49	174.1	-70.7	168.9	0	0	0	111.4	S436 M437 R442 S443 Y444 I500 F503 L504	S436-L440 WeakPolarHBondContact O-CG 3Å; S436-L440 PolarHBondContact O-N 3.42Å; M437-L440 PolarHBondContact O-N 2.81Å; L440-R442 VanDerWaalsContact C-N 3.28Å; L440-R442 PolarHBondContact O-N 3.2Å; L440-S443 PolarHBondContact O-N 3.29Å; L440-S443 PolarHBondContact O-OG 3.18Å; L440-Y444 VanDerWaalsContact O-CD2 3.3Å; L440-Y444 WeakPolarHBondContact O-CD2 3.47Å; L440-Y444 PolarHBondContact O-N 3.16Å; L440-I500 HydrophobicContact CB-CG2 3.94Å; L440-I500 HydrophobicContact CD1-CG2 4.36Å; L440-F503 HydrophobicContact CD1-CB 3.86Å; L440-F503 HydrophobicContact CD2-CB 4.44Å; L440-L504 HydrophobicContact CD1-CD2 3.62Å; L440-L504 HydrophobicContact CD1-CG 4.14Å
441	A	66.7	Low	56.6	Low	2 Å²	2	71.5 Å²	71.5	2%	0.017	36%	0.358	C	S	.	.	H	α-helix	trans	-52.4	-44.1	177.9	0	0	0	0	0	112.2	M437 S443 Y444 V445 V489 F492 I500	M437-A441 VanDerWaalsContact O-CB 3.24Å; M437-A441 WeakPolarHBondContact O-CB 3Å; M437-A441 PolarHBondContact O-N 2.59Å; M437-A441 HydrophobicContact SD-CB 4.04Å; A441-S443 VanDerWaalsContact C-N 3.3Å; A441-S443 PolarHBondContact O-N 3.42Å; A441-Y444 WeakPolarHBondContact O-CA 3.38Å; A441-Y444 PolarHBondContact O-N 3.24Å; A441-V445 WeakPolarHBondContact O-CG2 3.29Å; A441-V445 PolarHBondContact O-N 2.97Å; A441-V489 HydrophobicContact CB-CG2 4.25Å; A441-F492 HydrophobicContact CB-CE2 3.99Å; A441-I500 HydrophobicContact CB-CD1 4.34Å
442	R	61.5	Low	55.1	Low	147 Å²	147	71.4 Å²	71.4	56%	0.555	37%	0.365	S	S	*	.	H	α-helix	trans	-59	-38.2	176.9	-76.1	168.2	-174.7	-179.9	0.9	113	K438 L440 Y444 V445 W446	K438-R442 WeakPolarHBondContact O-CD 3.33Å; K438-R442 WeakPolarHBondContact O-CG 3.42Å; K438-R442 PolarHBondContact O-N 3.34Å; L440-R442 VanDerWaalsContact C-N 3.28Å; L440-R442 PolarHBondContact O-N 3.2Å; R442-Y444 PolarHBondContact O-N 2.79Å; R442-V445 PolarHBondContact O-N 3.22Å; R442-V445 VanDerWaalsContact O-N 3.12Å; R442-W446 PolarHBondContact O-N 2.92Å
443	S	58.2	Low	53.5	Low	30 Å²	30	74.1 Å²	74.1	21%	0.21	38%	0.381	C	S	.	.	H	α-helix	trans	-71.8	-6.4	174.4	58.9	0	0	0	0	115.5	E331 L440 A441	E331-S443 WeakPolarHBondContact OE1-CA 3.27Å; E331-S443 WeakPolarHBondContact OE1-CB 3.3Å; L440-S443 PolarHBondContact O-N 3.29Å; L440-S443 PolarHBondContact O-OG 3.18Å; A441-S443 VanDerWaalsContact C-N 3.3Å; A441-S443 PolarHBondContact O-N 3.42Å
444	Y	53.4	Low	52.1	Low	60 Å²	60	79.5 Å²	79.5	24%	0.235	42%	0.419	C	S	.	.	H	α-helix	trans	-99.5	-23.6	166.4	-72.3	-83.9	0	0	0	113.2	L440 A441 R442 I496 L499 I500 F503	L440-Y444 VanDerWaalsContact O-CD2 3.3Å; L440-Y444 WeakPolarHBondContact O-CD2 3.47Å; L440-Y444 PolarHBondContact O-N 3.16Å; A441-Y444 WeakPolarHBondContact O-CA 3.38Å; A441-Y444 PolarHBondContact O-N 3.24Å; R442-Y444 PolarHBondContact O-N 2.79Å; Y444-I496 HydrophobicContact CD1-CG2 4.37Å; Y444-I496 HydrophobicContact CG-CG2 4.41Å; Y444-L499 HydrophobicContact CE1-CD2 4.19Å; Y444-I500 HydrophobicContact CD2-CD1 3.79Å; Y444-I500 HydrophobicContact CD2-CG1 3.51Å; Y444-I500 HydrophobicContact CE2-CD1 4.33Å; Y444-I500 HydrophobicContact CE2-CG1 3.54Å; Y444-I500 HydrophobicContact CG-CD1 4.28Å; Y444-I500 HydrophobicContact CG-CG1 4.34Å; Y444-F503 WeakPolarHBondContact OH-CE2 3.31Å
445	V	47.5	Very low	50.1	Low	64 Å²	64	87.5 Å²	87.5	39%	0.388	45%	0.453	S	S	.	.	H	α-helix	trans	-73.9	-27.6	177	179.4	0	0	0	0	112.1	A441 R442 W447 F492	A441-V445 WeakPolarHBondContact O-CG2 3.29Å; A441-V445 PolarHBondContact O-N 2.97Å; R442-V445 PolarHBondContact O-N 3.22Å; R442-V445 VanDerWaalsContact O-N 3.12Å; V445-W447 PolarHBondContact O-N 3.25Å; V445-F492 HydrophobicContact CB-CZ 4.41Å; V445-F492 HydrophobicContact CG2-CE1 4.03Å; V445-F492 HydrophobicContact CG2-CE2 4.02Å; V445-F492 HydrophobicContact CG2-CZ 3.37Å
446	W	38.7	Very low	48.2	Very low	159 Å²	159	91.1 Å²	91.1	60%	0.602	47%	0.469	S	S	*	.			trans	-75.4	36.8	-175	-100.6	70	0	0	0	115.5	E331 R442	E331-W446 HydrophobicContact CG-CB 4.43Å; R442-W446 PolarHBondContact O-N 2.92Å
447	W	31	Very low	46.2	Very low	124 Å²	124	94.4 Å²	94.4	47%	0.47	49%	0.491	S	S	.	.			trans	-122.1	107.2	178.8	-76.6	84.2	0	0	0	111.8	V445 N449 I450	V445-W447 PolarHBondContact O-N 3.25Å; W447-N449 PolarHBondContact O-N 3.06Å; W447-N449 VanDerWaalsContact O-N 3.09Å; W447-I450 HydrophobicContact CB-CD1 3.55Å; W447-I450 HydrophobicContact CB-CG1 3.83Å; W447-I450 HydrophobicContact CG-CD1 4.02Å
448	P	30.5	Very low	43.7	Very low	112 Å²	112	99.6 Å²	99.6	73%	0.727	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-11.4	179.4	-24.6	35.2	0	0	0	116
449	N	35.6	Very low	41.5	Very low	138 Å²	138	104.9 Å²	104.9	74%	0.738	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.7	12.5	-163.1	-64.6	-24.3	0	0	0	115.4	W447 I451	W447-N449 PolarHBondContact O-N 3.06Å; W447-N449 VanDerWaalsContact O-N 3.09Å; N449-I451 VanDerWaalsContact C-N 3.32Å; N449-I451 PolarHBondContact O-N 2.96Å
450	I	38.9	Very low	39.8	Very low	120 Å²	120	110.7 Å²	110.7	62%	0.615	59%	0.587	S	S	*	*	S	Bend	trans	-79.9	-9	-175.6	-69.9	179.3	0	0	0	113.7	W447	W447-I450 HydrophobicContact CB-CD1 3.55Å; W447-I450 HydrophobicContact CB-CG1 3.83Å; W447-I450 HydrophobicContact CG-CD1 4.02Å
451	I	31.5	Very low	38	Very low	128 Å²	128	114.2 Å²	114.2	66%	0.656	61%	0.611	S	S	*	*	S	Bend	trans	-118	114.8	174.4	-54.4	177.8	0	0	0	109.1	N449 V453	N449-I451 VanDerWaalsContact C-N 3.32Å; N449-I451 PolarHBondContact O-N 2.96Å; I451-V453 PolarHBondContact O-N 3.34Å
452	P	29.7	Very low	36.2	Very low	81 Å²	81	122 Å²	122	53%	0.526	65%	0.651	S	S	.	*			trans	-68.1	116	172.2	27.5	-32.3	0	0	0	109.4	S454 K455	P452-S454 PolarHBondContact O-N 3.39Å; P452-K455 PolarHBondContact O-N 2.99Å
453	V	32.6	Very low	34.7	Very low	124 Å²	124	120.7 Å²	120.7	75%	0.752	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-60.1	-15.7	-178.7	-178.9	0	0	0	0	112.4	I451 K455	I451-V453 PolarHBondContact O-N 3.34Å; V453-K455 PolarHBondContact O-N 3.34Å; V453-K455 VanDerWaalsContact O-N 3.15Å
454	S	32.7	Very low	33.4	Very low	113 Å²	113	123.9 Å²	123.9	79%	0.79	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-71.4	5.5	176.9	55.7	0	0	0	0	116.4	P452	P452-S454 PolarHBondContact O-N 3.39Å
455	K	31.2	Very low	32.3	Very low	182 Å²	182	129.2 Å²	129.2	79%	0.791	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-117.3	6.3	177.5	-85.1	-167.6	173.6	-174.2	0	116.2	P452 V453 S457	P452-K455 PolarHBondContact O-N 2.99Å; V453-K455 PolarHBondContact O-N 3.34Å; V453-K455 VanDerWaalsContact O-N 3.15Å; K455-S457 PolarHBondContact O-N 3.12Å
456	I	33.7	Very low	31.7	Very low	142 Å²	142	133.1 Å²	133.1	73%	0.728	73%	0.731	S	S	*	*			trans	-88.2	92.6	171.2	-57.9	178.7	0	0	0	107.8	S458	I456-S458 PolarHBondContact O-N 3.25Å
457	S	28.3	Very low	31.3	Very low	107 Å²	107	133.1 Å²	133.1	75%	0.748	74%	0.741	S	S	*	*			trans	-66.9	129.8	-179.4	55.9	0	0	0	0	111.7	K455	K455-S457 PolarHBondContact O-N 3.12Å
458	S	26.7	Very low	31.2	Very low	110 Å²	110	130 Å²	130	77%	0.769	75%	0.748	S	S	*	*			trans	-39.2	129.5	165.4	51.6	0	0	0	0	114.5	I456	I456-S458 PolarHBondContact O-N 3.25Å
459	Q	28.4	Very low	31.2	Very low	190 Å²	190	131.1 Å²	131.1	89%	0.888	75%	0.752	S	S	*	*			trans	-159.2	138.4	140.2	-112	167.1	16.9	0	0	111.5
460	T	31.2	Very low	30.9	Very low	143 Å²	143	133.3 Å²	133.3	88%	0.877	76%	0.758	S	S	*	*			trans	89.5	102.1	176.1	-40	0	0	0	0	116.4
461	V	29.2	Very low	30.6	Very low	123 Å²	123	132.5 Å²	132.5	75%	0.745	76%	0.76	S	S	*	*			trans	-109.3	143.3	176.1	175.5	0	0	0	0	108.4
462	L	29.6	Very low	30.4	Very low	165 Å²	165	134 Å²	134	86%	0.864	77%	0.769	S	S	*	*			trans	-136.6	143.1	146.3	-75	-179.8	0	0	0	108.6
463	P	31	Very low	30.2	Very low	119 Å²	119	141.9 Å²	141.9	77%	0.773	79%	0.788	S	S	*	*			trans	-92.4	161.7	-161.2	35.6	-34.4	0	0	0	114
464	A	29.3	Very low	30	Very low	98 Å²	98	140.3 Å²	140.3	81%	0.81	79%	0.788	S	S	*	*			trans	-114.6	149.8	172.9	0	0	0	0	0	110.3
465	E	30.9	Very low	29.6	Very low	172 Å²	172	142.8 Å²	142.8	80%	0.804	79%	0.787	S	S	*	*			trans	-137.6	147.6	174.7	-97.6	-164.9	-168.3	0	0	113
466	H	34.2	Very low	29.4	Very low	145 Å²	145	144 Å²	144	67%	0.671	79%	0.792	S	S	*	*			trans	86.5	106.5	159.6	-74.8	44.6	0	0	0	121.8
467	I	30.9	Very low	29.2	Very low	159 Å²	159	144.4 Å²	144.4	82%	0.815	80%	0.797	S	S	*	*			trans	65.1	131.4	132.7	-49.9	164.1	0	0	0	117.9
468	G	29.3	Very low	29.2	Very low	59 Å²	59	145 Å²	145	61%	0.608	80%	0.795	S	S	*	*			cis	173.4	168.2	-2.5	0	0	0	0	0	113
469	T	30.8	Very low	29.2	Very low	135 Å²	135	147.1 Å²	147.1	83%	0.828	80%	0.796	S	S	*	*			trans	66	126.1	160.3	54.9	0	0	0	0	124.4
470	H	29.4	Very low	29.2	Very low	184 Å²	184	142 Å²	142	85%	0.852	79%	0.786	S	S	*	*			trans	79.2	146.2	157.7	-74.1	-71.1	0	0	0	122.5
471	P	32.7	Very low	29.3	Very low	103 Å²	103	141.1 Å²	141.1	67%	0.669	78%	0.78	S	S	*	*			trans	-131.5	176.8	-147.6	39.5	-19.9	0	0	0	117.2
472	L	26.6	Very low	29.2	Very low	161 Å²	161	146.4 Å²	146.4	84%	0.843	79%	0.787	S	S	*	*			trans	102.1	102.5	162.2	-57.9	175.7	0	0	0	118.4
473	R	25.9	Very low	29.2	Very low	245 Å²	245	145.1 Å²	145.1	93%	0.925	79%	0.786	S	S	*	*	S	Bend	trans	69.3	60.6	149.6	-72.6	-176.5	165.5	163	-3.6	119
474	A	27.3	Very low	29.2	Very low	91 Å²	91	147.4 Å²	147.4	75%	0.752	79%	0.788	S	S	*	*			trans	-148.8	58.8	155.4	0	0	0	0	0	113.1
475	H	25.9	Very low	29.5	Very low	166 Å²	166	152 Å²	152	77%	0.769	79%	0.79	S	S	*	*			trans	-153.3	86.9	175	-96	-68.3	0	0	0	113.1
476	F	27	Very low	29.9	Very low	206 Å²	206	152.2 Å²	152.2	90%	0.904	79%	0.793	S	S	*	*	S	Bend	trans	-146.7	-9.3	156.3	-100.7	-70.6	0	0	0	115.3
477	D	28	Very low	30.7	Very low	152 Å²	152	149.2 Å²	149.2	81%	0.813	79%	0.785	S	S	*	*	S	Bend	trans	-95.8	3.6	-170.9	-69.5	-50.1	0	0	0	117.1
478	V	29.5	Very low	32	Very low	119 Å²	119	145.1 Å²	145.1	72%	0.721	77%	0.767	S	S	*	*	S	Bend	trans	-114.8	-10.7	-166.1	-175.3	0	0	0	0	115.4
479	I	26.8	Very low	33.7	Very low	155 Å²	155	144 Å²	144	80%	0.795	75%	0.749	S	S	*	*	S	Bend	trans	-103.5	-20.6	-172.5	-64.7	178.9	0	0	0	114.2	V481	I479-V481 VanDerWaalsContact C-N 3.29Å; I479-V481 PolarHBondContact O-N 2.89Å
480	A	28.6	Very low	35.4	Very low	81 Å²	81	141.8 Å²	141.8	67%	0.669	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	-11.8	-178.5	0	0	0	0	0	115.2
481	V	32.1	Very low	37.3	Very low	125 Å²	125	137.7 Å²	137.7	76%	0.758	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-12.1	-166.5	176.9	0	0	0	0	113.9	I479	I479-V481 VanDerWaalsContact C-N 3.29Å; I479-V481 PolarHBondContact O-N 2.89Å
482	R	27.1	Very low	39.3	Very low	234 Å²	234	133.7 Å²	133.7	88%	0.883	69%	0.685	S	S	*	*	S	Bend	trans	-106.6	-7.3	-161.2	-126.8	171.3	-177.8	167	-0.5	118.7
483	V	29	Very low	42	Very low	139 Å²	139	129 Å²	129	84%	0.842	67%	0.665	S	S	*	*			trans	-145.3	61	173.5	-160.8	0	0	0	0	113.1
484	M	31.1	Very low	44.8	Very low	167 Å²	167	120.4 Å²	120.4	82%	0.823	64%	0.637	S	S	*	*			trans	-103	101.4	160	-75.4	-164.5	178.8	0	0	109.9	M486	M484-M486 PolarHBondContact O-N 3.01Å
485	K	35.8	Very low	47.2	Very low	193 Å²	193	122 Å²	122	84%	0.839	63%	0.628	S	S	*	*			trans	-53.3	128.2	158.6	-93.8	-177.5	173	178.4	0	107.2	V487	K485-V487 PolarHBondContact O-N 3.37Å
486	M	39.6	Very low	49.8	Very low	177 Å²	177	115.9 Å²	115.9	87%	0.872	60%	0.601	S	S	*	*			trans	-60.8	103.2	173.2	-75.7	-169.8	178.1	0	0	109	M484 T488	M484-M486 PolarHBondContact O-N 3.01Å; M486-T488 WeakPolarHBondContact O-CG2 3.42Å; M486-T488 PolarHBondContact O-N 3.01Å
487	V	50.9	Low	52.5	Low	83 Å²	83	106.1 Å²	106.1	50%	0.503	56%	0.558	S	S	.	*			trans	-64	105.2	173.1	-179.5	0	0	0	0	107.4	K485 D491	K485-V487 PolarHBondContact O-N 3.37Å; V487-D491 HydrophobicContact CG1-CB 3.8Å
488	T	57.7	Low	55.1	Low	72 Å²	72	99.5 Å²	99.5	44%	0.442	52%	0.523	S	S	.	.			trans	-81.6	170.1	175.3	73.5	0	0	0	0	109.9	M486 E490 D491	M486-T488 WeakPolarHBondContact O-CG2 3.42Å; M486-T488 PolarHBondContact O-N 3.01Å; T488-E490 PolarHBondContact O-N 3.13Å; T488-E490 VanDerWaalsContact O-N 3.17Å; T488-E490 PolarHBondContact OG1-N 3.4Å; T488-D491 WeakPolarHBondContact CA-OD2 3.49Å; T488-D491 WeakPolarHBondContact CB-OD2 3.27Å; T488-D491 PolarHBondContact N-OD2 3.45Å; T488-D491 WeakPolarHBondContact O-CB 3.22Å; T488-D491 PolarHBondContact O-N 3.45Å; T488-D491 PolarHBondContact OG1-OD2 3.49Å
489	V	64.9	Low	57.5	Low	37 Å²	37	95.8 Å²	95.8	22%	0.224	50%	0.498	C	S	.	.	G	3₁₀ helix	trans	-63.2	-20.5	173.6	-179.1	0	0	0	0	111.8	M437 A441 D491 F492 L497 W520	M437-V489 HydrophobicContact CE-CG1 3.57Å; M437-V489 HydrophobicContact SD-CG1 4.11Å; A441-V489 HydrophobicContact CB-CG2 4.25Å; V489-D491 VanDerWaalsContact C-N 3.31Å; V489-F492 HydrophobicContact CG1-CD2 4.44Å; V489-L497 HydrophobicContact CG1-CD2 4.09Å; V489-W520 HydrophobicContact CG1-CZ2 3.66Å
490	E	66.7	Low	60.2	Low	87 Å²	87	88.4 Å²	88.4	41%	0.407	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-77.8	-14.2	174.3	-61	-57	150.6	0	0	113.2	T488 R519 W520	T488-E490 PolarHBondContact O-N 3.13Å; T488-E490 VanDerWaalsContact O-N 3.17Å; T488-E490 PolarHBondContact OG1-N 3.4Å; E490-R519 PolarHBondContact O-NH1 2.9Å; E490-R519 IonicContact OE2-NH1 2.76Å; E490-R519 PolarHBondContact OE2-NH1 3.09Å; E490-W520 PolarHBondContact OE1-NE1 3.09Å; E490-W520 VanDerWaalsContact OE1-NE1 3.12Å
491	D	70.2	Confident	62.9	Low	98 Å²	98	84.5 Å²	84.5	52%	0.524	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-87.3	-8.2	176.8	-60	-72.9	0	0	0	112.8	V487 T488 V489	V487-D491 HydrophobicContact CG1-CB 3.8Å; T488-D491 WeakPolarHBondContact CA-OD2 3.49Å; T488-D491 WeakPolarHBondContact CB-OD2 3.27Å; T488-D491 PolarHBondContact N-OD2 3.45Å; T488-D491 WeakPolarHBondContact O-CB 3.22Å; T488-D491 PolarHBondContact O-N 3.45Å; T488-D491 PolarHBondContact OG1-OD2 3.49Å; V489-D491 VanDerWaalsContact C-N 3.31Å
492	F	75.3	Confident	65.2	Low	19 Å²	19	79.2 Å²	79.2	8%	0.083	40%	0.397	C	S	.	.	S	Bend	trans	-69.6	139	176.8	-83.9	-36.8	0	0	0	112.6	A441 V445 V489 I496 L497 I500 R519	A441-F492 HydrophobicContact CB-CE2 3.99Å; V445-F492 HydrophobicContact CB-CZ 4.41Å; V445-F492 HydrophobicContact CG2-CE1 4.03Å; V445-F492 HydrophobicContact CG2-CE2 4.02Å; V445-F492 HydrophobicContact CG2-CZ 3.37Å; V489-F492 HydrophobicContact CG1-CD2 4.44Å; F492-I496 HydrophobicContact CD1-CG2 4.28Å; F492-I496 HydrophobicContact CE1-CG2 4.46Å; F492-I496 HydrophobicContact CG-CG2 4.35Å; F492-L497 HydrophobicContact CB-CD1 4.5Å; F492-L497 HydrophobicContact CB-CD2 4Å; F492-L497 HydrophobicContact CB-CG 3.96Å; F492-L497 HydrophobicContact CD2-CD2 4.05Å; F492-I500 HydrophobicContact CD2-CD1 4.22Å; F492-I500 HydrophobicContact CE2-CD1 3.97Å; F492-R519 PolarHBondContact O-NH2 2.82Å
493	P	83.5	Confident	67.7	Low	64 Å²	64	73.4 Å²	73.4	42%	0.416	38%	0.378	S	S	.	.			trans	-59.8	144.9	168.9	-25.1	35	0	0	0	113	H495 I496 L497	P493-H495 WeakPolarHBondContact CB-CE1 3.46Å; P493-H495 WeakPolarHBondContact CB-ND1 3.19Å; P493-H495 PolarHBondContact O-N 3.3Å; P493-I496 HydrophobicContact CB-CG1 4.41Å; P493-I496 HydrophobicContact CG-CG1 4.49Å; P493-I496 PolarHBondContact O-N 3.41Å; P493-L497 PolarHBondContact O-N 2.73Å
494	D	83.1	Confident	70.1	Confident	63 Å²	63	67.1 Å²	67.1	34%	0.337	34%	0.34	S	S	.	.	H	α-helix	trans	-54.5	-30.9	-178.7	-83.1	12	0	0	0	113.9	E498 R519 M523	D494-E498 VanDerWaalsContact O-CB 3.27Å; D494-E498 WeakPolarHBondContact O-CB 3.24Å; D494-E498 PolarHBondContact O-N 3.13Å; D494-R519 IonicContact OD1-CZ 3.58Å; D494-R519 VanDerWaalsContact OD1-CZ 3.32Å; D494-R519 IonicContact OD1-NE 3.47Å; D494-R519 PolarHBondContact OD1-NE 2.98Å; D494-R519 IonicContact OD1-NH2 2.86Å; D494-R519 PolarHBondContact OD1-NH2 3.18Å; D494-M523 HydrophobicContact CB-CE 4.3Å; D494-M523 HydrophobicContact CB-SD 3.64Å; D494-M523 VanDerWaalsContact CG-SD 3.6Å; D494-M523 WeakPolarHBondContact OD2-CE 3.35Å
495	H	78.8	Confident	72.3	Confident	124 Å²	124	59.6 Å²	59.6	57%	0.574	30%	0.304	S	S	*	.	H	α-helix	trans	-71.4	-32.4	177.6	66.7	-98.2	0	0	0	113.2	P493 L499	P493-H495 WeakPolarHBondContact CB-CE1 3.46Å; P493-H495 WeakPolarHBondContact CB-ND1 3.19Å; P493-H495 PolarHBondContact O-N 3.3Å; H495-L499 WeakPolarHBondContact O-CB 3.37Å; H495-L499 PolarHBondContact O-N 3.47Å; H495-L499 VanDerWaalsContact O-N 3.11Å
496	I	80.7	Confident	74.4	Confident	39 Å²	39	51.5 Å²	51.5	20%	0.2	27%	0.271	C	S	.	.	H	α-helix	trans	-72.7	-42.7	174	-58.6	-59.9	0	0	0	109.8	Y444 F492 P493 E498 L499 I500	Y444-I496 HydrophobicContact CD1-CG2 4.37Å; Y444-I496 HydrophobicContact CG-CG2 4.41Å; F492-I496 HydrophobicContact CD1-CG2 4.28Å; F492-I496 HydrophobicContact CE1-CG2 4.46Å; F492-I496 HydrophobicContact CG-CG2 4.35Å; P493-I496 HydrophobicContact CB-CG1 4.41Å; P493-I496 HydrophobicContact CG-CG1 4.49Å; P493-I496 PolarHBondContact O-N 3.41Å; I496-E498 PolarHBondContact O-N 2.7Å; I496-L499 PolarHBondContact O-N 2.98Å; I496-I500 HydrophobicContact CG2-CD1 3.87Å; I496-I500 HydrophobicContact CG2-CG1 4.47Å; I496-I500 WeakPolarHBondContact O-CG1 3.47Å; I496-I500 PolarHBondContact O-N 3Å
497	L	82.5	Confident	76.4	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.2	-45.4	173.8	-67.8	175.7	0	0	0	111.4	M437 V489 F492 P493 L499 I500 F501	M437-L497 HydrophobicContact CE-CD2 3.69Å; V489-L497 HydrophobicContact CG1-CD2 4.09Å; F492-L497 HydrophobicContact CB-CD1 4.5Å; F492-L497 HydrophobicContact CB-CD2 4Å; F492-L497 HydrophobicContact CB-CG 3.96Å; F492-L497 HydrophobicContact CD2-CD2 4.05Å; P493-L497 PolarHBondContact O-N 2.73Å; L497-L499 VanDerWaalsContact C-N 3.3Å; L497-L499 PolarHBondContact O-N 3.21Å; L497-I500 PolarHBondContact O-N 3.19Å; L497-F501 HydrophobicContact CB-CD2 4.35Å; L497-F501 HydrophobicContact CB-CE2 3.96Å; L497-F501 WeakPolarHBondContact O-CD2 3.3Å; L497-F501 VanDerWaalsContact O-CG 3.32Å; L497-F501 WeakPolarHBondContact O-CG 3.39Å; L497-F501 PolarHBondContact O-N 3.02Å
498	E	82.5	Confident	77.9	Confident	14 Å²	14	41.3 Å²	41.3	7%	0.065	22%	0.222	C	C	.	.	H	α-helix	trans	-59.7	-38.4	176.3	-175.4	166.2	-154.4	0	0	112.5	D494 I496 S502 K526 C527 K530	D494-E498 VanDerWaalsContact O-CB 3.27Å; D494-E498 WeakPolarHBondContact O-CB 3.24Å; D494-E498 PolarHBondContact O-N 3.13Å; I496-E498 PolarHBondContact O-N 2.7Å; E498-S502 PolarHBondContact O-N 3.41Å; E498-S502 VanDerWaalsContact O-N 3.16Å; E498-K526 WeakPolarHBondContact OE1-CD 3.47Å; E498-K526 WeakPolarHBondContact OE1-CE 3.49Å; E498-K526 WeakPolarHBondContact OE1-CG 3.47Å; E498-K526 IonicContact OE1-NZ 3.72Å; E498-K526 VanDerWaalsContact OE2-CE 3.28Å; E498-K526 WeakPolarHBondContact OE2-CE 3.36Å; E498-K526 IonicContact OE2-NZ 2.69Å; E498-K526 PolarHBondContact OE2-NZ 2.74Å; E498-C527 HydrophobicContact CG-CB 4.18Å; E498-C527 PolarHBondContact O-SG 3.4Å; E498-C527 VanDerWaalsContact O-SG 3.38Å; E498-K530 WeakPolarHBondContact OE1-CD 3.3Å; E498-K530 WeakPolarHBondContact OE1-CE 3.23Å; E498-K530 IonicContact OE1-NZ 3.24Å; E498-K530 PolarHBondContact OE1-NZ 3.01Å; E498-K530 IonicContact OE2-NZ 3.43Å; E498-K530 PolarHBondContact OE2-NZ 2.69Å
499	L	80.9	Confident	79.1	Confident	40 Å²	40	39.1 Å²	39.1	21%	0.209	21%	0.207	C	C	.	.	H	α-helix	trans	-67.5	-46.7	173.2	-179	64	0	0	0	112	Y444 H495 I496 L497 F501 S502 F503	Y444-L499 HydrophobicContact CE1-CD2 4.19Å; H495-L499 WeakPolarHBondContact O-CB 3.37Å; H495-L499 PolarHBondContact O-N 3.47Å; H495-L499 VanDerWaalsContact O-N 3.11Å; I496-L499 PolarHBondContact O-N 2.98Å; L497-L499 VanDerWaalsContact C-N 3.3Å; L497-L499 PolarHBondContact O-N 3.21Å; L499-F501 VanDerWaalsContact C-N 3.35Å; L499-F501 PolarHBondContact O-N 2.96Å; L499-S502 WeakPolarHBondContact O-CB 3.37Å; L499-S502 PolarHBondContact O-N 2.91Å; L499-S502 PolarHBondContact O-OG 2.72Å; L499-F503 HydrophobicContact CD1-CE2 3.9Å; L499-F503 HydrophobicContact CD1-CZ 4.41Å; L499-F503 HydrophobicContact CG-CE2 3.99Å; L499-F503 VanDerWaalsContact O-CD2 3.22Å; L499-F503 WeakPolarHBondContact O-CD2 3.32Å
500	I	82.6	Confident	80	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-57.5	-47.4	176	-71.6	163	0	0	0	110.7	M437 L440 A441 Y444 F492 I496 L497 S502 F503	M437-I500 HydrophobicContact CE-CG2 4.22Å; M437-I500 HydrophobicContact CG-CG2 4.21Å; M437-I500 HydrophobicContact SD-CG2 4.48Å; L440-I500 HydrophobicContact CB-CG2 3.94Å; L440-I500 HydrophobicContact CD1-CG2 4.36Å; A441-I500 HydrophobicContact CB-CD1 4.34Å; Y444-I500 HydrophobicContact CD2-CD1 3.79Å; Y444-I500 HydrophobicContact CD2-CG1 3.51Å; Y444-I500 HydrophobicContact CE2-CD1 4.33Å; Y444-I500 HydrophobicContact CE2-CG1 3.54Å; Y444-I500 HydrophobicContact CG-CD1 4.28Å; Y444-I500 HydrophobicContact CG-CG1 4.34Å; F492-I500 HydrophobicContact CD2-CD1 4.22Å; F492-I500 HydrophobicContact CE2-CD1 3.97Å; I496-I500 HydrophobicContact CG2-CD1 3.87Å; I496-I500 HydrophobicContact CG2-CG1 4.47Å; I496-I500 WeakPolarHBondContact O-CG1 3.47Å; I496-I500 PolarHBondContact O-N 3Å; L497-I500 PolarHBondContact O-N 3.19Å; I500-S502 PolarHBondContact O-N 3.47Å; I500-F503 PolarHBondContact O-N 3.35Å
501	F	86.3	Confident	80.9	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62	-30	177.3	-66	-50	0	0	0	112.1	M437 L497 L499 F503 L504 L510 C513 W520 M523 V524 C527	M437-F501 HydrophobicContact CE-CE1 3.95Å; M437-F501 HydrophobicContact CE-CZ 3.94Å; M437-F501 HydrophobicContact CG-CD1 4.35Å; M437-F501 HydrophobicContact CG-CE1 3.81Å; L497-F501 HydrophobicContact CB-CD2 4.35Å; L497-F501 HydrophobicContact CB-CE2 3.96Å; L497-F501 WeakPolarHBondContact O-CD2 3.3Å; L497-F501 VanDerWaalsContact O-CG 3.32Å; L497-F501 WeakPolarHBondContact O-CG 3.39Å; L497-F501 PolarHBondContact O-N 3.02Å; L499-F501 VanDerWaalsContact C-N 3.35Å; L499-F501 PolarHBondContact O-N 2.96Å; F501-F503 PolarHBondContact O-N 2.82Å; F501-L504 HydrophobicContact CD1-CD1 3.94Å; F501-L504 PolarHBondContact O-N 2.72Å; F501-L504 VanDerWaalsContact O-N 3.15Å; F501-L510 HydrophobicContact CB-CD2 4.09Å; F501-L510 HydrophobicContact CD1-CD2 4.36Å; F501-C513 HydrophobicContact CD1-CB 4.28Å; F501-C513 HydrophobicContact CE1-CB 3.81Å; F501-W520 HydrophobicContact CE1-CD2 4.36Å; F501-W520 AromaticContact CE1-CE3 3.95Å; F501-W520 HydrophobicContact CE1-CE3 3.95Å; F501-W520 HydrophobicContact CE1-CZ3 4.42Å; F501-W520 HydrophobicContact CZ-CB 4.16Å; F501-W520 AromaticContact CZ-CD2 3.85Å; F501-W520 HydrophobicContact CZ-CD2 3.85Å; F501-W520 AromaticContact CZ-CE3 3.93Å; F501-W520 HydrophobicContact CZ-CE3 3.93Å; F501-W520 AromaticContact CZ-CG 3.94Å; F501-W520 HydrophobicContact CZ-CG 3.94Å; F501-M523 HydrophobicContact CD2-CB 3.96Å; F501-M523 HydrophobicContact CE2-CB 3.66Å; F501-V524 HydrophobicContact CB-CG2 4.44Å; F501-V524 HydrophobicContact CD1-CG2 3.62Å; F501-V524 HydrophobicContact CD2-CG2 3.86Å; F501-V524 HydrophobicContact CE1-CG2 3.72Å; F501-V524 HydrophobicContact CE2-CG2 3.96Å; F501-V524 HydrophobicContact CG-CG2 3.72Å; F501-V524 HydrophobicContact CZ-CG2 3.9Å; F501-C527 HydrophobicContact CB-CB 4.29Å
502	S	80.8	Confident	81.5	Confident	14 Å²	14	31.7 Å²	31.7	10%	0.098	17%	0.168	C	C	.	.	H	α-helix	trans	-67	-17.5	177.6	81.3	0	0	0	0	114.9	E498 L499 I500	E498-S502 PolarHBondContact O-N 3.41Å; E498-S502 VanDerWaalsContact O-N 3.16Å; L499-S502 WeakPolarHBondContact O-CB 3.37Å; L499-S502 PolarHBondContact O-N 2.91Å; L499-S502 PolarHBondContact O-OG 2.72Å; I500-S502 PolarHBondContact O-N 3.47Å
503	F	78.4	Confident	82	Confident	111 Å²	111	30.8 Å²	30.8	49%	0.487	16%	0.164	S	C	.	.	H	α-helix	trans	-88.2	-17.2	174.6	-69.4	-71	0	0	0	113.9	L440 Y444 L499 I500 F501	L440-F503 HydrophobicContact CD1-CB 3.86Å; L440-F503 HydrophobicContact CD2-CB 4.44Å; Y444-F503 WeakPolarHBondContact OH-CE2 3.31Å; L499-F503 HydrophobicContact CD1-CE2 3.9Å; L499-F503 HydrophobicContact CD1-CZ 4.41Å; L499-F503 HydrophobicContact CG-CE2 3.99Å; L499-F503 VanDerWaalsContact O-CD2 3.22Å; L499-F503 WeakPolarHBondContact O-CD2 3.32Å; I500-F503 PolarHBondContact O-N 3.35Å; F501-F503 PolarHBondContact O-N 2.82Å
504	L	79.5	Confident	82.1	Confident	7 Å²	7	29.6 Å²	29.6	4%	0.037	15%	0.154	C	C	.	.	S	Bend	trans	-75.4	155.4	178.9	-64.7	179.8	0	0	0	111.9	M437 L440 F501 E509 L510	M437-L504 HydrophobicContact CB-CD1 3.93Å; M437-L504 HydrophobicContact CG-CD1 4.25Å; L440-L504 HydrophobicContact CD1-CD2 3.62Å; L440-L504 HydrophobicContact CD1-CG 4.14Å; F501-L504 HydrophobicContact CD1-CD1 3.94Å; F501-L504 PolarHBondContact O-N 2.72Å; F501-L504 VanDerWaalsContact O-N 3.15Å; L504-E509 HydrophobicContact CB-CB 4.19Å; L504-L510 HydrophobicContact CB-CD2 3.76Å; L504-L510 HydrophobicContact CB-CG 4.29Å; L504-L510 HydrophobicContact CD1-CD2 4.05Å; L504-L510 HydrophobicContact CG-CD2 4.49Å
505	S	78.6	Confident	82.2	Confident	10 Å²	10	32 Å²	32	7%	0.07	17%	0.174	C	C	.	.			trans	-66.2	127.8	177.1	-163	0	0	0	0	110.8	Y507 E509 L510 L594 T595	S505-Y507 PolarHBondContact O-N 3.05Å; S505-E509 VanDerWaalsContact CB-OE2 3.27Å; S505-E509 WeakPolarHBondContact CB-OE2 3.39Å; S505-E509 PolarHBondContact N-OE2 3.22Å; S505-L510 PolarHBondContact O-N 2.91Å; S505-L594 PolarHBondContact OG-O 3.08Å; S505-T595 WeakPolarHBondContact OG-CA 3.39Å; S505-T595 PolarHBondContact OG-O 2.94Å
506	P	78.8	Confident	82.4	Confident	22 Å²	22	28.8 Å²	28.8	14%	0.143	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	0.2	-171.8	29.6	-36.2	0	0	0	114.2	L510 R920	P506-L510 HydrophobicContact CB-CD1 4.4Å; P506-R920 HydrophobicContact CB-CB 4.39Å; P506-R920 HydrophobicContact CB-CG 4.34Å; P506-R920 VanDerWaalsContact CB-O 3.26Å; P506-R920 WeakPolarHBondContact CB-O 3.47Å; P506-R920 HydrophobicContact CG-CB 4.43Å; P506-R920 WeakPolarHBondContact CG-O 3.1Å; P506-R920 WeakPolarHBondContact O-CD 3.47Å; P506-R920 PolarHBondContact O-NE 2.8Å; P506-R920 PolarHBondContact O-NH1 2.93Å
507	Y	82.2	Confident	82.7	Confident	10 Å²	10	29 Å²	29	4%	0.039	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-128	174.9	-47	-87.5	0	0	0	109.2	S505 E509 L510 D511 L594 T595 G919 R920 E922	S505-Y507 PolarHBondContact O-N 3.05Å; Y507-E509 PolarHBondContact O-N 3.21Å; Y507-L510 PolarHBondContact O-N 2.87Å; Y507-D511 PolarHBondContact O-N 2.92Å; Y507-D511 VanDerWaalsContact O-OD2 3.13Å; Y507-L594 HydrophobicContact CD1-CB 4.33Å; Y507-L594 HydrophobicContact CD2-CB 3.8Å; Y507-L594 HydrophobicContact CE1-CB 3.96Å; Y507-L594 HydrophobicContact CE1-CD1 3.83Å; Y507-L594 HydrophobicContact CE2-CB 3.42Å; Y507-L594 VanDerWaalsContact CE2-CB 3.42Å; Y507-L594 HydrophobicContact CE2-CG 4.48Å; Y507-L594 HydrophobicContact CG-CB 4.26Å; Y507-L594 VanDerWaalsContact CZ-CB 3.49Å; Y507-T595 VanDerWaalsContact CB-OG1 3.31Å; Y507-T595 WeakPolarHBondContact CB-OG1 3.18Å; Y507-G919 VanDerWaalsContact OH-CA 3.25Å; Y507-G919 WeakPolarHBondContact OH-CA 3.38Å; Y507-R920 HydrophobicContact CD1-CB 4.01Å; Y507-R920 HydrophobicContact CE1-CB 3.54Å; Y507-R920 PolarHBondContact OH-N 3.22Å; Y507-E922 VanDerWaalsContact CE2-OE1 3.27Å; Y507-E922 WeakPolarHBondContact CE2-OE1 3.23Å; Y507-E922 PolarHBondContact OH-OE1 2.75Å
508	A	82	Confident	82.8	Confident	36 Å²	36	37.6 Å²	37.6	30%	0.298	21%	0.205	S	C	.	.	H	α-helix	trans	-65.5	-9.1	-169.6	0	0	0	0	0	115.5	H431 A512 T595	H431-A508 PolarHBondContact CE1-O 3.4Å; A508-A512 WeakPolarHBondContact O-CB 3.45Å; A508-A512 PolarHBondContact O-N 3.34Å; A508-T595 HydrophobicContact CB-CG2 3.96Å; A508-T595 PolarHBondContact N-OG1 2.89Å
509	E	83.5	Confident	83.1	Confident	27 Å²	27	40.2 Å²	40.2	13%	0.126	21%	0.214	C	C	.	.	H	α-helix	trans	-78.6	-46.6	173.1	-65	-165.6	135.7	0	0	112.5	S436 L504 S505 Y507 A512 C513 T595	S436-E509 VanDerWaalsContact CB-OE1 3.22Å; S436-E509 WeakPolarHBondContact CB-OE1 3.46Å; S436-E509 PolarHBondContact OG-OE1 2.91Å; L504-E509 HydrophobicContact CB-CB 4.19Å; S505-E509 VanDerWaalsContact CB-OE2 3.27Å; S505-E509 WeakPolarHBondContact CB-OE2 3.39Å; S505-E509 PolarHBondContact N-OE2 3.22Å; Y507-E509 PolarHBondContact O-N 3.21Å; E509-A512 WeakPolarHBondContact O-CB 3.48Å; E509-A512 PolarHBondContact O-N 2.95Å; E509-C513 PolarHBondContact O-N 3.43Å; E509-C513 VanDerWaalsContact O-N 3.16Å; E509-C513 PolarHBondContact O-SG 3.27Å; E509-T595 HydrophobicContact CG-CG2 3.96Å
510	L	83.7	Confident	83.5	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-68	-38.5	173.3	-73.3	-168	0	0	0	111.8	F501 L504 S505 P506 Y507 A512 C513 M514 V524 C528	F501-L510 HydrophobicContact CB-CD2 4.09Å; F501-L510 HydrophobicContact CD1-CD2 4.36Å; L504-L510 HydrophobicContact CB-CD2 3.76Å; L504-L510 HydrophobicContact CB-CG 4.29Å; L504-L510 HydrophobicContact CD1-CD2 4.05Å; L504-L510 HydrophobicContact CG-CD2 4.49Å; S505-L510 PolarHBondContact O-N 2.91Å; P506-L510 HydrophobicContact CB-CD1 4.4Å; Y507-L510 PolarHBondContact O-N 2.87Å; L510-A512 VanDerWaalsContact C-N 3.29Å; L510-A512 PolarHBondContact O-N 2.98Å; L510-C513 PolarHBondContact O-N 3.25Å; L510-C513 VanDerWaalsContact O-N 3.13Å; L510-M514 PolarHBondContact O-N 2.81Å; L510-V524 HydrophobicContact CB-CG1 3.81Å; L510-V524 HydrophobicContact CD1-CG1 4.27Å; L510-V524 HydrophobicContact CD2-CG1 3.94Å; L510-V524 HydrophobicContact CD2-CG2 4.34Å; L510-V524 HydrophobicContact CG-CG1 4.22Å; L510-C528 VanDerWaalsContact CD1-SG 3.6Å
511	D	84.5	Confident	83.8	Confident	62 Å²	62	43 Å²	43	33%	0.332	22%	0.223	S	C	.	.	H	α-helix	trans	-62.4	-37.7	176	-57.1	-36.6	0	0	0	111.2	Y507 C513 M514 R920	Y507-D511 PolarHBondContact O-N 2.92Å; Y507-D511 VanDerWaalsContact O-OD2 3.13Å; D511-C513 PolarHBondContact O-N 2.92Å; D511-M514 PolarHBondContact O-N 2.89Å; D511-M514 VanDerWaalsContact OD1-CE 3.23Å; D511-M514 WeakPolarHBondContact OD1-CE 3.36Å; D511-R920 VanDerWaalsContact CG-NH1 3.26Å; D511-R920 IonicContact OD1-CZ 2.91Å; D511-R920 IonicContact OD1-NH1 3.59Å; D511-R920 PolarHBondContact OD1-NH1 2.73Å; D511-R920 IonicContact OD1-NH2 2.79Å; D511-R920 PolarHBondContact OD1-NH2 3.01Å; D511-R920 IonicContact OD2-NH1 3.87Å; D511-R920 PolarHBondContact OD2-NH1 3.07Å
512	A	83.7	Confident	83.9	Confident	2 Å²	2	48.5 Å²	48.5	2%	0.017	25%	0.248	C	C	.	.	H	α-helix	trans	-61.3	-43.2	171.4	0	0	0	0	0	113.3	H431 I434 A508 E509 L510 M514 C515	H431-A512 HydrophobicContact CB-CB 4.36Å; H431-A512 VanDerWaalsContact CE1-CB 3.42Å; H431-A512 WeakPolarHBondContact CE1-CB 3.39Å; H431-A512 VanDerWaalsContact ND1-CB 3.32Å; H431-A512 WeakPolarHBondContact ND1-CB 3.42Å; I434-A512 HydrophobicContact CG1-CB 4.39Å; A508-A512 WeakPolarHBondContact O-CB 3.45Å; A508-A512 PolarHBondContact O-N 3.34Å; E509-A512 WeakPolarHBondContact O-CB 3.48Å; E509-A512 PolarHBondContact O-N 2.95Å; L510-A512 VanDerWaalsContact C-N 3.29Å; L510-A512 PolarHBondContact O-N 2.98Å; A512-M514 VanDerWaalsContact C-N 3.29Å; A512-M514 PolarHBondContact O-N 2.88Å; A512-C515 WeakPolarHBondContact O-CB 3.39Å; A512-C515 PolarHBondContact O-N 3.07Å; A512-C515 VanDerWaalsContact O-N 3.14Å
513	C	85.3	Confident	84.2	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66.9	-32	-178.9	-67.7	0	0	0	0	111.8	F501 E509 L510 D511 C515 V516 W520 V524	F501-C513 HydrophobicContact CD1-CB 4.28Å; F501-C513 HydrophobicContact CE1-CB 3.81Å; E509-C513 PolarHBondContact O-N 3.43Å; E509-C513 VanDerWaalsContact O-N 3.16Å; E509-C513 PolarHBondContact O-SG 3.27Å; L510-C513 PolarHBondContact O-N 3.25Å; L510-C513 VanDerWaalsContact O-N 3.13Å; D511-C513 PolarHBondContact O-N 2.92Å; C513-C515 PolarHBondContact O-N 2.91Å; C513-V516 PolarHBondContact O-N 2.8Å; C513-W520 HydrophobicContact CB-CE3 3.94Å; C513-W520 HydrophobicContact CB-CZ3 4.39Å; C513-W520 WeakPolarHBondContact O-CB 3.31Å; C513-V524 HydrophobicContact CB-CG2 3.76Å
514	M	85.9	Confident	84.6	Confident	40 Å²	40	43.3 Å²	43.3	20%	0.197	22%	0.224	C	C	.	.	H	α-helix	trans	-63.1	-24.3	172.9	-75.9	-171.7	-91.1	0	0	113.3	L510 D511 A512 Y521 V524	L510-M514 PolarHBondContact O-N 2.81Å; D511-M514 PolarHBondContact O-N 2.89Å; D511-M514 VanDerWaalsContact OD1-CE 3.23Å; D511-M514 WeakPolarHBondContact OD1-CE 3.36Å; A512-M514 VanDerWaalsContact C-N 3.29Å; A512-M514 PolarHBondContact O-N 2.88Å; M514-Y521 HydrophobicContact CB-CD2 4.07Å; M514-Y521 HydrophobicContact CG-CD2 4.25Å; M514-Y521 HydrophobicContact SD-CD2 4.48Å; M514-V524 HydrophobicContact CE-CG1 3.85Å; M514-V524 HydrophobicContact CG-CB 3.71Å; M514-V524 HydrophobicContact CG-CG1 3.51Å; M514-V524 HydrophobicContact CG-CG2 4.43Å; M514-V524 HydrophobicContact SD-CB 4.5Å; M514-V524 HydrophobicContact SD-CG1 3.94Å
515	C	85	Confident	85	Confident	113 Å²	113	46.7 Å²	46.7	76%	0.764	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-2.7	178.3	-62	0	0	0	0	114.8	A512 C513	A512-C515 WeakPolarHBondContact O-CB 3.39Å; A512-C515 PolarHBondContact O-N 3.07Å; A512-C515 VanDerWaalsContact O-N 3.14Å; C513-C515 PolarHBondContact O-N 2.91Å
516	V	83.8	Confident	85.5	Confident	57 Å²	57	50.1 Å²	50.1	35%	0.345	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-54.4	-172.4	176	0	0	0	0	112.8	I434 C513 W520	I434-V516 HydrophobicContact CD1-CG2 3.71Å; I434-V516 HydrophobicContact CG1-CG2 3.78Å; C513-V516 PolarHBondContact O-N 2.8Å; V516-W520 HydrophobicContact CB-CB 4.49Å; V516-W520 HydrophobicContact CB-CD2 3.92Å; V516-W520 HydrophobicContact CB-CE3 3.64Å; V516-W520 HydrophobicContact CB-CG 4.34Å; V516-W520 HydrophobicContact CB-CZ3 4.11Å; V516-W520 HydrophobicContact CG1-CD2 3.87Å; V516-W520 HydrophobicContact CG1-CE3 3.88Å; V516-W520 HydrophobicContact CG1-CG 4.43Å; V516-W520 HydrophobicContact CG1-CH2 4.24Å; V516-W520 HydrophobicContact CG1-CZ2 4.2Å; V516-W520 HydrophobicContact CG1-CZ3 4.09Å; V516-W520 HydrophobicContact CG2-CD2 4.44Å; V516-W520 HydrophobicContact CG2-CE3 3.67Å; V516-W520 HydrophobicContact CG2-CZ3 3.74Å
517	C	85.5	Confident	85.8	Confident	43 Å²	43	49.1 Å²	49.1	29%	0.291	25%	0.245	S	C	.	.			trans	-158.7	166.2	177.6	77.4	0	0	0	0	110.8	R519 W520 Y521	C517-R519 PolarHBondContact O-N 3.33Å; C517-W520 PolarHBondContact O-N 2.82Å; C517-W520 PolarHBondContact SG-N 2.83Å; C517-W520 VanDerWaalsContact SG-N 3.41Å; C517-Y521 PolarHBondContact O-N 2.78Å
518	K	86.3	Confident	85.9	Confident	180 Å²	180	49.4 Å²	49.4	78%	0.783	25%	0.249	S	C	*	.	H	α-helix	trans	-54.5	-39.9	178.7	-69.3	-174.3	179.9	179.3	0	112.1	Y521 H522	K518-Y521 WeakPolarHBondContact O-CB 3.48Å; K518-Y521 PolarHBondContact O-N 3.4Å; K518-H522 PolarHBondContact O-N 3.4Å; K518-H522 VanDerWaalsContact O-N 3.13Å; K518-H522 PolarHBondContact O-ND1 3.4Å
519	R	88.9	Confident	86	Confident	69 Å²	69	55.5 Å²	55.5	26%	0.26	26%	0.264	S	S	.	.	H	α-helix	trans	-66.2	-47.2	-178.9	-174.6	179.2	175.8	-154.8	6.5	112.3	E490 F492 D494 C517 Y521 H522 M523	E490-R519 PolarHBondContact O-NH1 2.9Å; E490-R519 IonicContact OE2-NH1 2.76Å; E490-R519 PolarHBondContact OE2-NH1 3.09Å; F492-R519 PolarHBondContact O-NH2 2.82Å; D494-R519 IonicContact OD1-CZ 3.58Å; D494-R519 VanDerWaalsContact OD1-CZ 3.32Å; D494-R519 IonicContact OD1-NE 3.47Å; D494-R519 PolarHBondContact OD1-NE 2.98Å; D494-R519 IonicContact OD1-NH2 2.86Å; D494-R519 PolarHBondContact OD1-NH2 3.18Å; C517-R519 PolarHBondContact O-N 3.33Å; R519-Y521 VanDerWaalsContact C-N 3.32Å; R519-Y521 PolarHBondContact O-N 3.34Å; R519-H522 PolarHBondContact O-N 3.41Å; R519-M523 PolarHBondContact O-N 3.46Å
520	W	88.2	Confident	86.1	Confident	7 Å²	7	58.2 Å²	58.2	3%	0.027	28%	0.275	C	S	.	.	H	α-helix	trans	-62.6	-40.2	176.6	-70.6	35.5	0	0	0	111.2	M437 V489 E490 F501 C513 V516 C517 H522 M523 V524	M437-W520 HydrophobicContact CB-CZ3 4.3Å; M437-W520 HydrophobicContact CE-CH2 3.76Å; M437-W520 HydrophobicContact CE-CZ2 3.77Å; M437-W520 HydrophobicContact CE-CZ3 4.18Å; M437-W520 HydrophobicContact CG-CH2 3.89Å; M437-W520 HydrophobicContact CG-CZ3 3.75Å; M437-W520 HydrophobicContact SD-CH2 3.39Å; M437-W520 WeakPolarHBondContact SD-CH2 3.18Å; M437-W520 HydrophobicContact SD-CZ2 3.94Å; M437-W520 HydrophobicContact SD-CZ3 3.91Å; V489-W520 HydrophobicContact CG1-CZ2 3.66Å; E490-W520 PolarHBondContact OE1-NE1 3.09Å; E490-W520 VanDerWaalsContact OE1-NE1 3.12Å; F501-W520 HydrophobicContact CE1-CD2 4.36Å; F501-W520 AromaticContact CE1-CE3 3.95Å; F501-W520 HydrophobicContact CE1-CE3 3.95Å; F501-W520 HydrophobicContact CE1-CZ3 4.42Å; F501-W520 HydrophobicContact CZ-CB 4.16Å; F501-W520 AromaticContact CZ-CD2 3.85Å; F501-W520 HydrophobicContact CZ-CD2 3.85Å; F501-W520 AromaticContact CZ-CE3 3.93Å; F501-W520 HydrophobicContact CZ-CE3 3.93Å; F501-W520 AromaticContact CZ-CG 3.94Å; F501-W520 HydrophobicContact CZ-CG 3.94Å; C513-W520 HydrophobicContact CB-CE3 3.94Å; C513-W520 HydrophobicContact CB-CZ3 4.39Å; C513-W520 WeakPolarHBondContact O-CB 3.31Å; V516-W520 HydrophobicContact CB-CB 4.49Å; V516-W520 HydrophobicContact CB-CD2 3.92Å; V516-W520 HydrophobicContact CB-CE3 3.64Å; V516-W520 HydrophobicContact CB-CG 4.34Å; V516-W520 HydrophobicContact CB-CZ3 4.11Å; V516-W520 HydrophobicContact CG1-CD2 3.87Å; V516-W520 HydrophobicContact CG1-CE3 3.88Å; V516-W520 HydrophobicContact CG1-CG 4.43Å; V516-W520 HydrophobicContact CG1-CH2 4.24Å; V516-W520 HydrophobicContact CG1-CZ2 4.2Å; V516-W520 HydrophobicContact CG1-CZ3 4.09Å; V516-W520 HydrophobicContact CG2-CD2 4.44Å; V516-W520 HydrophobicContact CG2-CE3 3.67Å; V516-W520 HydrophobicContact CG2-CZ3 3.74Å; C517-W520 PolarHBondContact O-N 2.82Å; C517-W520 PolarHBondContact SG-N 2.83Å; C517-W520 VanDerWaalsContact SG-N 3.41Å; W520-H522 PolarHBondContact O-N 3.45Å; W520-M523 PolarHBondContact O-N 3.1Å; W520-V524 WeakPolarHBondContact O-CB 3.25Å; W520-V524 VanDerWaalsContact O-CG2 3.27Å; W520-V524 WeakPolarHBondContact O-CG2 3.19Å; W520-V524 PolarHBondContact O-N 3.14Å
521	Y	88.9	Confident	85.9	Confident	92 Å²	92	59.4 Å²	59.4	36%	0.361	28%	0.282	S	S	.	.	H	α-helix	trans	-53.9	-49.3	172.5	174.5	-92.2	0	0	0	112.2	M514 C517 K518 R519 K525	M514-Y521 HydrophobicContact CB-CD2 4.07Å; M514-Y521 HydrophobicContact CG-CD2 4.25Å; M514-Y521 HydrophobicContact SD-CD2 4.48Å; C517-Y521 PolarHBondContact O-N 2.78Å; K518-Y521 WeakPolarHBondContact O-CB 3.48Å; K518-Y521 PolarHBondContact O-N 3.4Å; R519-Y521 VanDerWaalsContact C-N 3.32Å; R519-Y521 PolarHBondContact O-N 3.34Å; Y521-K525 HydrophobicContact CE1-CD 3.94Å; Y521-K525 WeakPolarHBondContact O-CB 3.29Å; Y521-K525 PolarHBondContact O-N 3.4Å; Y521-K525 PolarHBondContact OH-NZ 3.42Å
522	H	88.2	Confident	85.8	Confident	115 Å²	115	60 Å²	60	53%	0.532	28%	0.282	S	S	.	.	H	α-helix	trans	-65.7	-43.2	178.7	-71.9	86.9	0	0	0	112.3	K518 R519 W520 K525 K526	K518-H522 PolarHBondContact O-N 3.4Å; K518-H522 VanDerWaalsContact O-N 3.13Å; K518-H522 PolarHBondContact O-ND1 3.4Å; R519-H522 PolarHBondContact O-N 3.41Å; W520-H522 PolarHBondContact O-N 3.45Å; H522-K525 PolarHBondContact O-N 3.44Å; H522-K526 WeakPolarHBondContact O-CB 3.34Å; H522-K526 PolarHBondContact O-N 3.22Å
523	M	87.2	Confident	85.9	Confident	17 Å²	17	65.4 Å²	65.4	8%	0.084	31%	0.306	C	S	.	.	H	α-helix	trans	-67.4	-43.8	179.7	-72.9	-55.7	109.5	0	0	113.1	D494 F501 R519 W520 K526 C527	D494-M523 HydrophobicContact CB-CE 4.3Å; D494-M523 HydrophobicContact CB-SD 3.64Å; D494-M523 VanDerWaalsContact CG-SD 3.6Å; D494-M523 WeakPolarHBondContact OD2-CE 3.35Å; F501-M523 HydrophobicContact CD2-CB 3.96Å; F501-M523 HydrophobicContact CE2-CB 3.66Å; R519-M523 PolarHBondContact O-N 3.46Å; W520-M523 PolarHBondContact O-N 3.1Å; M523-K526 HydrophobicContact CE-CD 4.34Å; M523-K526 PolarHBondContact O-N 2.6Å; M523-K526 HydrophobicContact SD-CD 4.4Å; M523-C527 WeakPolarHBondContact O-CB 3.28Å; M523-C527 PolarHBondContact O-N 3.45Å
524	V	87.6	Confident	85.8	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-64.5	-42.2	175.5	174.1	0	0	0	0	110.6	F501 L510 C513 M514 W520 K526 C527 C528	F501-V524 HydrophobicContact CB-CG2 4.44Å; F501-V524 HydrophobicContact CD1-CG2 3.62Å; F501-V524 HydrophobicContact CD2-CG2 3.86Å; F501-V524 HydrophobicContact CE1-CG2 3.72Å; F501-V524 HydrophobicContact CE2-CG2 3.96Å; F501-V524 HydrophobicContact CG-CG2 3.72Å; F501-V524 HydrophobicContact CZ-CG2 3.9Å; L510-V524 HydrophobicContact CB-CG1 3.81Å; L510-V524 HydrophobicContact CD1-CG1 4.27Å; L510-V524 HydrophobicContact CD2-CG1 3.94Å; L510-V524 HydrophobicContact CD2-CG2 4.34Å; L510-V524 HydrophobicContact CG-CG1 4.22Å; C513-V524 HydrophobicContact CB-CG2 3.76Å; M514-V524 HydrophobicContact CE-CG1 3.85Å; M514-V524 HydrophobicContact CG-CB 3.71Å; M514-V524 HydrophobicContact CG-CG1 3.51Å; M514-V524 HydrophobicContact CG-CG2 4.43Å; M514-V524 HydrophobicContact SD-CB 4.5Å; M514-V524 HydrophobicContact SD-CG1 3.94Å; W520-V524 WeakPolarHBondContact O-CB 3.25Å; W520-V524 VanDerWaalsContact O-CG2 3.27Å; W520-V524 WeakPolarHBondContact O-CG2 3.19Å; W520-V524 PolarHBondContact O-N 3.14Å; V524-K526 VanDerWaalsContact C-N 3.32Å; V524-K526 PolarHBondContact O-N 2.92Å; V524-C527 PolarHBondContact O-N 3.49Å; V524-C528 WeakPolarHBondContact O-CB 3.47Å; V524-C528 PolarHBondContact O-N 3.13Å; V524-C528 PolarHBondContact O-SG 2.67Å
525	K	88.3	Confident	85.8	Confident	78 Å²	78	65 Å²	65	34%	0.339	30%	0.304	S	S	.	.	H	α-helix	trans	-61.9	-38.5	176.4	-170.4	172.9	-171.1	172.6	0	112.2	Y521 H522 R529	Y521-K525 HydrophobicContact CE1-CD 3.94Å; Y521-K525 WeakPolarHBondContact O-CB 3.29Å; Y521-K525 PolarHBondContact O-N 3.4Å; Y521-K525 PolarHBondContact OH-NZ 3.42Å; H522-K525 PolarHBondContact O-N 3.44Å; K525-R529 VanDerWaalsContact O-CG 3.3Å; K525-R529 WeakPolarHBondContact O-CG 3.42Å; K525-R529 PolarHBondContact O-N 2.84Å; K525-R529 VanDerWaalsContact O-N 3.15Å
526	K	87.3	Confident	85.9	Confident	82 Å²	82	66.5 Å²	66.5	36%	0.357	29%	0.294	S	S	.	.	H	α-helix	trans	-66.3	-47.7	173.6	-173	-167.9	176.7	-157.2	0	111.8	E498 H522 M523 V524 R529 K530	E498-K526 WeakPolarHBondContact OE1-CD 3.47Å; E498-K526 WeakPolarHBondContact OE1-CE 3.49Å; E498-K526 WeakPolarHBondContact OE1-CG 3.47Å; E498-K526 IonicContact OE1-NZ 3.72Å; E498-K526 VanDerWaalsContact OE2-CE 3.28Å; E498-K526 WeakPolarHBondContact OE2-CE 3.36Å; E498-K526 IonicContact OE2-NZ 2.69Å; E498-K526 PolarHBondContact OE2-NZ 2.74Å; H522-K526 WeakPolarHBondContact O-CB 3.34Å; H522-K526 PolarHBondContact O-N 3.22Å; M523-K526 HydrophobicContact CE-CD 4.34Å; M523-K526 PolarHBondContact O-N 2.6Å; M523-K526 HydrophobicContact SD-CD 4.4Å; V524-K526 VanDerWaalsContact C-N 3.32Å; V524-K526 PolarHBondContact O-N 2.92Å; K526-R529 PolarHBondContact O-N 3.04Å; K526-K530 PolarHBondContact O-N 2.78Å; K526-K530 VanDerWaalsContact O-N 3.09Å
527	C	85.5	Confident	86	Confident	0 Å²	0	67 Å²	67	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60	-47.3	176.9	-171.3	0	0	0	0	111.7	E498 F501 M523 V524 R529 K530 L531	E498-C527 HydrophobicContact CG-CB 4.18Å; E498-C527 PolarHBondContact O-SG 3.4Å; E498-C527 VanDerWaalsContact O-SG 3.38Å; F501-C527 HydrophobicContact CB-CB 4.29Å; M523-C527 WeakPolarHBondContact O-CB 3.28Å; M523-C527 PolarHBondContact O-N 3.45Å; V524-C527 PolarHBondContact O-N 3.49Å; C527-R529 VanDerWaalsContact C-N 3.35Å; C527-R529 PolarHBondContact O-N 2.92Å; C527-K530 PolarHBondContact O-N 3.5Å; C527-L531 WeakPolarHBondContact O-CG 3.09Å; C527-L531 PolarHBondContact O-N 2.87Å
528	C	84.4	Confident	85.9	Confident	16 Å²	16	65.8 Å²	65.8	11%	0.108	28%	0.283	C	S	.	.	H	α-helix	trans	-55.8	-46.5	175.2	-70.5	0	0	0	0	112	L510 V524 K530 L531 Q532	L510-C528 VanDerWaalsContact CD1-SG 3.6Å; V524-C528 WeakPolarHBondContact O-CB 3.47Å; V524-C528 PolarHBondContact O-N 3.13Å; V524-C528 PolarHBondContact O-SG 2.67Å; C528-K530 PolarHBondContact O-N 3.14Å; C528-L531 PolarHBondContact O-N 3.25Å; C528-Q532 VanDerWaalsContact O-CB 3.3Å; C528-Q532 WeakPolarHBondContact O-CB 3.23Å; C528-Q532 VanDerWaalsContact O-CG 3.24Å; C528-Q532 WeakPolarHBondContact O-CG 3.5Å; C528-Q532 PolarHBondContact O-N 3.48Å
529	R	85.3	Confident	85.7	Confident	165 Å²	165	63.6 Å²	63.6	62%	0.623	27%	0.27	S	S	*	.	H	α-helix	trans	-59.8	-45.2	177.3	-76.4	169.6	172.6	-177.6	-5.4	111.9	K525 K526 C527 F533	K525-R529 VanDerWaalsContact O-CG 3.3Å; K525-R529 WeakPolarHBondContact O-CG 3.42Å; K525-R529 PolarHBondContact O-N 2.84Å; K525-R529 VanDerWaalsContact O-N 3.15Å; K526-R529 PolarHBondContact O-N 3.04Å; C527-R529 VanDerWaalsContact C-N 3.35Å; C527-R529 PolarHBondContact O-N 2.92Å; R529-F533 VanDerWaalsContact O-CB 3.27Å; R529-F533 WeakPolarHBondContact O-CB 3.39Å; R529-F533 PolarHBondContact O-N 2.83Å
530	K	84.1	Confident	85	Confident	83 Å²	83	64.9 Å²	64.9	36%	0.361	28%	0.282	S	S	.	.	H	α-helix	trans	-65.6	-44.5	177.6	-69.8	-172.3	-178.1	165.4	0	112.6	E498 K526 C527 C528 F533 N534 L962	E498-K530 WeakPolarHBondContact OE1-CD 3.3Å; E498-K530 WeakPolarHBondContact OE1-CE 3.23Å; E498-K530 IonicContact OE1-NZ 3.24Å; E498-K530 PolarHBondContact OE1-NZ 3.01Å; E498-K530 IonicContact OE2-NZ 3.43Å; E498-K530 PolarHBondContact OE2-NZ 2.69Å; K526-K530 PolarHBondContact O-N 2.78Å; K526-K530 VanDerWaalsContact O-N 3.09Å; C527-K530 PolarHBondContact O-N 3.5Å; C528-K530 PolarHBondContact O-N 3.14Å; K530-F533 PolarHBondContact O-N 2.94Å; K530-N534 VanDerWaalsContact O-CG 3.31Å; K530-N534 PolarHBondContact O-N 2.55Å; K530-N534 PolarHBondContact O-OD1 2.74Å; K530-L962 HydrophobicContact CB-CD1 4.3Å; K530-L962 HydrophobicContact CB-CD2 3.91Å; K530-L962 HydrophobicContact CD-CD2 4.26Å
531	L	79.4	Confident	84.8	Confident	26 Å²	26	64.8 Å²	64.8	14%	0.136	28%	0.282	C	S	.	.	H	α-helix	trans	-61.7	-46.2	177	-73.8	169.6	0	0	0	111.4	C527 C528 F535 L962	C527-L531 WeakPolarHBondContact O-CG 3.09Å; C527-L531 PolarHBondContact O-N 2.87Å; C528-L531 PolarHBondContact O-N 3.25Å; L531-F535 WeakPolarHBondContact O-CB 3.18Å; L531-F535 PolarHBondContact O-N 3.15Å; L531-L962 HydrophobicContact CD2-CD1 3.8Å; L531-L962 HydrophobicContact CD2-CG 3.79Å; L531-L962 HydrophobicContact CG-CD1 3.78Å; L531-L962 HydrophobicContact CG-CG 4.27Å
532	Q	82.4	Confident	84.4	Confident	74 Å²	74	63.4 Å²	63.4	35%	0.346	28%	0.279	S	S	.	.	H	α-helix	trans	-63.4	-41.1	176.6	-74.3	175.9	-21.9	0	0	112.3	C528 F535 R536	C528-Q532 VanDerWaalsContact O-CB 3.3Å; C528-Q532 WeakPolarHBondContact O-CB 3.23Å; C528-Q532 VanDerWaalsContact O-CG 3.24Å; C528-Q532 WeakPolarHBondContact O-CG 3.5Å; C528-Q532 PolarHBondContact O-N 3.48Å; Q532-F535 PolarHBondContact O-N 3.23Å; Q532-R536 WeakPolarHBondContact O-CB 3.49Å; Q532-R536 VanDerWaalsContact O-CG 3.28Å; Q532-R536 WeakPolarHBondContact O-CG 3.46Å; Q532-R536 PolarHBondContact O-N 3.29Å
533	F	85.7	Confident	84.1	Confident	117 Å²	117	58.2 Å²	58.2	51%	0.513	26%	0.255	S	S	.	.	H	α-helix	trans	-61.9	-55.3	175.4	179.1	-97.6	0	0	0	111	R529 K530 F535 R536 E537	R529-F533 VanDerWaalsContact O-CB 3.27Å; R529-F533 WeakPolarHBondContact O-CB 3.39Å; R529-F533 PolarHBondContact O-N 2.83Å; K530-F533 PolarHBondContact O-N 2.94Å; F533-F535 PolarHBondContact O-N 3.17Å; F533-R536 PolarHBondContact O-N 3.14Å; F533-E537 HydrophobicContact CD1-CG 4.33Å; F533-E537 HydrophobicContact CD2-CG 4.39Å; F533-E537 HydrophobicContact CE1-CG 3.98Å; F533-E537 HydrophobicContact CE2-CG 4.04Å; F533-E537 HydrophobicContact CZ-CG 3.82Å; F533-E537 WeakPolarHBondContact O-CB 3.45Å; F533-E537 VanDerWaalsContact O-CG 3.31Å; F533-E537 WeakPolarHBondContact O-CG 3.27Å; F533-E537 PolarHBondContact O-N 2.87Å
534	N	84.3	Confident	83.8	Confident	27 Å²	27	60.9 Å²	60.9	14%	0.144	27%	0.266	C	S	.	.	H	α-helix	trans	-60.3	-34.7	179.6	-65.9	-4.3	0	0	0	112.5	K530 E537 L538 R539 S960	K530-N534 VanDerWaalsContact O-CG 3.31Å; K530-N534 PolarHBondContact O-N 2.55Å; K530-N534 PolarHBondContact O-OD1 2.74Å; N534-E537 CarbonylContact O-C 3.59Å; N534-L538 PolarHBondContact O-N 3.27Å; N534-R539 PolarHBondContact O-N 3.38Å; N534-S960 WeakPolarHBondContact CB-OG 3.23Å
535	F	85.4	Confident	83.4	Confident	4 Å²	4	63.9 Å²	63.9	2%	0.018	29%	0.285	C	S	.	.	H	α-helix	trans	-68.7	-45.1	177.3	-178.2	-108	0	0	0	112.5	L531 Q532 F533 E537 L538 L541 V787 E918 G921 E922 I923	L531-F535 WeakPolarHBondContact O-CB 3.18Å; L531-F535 PolarHBondContact O-N 3.15Å; Q532-F535 PolarHBondContact O-N 3.23Å; F533-F535 PolarHBondContact O-N 3.17Å; F535-E537 VanDerWaalsContact C-N 3.28Å; F535-E537 PolarHBondContact O-N 3.07Å; F535-L538 WeakPolarHBondContact O-CD2 3.27Å; F535-L538 PolarHBondContact O-N 3.16Å; F535-L541 HydrophobicContact CD2-CD2 4.21Å; F535-V787 HydrophobicContact CD1-CG1 3.76Å; F535-V787 HydrophobicContact CE1-CB 4.32Å; F535-V787 HydrophobicContact CE1-CG1 3.53Å; F535-V787 HydrophobicContact CE1-CG2 3.86Å; F535-V787 HydrophobicContact CG-CG1 4.47Å; F535-V787 HydrophobicContact CZ-CG1 4.05Å; F535-V787 HydrophobicContact CZ-CG2 3.81Å; F535-E918 HydrophobicContact CE1-CG 4.23Å; F535-G921 VanDerWaalsContact CD2-C 3.47Å; F535-G921 VanDerWaalsContact CD2-O 3.31Å; F535-G921 WeakPolarHBondContact CD2-O 3.33Å; F535-E922 VanDerWaalsContact CE2-C 3.5Å; F535-E922 WeakPolarHBondContact CZ-O 3.45Å; F535-I923 HydrophobicContact CE2-CG1 3.84Å; F535-I923 HydrophobicContact CZ-CD1 4.47Å; F535-I923 HydrophobicContact CZ-CG1 3.65Å
536	R	86.7	Confident	82.9	Confident	144 Å²	144	61.1 Å²	61.1	54%	0.543	28%	0.275	S	S	.	.	H	α-helix	trans	-62.3	-36.5	173.8	-73.7	171.9	177.8	-171.1	-2.6	112.8	Q532 F533 L538 K790	Q532-R536 WeakPolarHBondContact O-CB 3.49Å; Q532-R536 VanDerWaalsContact O-CG 3.28Å; Q532-R536 WeakPolarHBondContact O-CG 3.46Å; Q532-R536 PolarHBondContact O-N 3.29Å; F533-R536 PolarHBondContact O-N 3.14Å; R536-L538 PolarHBondContact O-N 2.88Å; R536-K790 PolarHBondContact O-NZ 3.23Å
537	E	86.3	Confident	81.9	Confident	68 Å²	68	63.9 Å²	63.9	32%	0.318	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-4.1	174.9	-69.7	-64.7	105.1	0	0	113.5	F533 N534 F535 R539	F533-E537 HydrophobicContact CD1-CG 4.33Å; F533-E537 HydrophobicContact CD2-CG 4.39Å; F533-E537 HydrophobicContact CE1-CG 3.98Å; F533-E537 HydrophobicContact CE2-CG 4.04Å; F533-E537 HydrophobicContact CZ-CG 3.82Å; F533-E537 WeakPolarHBondContact O-CB 3.45Å; F533-E537 VanDerWaalsContact O-CG 3.31Å; F533-E537 WeakPolarHBondContact O-CG 3.27Å; F533-E537 PolarHBondContact O-N 2.87Å; N534-E537 CarbonylContact O-C 3.59Å; F535-E537 VanDerWaalsContact C-N 3.28Å; F535-E537 PolarHBondContact O-N 3.07Å; E537-R539 HydrophobicContact CB-CG 3.78Å; E537-R539 WeakPolarHBondContact O-CG 3.4Å; E537-R539 PolarHBondContact O-N 3.25Å; E537-R539 IonicContact OE2-CZ 2.98Å; E537-R539 IonicContact OE2-NE 3.64Å; E537-R539 PolarHBondContact OE2-NE 3.49Å; E537-R539 IonicContact OE2-NH2 3.1Å; E537-R539 PolarHBondContact OE2-NH2 3.44Å
538	L	83.9	Confident	80.5	Confident	17 Å²	17	65.6 Å²	65.6	9%	0.089	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	32	-177.8	-54.8	168.6	0	0	0	113.7	N534 F535 R536 L541 V787 K790 I792 A884 V901	N534-L538 PolarHBondContact O-N 3.27Å; F535-L538 WeakPolarHBondContact O-CD2 3.27Å; F535-L538 PolarHBondContact O-N 3.16Å; R536-L538 PolarHBondContact O-N 2.88Å; L538-L541 HydrophobicContact CB-CD1 3.95Å; L538-L541 HydrophobicContact CD2-CD1 3.91Å; L538-V787 HydrophobicContact CD2-CG1 4.08Å; L538-K790 HydrophobicContact CD1-CB 4.44Å; L538-K790 HydrophobicContact CD1-CD 3.54Å; L538-K790 HydrophobicContact CG-CD 4.29Å; L538-I792 HydrophobicContact CD1-CD1 3.59Å; L538-I792 HydrophobicContact CD2-CD1 3.77Å; L538-I792 HydrophobicContact CD2-CG1 4.4Å; L538-I792 HydrophobicContact CG-CD1 4.35Å; L538-A884 HydrophobicContact CD1-CB 3.81Å; L538-V901 HydrophobicContact CB-CG1 3.89Å; L538-V901 HydrophobicContact CD1-CG2 3.79Å
539	R	81.3	Confident	78.5	Confident	134 Å²	134	71.3 Å²	71.3	51%	0.506	33%	0.33	S	S	.	.			trans	-92.7	140.9	-177.6	-61.3	180	-164.1	-156.4	7.9	111.7	N534 E537 L541 S960	N534-R539 PolarHBondContact O-N 3.38Å; E537-R539 HydrophobicContact CB-CG 3.78Å; E537-R539 WeakPolarHBondContact O-CG 3.4Å; E537-R539 PolarHBondContact O-N 3.25Å; E537-R539 IonicContact OE2-CZ 2.98Å; E537-R539 IonicContact OE2-NE 3.64Å; E537-R539 PolarHBondContact OE2-NE 3.49Å; E537-R539 IonicContact OE2-NH2 3.1Å; E537-R539 PolarHBondContact OE2-NH2 3.44Å; R539-L541 VanDerWaalsContact C-N 3.33Å; R539-L541 PolarHBondContact O-N 3.42Å; R539-S960 PolarHBondContact O-OG 3.11Å
540	N	75.9	Confident	76.3	Confident	96 Å²	96	73.6 Å²	73.6	51%	0.513	34%	0.34	S	S	.	.	S	Bend	trans	52.3	46	178.6	-53.1	-27.5	0	0	0	113	S960 S961	N540-S960 WeakPolarHBondContact O-CA 2.96Å; N540-S961 PolarHBondContact O-N 3Å; N540-S961 PolarHBondContact O-OG 3.46Å
541	L	82	Confident	74	Confident	5 Å²	5	72.1 Å²	72.1	3%	0.026	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	123.5	-179.4	-63.1	-176.5	0	0	0	111.6	F535 L538 R539 V901 S903 S904 L958	F535-L541 HydrophobicContact CD2-CD2 4.21Å; L538-L541 HydrophobicContact CB-CD1 3.95Å; L538-L541 HydrophobicContact CD2-CD1 3.91Å; R539-L541 VanDerWaalsContact C-N 3.33Å; R539-L541 PolarHBondContact O-N 3.42Å; L541-V901 HydrophobicContact CD1-CG1 3.81Å; L541-S903 WeakPolarHBondContact O-CA 3.45Å; L541-S904 PolarHBondContact O-N 2.91Å; L541-S904 VanDerWaalsContact O-N 3.11Å; L541-L958 HydrophobicContact CB-CD1 3.72Å; L541-L958 HydrophobicContact CB-CG 4.14Å; L541-L958 HydrophobicContact CD1-CD2 4.13Å; L541-L958 HydrophobicContact CD1-CG 4.33Å
542	E	80.6	Confident	72.1	Confident	64 Å²	64	77.4 Å²	77.4	30%	0.299	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	137.7	180	-73	176.3	-150.9	0	0	111.4	F544 S904 L958 K959 S961	E542-F544 HydrophobicContact CB-CD2 4.42Å; E542-F544 HydrophobicContact CB-CE2 3.46Å; E542-F544 VanDerWaalsContact CB-CE2 3.46Å; E542-F544 HydrophobicContact CB-CZ 3.59Å; E542-F544 VanDerWaalsContact O-CD2 3.27Å; E542-F544 WeakPolarHBondContact O-CD2 3.16Å; E542-F544 VanDerWaalsContact O-CE2 3.26Å; E542-F544 WeakPolarHBondContact O-CE2 3.32Å; E542-F544 WeakPolarHBondContact OE2-CZ 3.27Å; E542-S904 WeakPolarHBondContact CA-OG 3.47Å; E542-L958 WeakPolarHBondContact O-CA 3.41Å; E542-K959 PolarHBondContact N-O 3.27Å; E542-K959 PolarHBondContact O-N 3.29Å; E542-K959 VanDerWaalsContact O-N 3.11Å; E542-S961 VanDerWaalsContact OE1-CB 3.29Å; E542-S961 WeakPolarHBondContact OE1-CB 3.34Å; E542-S961 PolarHBondContact OE1-OG 2.88Å
543	W	83.4	Confident	70.2	Confident	6 Å²	6	82.3 Å²	82.3	2%	0.023	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	129.7	176.6	-75.8	102.9	0	0	0	111.5	L794 V882 S903 S904 H906 A907 P908 V925 F956 L958	W543-L794 HydrophobicContact CH2-CD1 4.06Å; W543-L794 HydrophobicContact CH2-CD2 4.11Å; W543-L794 HydrophobicContact CZ2-CD2 4.15Å; W543-V882 HydrophobicContact CZ2-CG2 3.7Å; W543-S903 PolarHBondContact NE1-OG 3.33Å; W543-S903 VanDerWaalsContact NE1-OG 3.08Å; W543-S904 PolarHBondContact N-OG 2.94Å; W543-S904 VanDerWaalsContact N-OG 3.12Å; W543-H906 HydrophobicContact CB-CB 4.41Å; W543-H906 WeakPolarHBondContact CB-O 3.48Å; W543-A907 VanDerWaalsContact CD1-CA 3.49Å; W543-A907 HydrophobicContact CD2-CB 4.4Å; W543-A907 HydrophobicContact CG-CB 4.1Å; W543-P908 HydrophobicContact CE3-CG 4.34Å; W543-P908 HydrophobicContact CH2-CG 3.97Å; W543-P908 HydrophobicContact CZ2-CG 4.35Å; W543-P908 HydrophobicContact CZ3-CG 3.96Å; W543-V925 HydrophobicContact CH2-CG2 3.97Å; W543-V925 HydrophobicContact CZ3-CG2 3.87Å; W543-F956 HydrophobicContact CE3-CB 4.04Å; W543-F956 HydrophobicContact CZ3-CB 3.98Å; W543-L958 HydrophobicContact CD2-CB 4.13Å; W543-L958 HydrophobicContact CD2-CD1 3.8Å; W543-L958 HydrophobicContact CD2-CG 4.43Å; W543-L958 HydrophobicContact CE3-CB 3.89Å; W543-L958 HydrophobicContact CE3-CD1 4.41Å; W543-L958 HydrophobicContact CG-CD1 3.87Å; W543-L958 HydrophobicContact CH2-CB 4.16Å; W543-L958 HydrophobicContact CH2-CD2 4.3Å; W543-L958 HydrophobicContact CZ2-CB 4.37Å; W543-L958 HydrophobicContact CZ2-CD1 4.41Å; W543-L958 HydrophobicContact CZ2-CD2 3.93Å; W543-L958 HydrophobicContact CZ2-CG 4.48Å; W543-L958 HydrophobicContact CZ3-CB 3.9Å
544	F	79.3	Confident	68.1	Low	73 Å²	73	79 Å²	79	32%	0.32	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	119.8	177.3	-58	-86.8	0	0	0	109.9	E542 V957 K959	E542-F544 HydrophobicContact CB-CD2 4.42Å; E542-F544 HydrophobicContact CB-CE2 3.46Å; E542-F544 VanDerWaalsContact CB-CE2 3.46Å; E542-F544 HydrophobicContact CB-CZ 3.59Å; E542-F544 VanDerWaalsContact O-CD2 3.27Å; E542-F544 WeakPolarHBondContact O-CD2 3.16Å; E542-F544 VanDerWaalsContact O-CE2 3.26Å; E542-F544 WeakPolarHBondContact O-CE2 3.32Å; E542-F544 WeakPolarHBondContact OE2-CZ 3.27Å; F544-V957 PolarHBondContact N-O 3.33Å; F544-V957 PolarHBondContact O-N 2.96Å; F544-K959 HydrophobicContact CD2-CD 4.28Å; F544-K959 HydrophobicContact CD2-CG 3.79Å; F544-K959 HydrophobicContact CE2-CD 4.12Å; F544-K959 VanDerWaalsContact CE2-CE 3.45Å; F544-K959 HydrophobicContact CE2-CG 3.54Å
545	P	80.5	Confident	66.8	Low	62 Å²	62	80.5 Å²	80.5	40%	0.403	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	136.6	162.8	30.2	-32.3	0	0	0	108.8	D547 T954 F956	P545-D547 PolarHBondContact O-N 2.89Å; P545-T954 HydrophobicContact CB-CG2 4.49Å; P545-F956 HydrophobicContact CB-CD1 4.3Å; P545-F956 HydrophobicContact CB-CE1 4.17Å
546	V	78.4	Confident	66.1	Low	20 Å²	20	83 Å²	83	12%	0.121	42%	0.417	C	S	.	.			trans	-81.8	106	169.8	177.7	0	0	0	0	108	Q548 F592 R597 V955 V957	V546-Q548 PolarHBondContact O-N 3.17Å; V546-F592 HydrophobicContact CG1-CZ 4.28Å; V546-F592 HydrophobicContact CG2-CZ 4.43Å; V546-R597 HydrophobicContact CG1-CB 3.7Å; V546-R597 HydrophobicContact CG1-CG 4.41Å; V546-V955 HydrophobicContact CB-CB 4.05Å; V546-V955 HydrophobicContact CB-CG1 4.4Å; V546-V955 HydrophobicContact CG2-CB 4.08Å; V546-V955 HydrophobicContact CG2-CG1 3.87Å; V546-V955 PolarHBondContact N-O 3.49Å; V546-V957 HydrophobicContact CG2-CG2 3.67Å
547	D	64.7	Low	66	Low	141 Å²	141	76.2 Å²	76.2	75%	0.754	39%	0.392	S	S	*	.			trans	-60.9	104.9	168.1	-77.7	-30.1	0	0	0	109.1	P545 L549	P545-D547 PolarHBondContact O-N 2.89Å; D547-L549 PolarHBondContact O-N 3.06Å
548	Q	56.1	Low	65.8	Low	35 Å²	35	81.9 Å²	81.9	16%	0.164	41%	0.411	C	S	.	.			trans	-65	101.6	168.8	-68.4	-177.3	11.3	0	0	107.4	V546 Y550 N556 D953	V546-Q548 PolarHBondContact O-N 3.17Å; Q548-Y550 PolarHBondContact O-N 3.18Å; Q548-N556 PolarHBondContact OE1-ND2 3.15Å; Q548-N556 PolarHBondContact OE1-OD1 3.15Å; Q548-D953 PolarHBondContact NE2-O 2.94Å; Q548-D953 VanDerWaalsContact NE2-O 3.07Å
549	L	43	Very low	65.9	Low	136 Å²	136	82.6 Å²	82.6	71%	0.712	42%	0.417	S	S	*	.			trans	-53.1	116.1	173.7	-73	170.8	0	0	0	108.4	D547 S551	D547-L549 PolarHBondContact O-N 3.06Å; L549-S551 PolarHBondContact O-N 3.34Å
550	Y	39.3	Very low	66.2	Low	213 Å²	213	76.2 Å²	76.2	84%	0.835	39%	0.393	S	S	*	.			trans	-71.5	56.4	171.9	-63.4	-87.9	0	0	0	110.5	Q548	Q548-Y550 PolarHBondContact O-N 3.18Å
551	S	35.5	Very low	66.8	Low	53 Å²	53	71.9 Å²	71.9	37%	0.371	37%	0.37	S	S	.	.			trans	-65.1	133.5	161.5	174.8	0	0	0	0	108	L549 E553 C554	L549-S551 PolarHBondContact O-N 3.34Å; S551-E553 PolarHBondContact O-N 3.01Å; S551-E553 PolarHBondContact OG-N 3.15Å; S551-C554 PolarHBondContact O-N 3.29Å
552	T	40	Very low	67.1	Low	137 Å²	137	71.7 Å²	71.7	84%	0.84	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-11.7	176.2	41.2	0	0	0	0	113.5
553	E	42.2	Very low	67.6	Low	176 Å²	176	69 Å²	69	82%	0.822	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-8.7	-178	-60.4	177.9	165.7	0	0	113.9	S551	S551-E553 PolarHBondContact O-N 3.01Å; S551-E553 PolarHBondContact OG-N 3.15Å
554	C	42	Very low	68.1	Low	48 Å²	48	68.8 Å²	68.8	32%	0.324	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-100.8	119.9	-176.3	-73.5	0	0	0	0	112.1	S551 N556	S551-C554 PolarHBondContact O-N 3.29Å; C554-N556 PolarHBondContact O-N 2.76Å
555	A	56.7	Low	68.8	Low	59 Å²	59	65.6 Å²	65.6	49%	0.488	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-75.9	119.8	172.2	0	0	0	0	0	110.4	W590	A555-W590 HydrophobicContact CB-CH2 4.08Å; A555-W590 HydrophobicContact CB-CZ3 4.29Å; A555-W590 VanDerWaalsContact O-CZ3 3.32Å; A555-W590 WeakPolarHBondContact O-CZ3 3.47Å
556	N	70	Confident	69.4	Low	55 Å²	55	63.2 Å²	63.2	29%	0.294	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-82.3	138.6	175.2	-69.2	-9.2	0	0	0	111.1	Q548 C554	Q548-N556 PolarHBondContact OE1-ND2 3.15Å; Q548-N556 PolarHBondContact OE1-OD1 3.15Å; C554-N556 PolarHBondContact O-N 2.76Å
557	I	85.3	Confident	70	Confident	3 Å²	3	66.5 Å²	66.5	2%	0.015	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-68.9	136.9	173.1	-167.5	167.3	0	0	0	110.2	V575 W590 W599 F926	I557-V575 HydrophobicContact CD1-CG1 4.23Å; I557-W590 HydrophobicContact CB-CD2 4.06Å; I557-W590 HydrophobicContact CB-CE3 4.07Å; I557-W590 HydrophobicContact CB-CH2 4.43Å; I557-W590 HydrophobicContact CB-CZ2 4.44Å; I557-W590 HydrophobicContact CB-CZ3 4.26Å; I557-W590 HydrophobicContact CD1-CB 3.79Å; I557-W590 HydrophobicContact CD1-CD2 3.93Å; I557-W590 HydrophobicContact CD1-CG 3.54Å; I557-W590 HydrophobicContact CG1-CD2 3.89Å; I557-W590 HydrophobicContact CG1-CE3 4.41Å; I557-W590 HydrophobicContact CG1-CG 4.01Å; I557-W590 HydrophobicContact CG1-CZ2 4.42Å; I557-W599 HydrophobicContact CB-CD2 4.1Å; I557-W599 HydrophobicContact CB-CE3 4.41Å; I557-W599 HydrophobicContact CB-CG 4.25Å; I557-W599 HydrophobicContact CD1-CD2 4.43Å; I557-W599 HydrophobicContact CD1-CE3 4.01Å; I557-W599 HydrophobicContact CD1-CH2 4.04Å; I557-W599 HydrophobicContact CD1-CZ2 4.46Å; I557-W599 HydrophobicContact CD1-CZ3 3.79Å; I557-W599 HydrophobicContact CG2-CD2 3.72Å; I557-W599 HydrophobicContact CG2-CE3 4.37Å; I557-W599 HydrophobicContact CG2-CG 3.92Å; I557-W599 HydrophobicContact CG2-CZ2 4.02Å; I557-F926 HydrophobicContact CB-CZ 4.45Å; I557-F926 HydrophobicContact CD1-CE1 3.89Å; I557-F926 HydrophobicContact CD1-CZ 3.67Å; I557-F926 HydrophobicContact CG1-CZ 4.04Å; I557-F926 HydrophobicContact CG2-CE2 3.59Å; I557-F926 HydrophobicContact CG2-CZ 3.58Å
558	W	82.6	Confident	71.3	Confident	186 Å²	186	60.7 Å²	60.7	71%	0.705	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-75.8	151.2	176.8	-67.2	-3.9	0	0	0	112.5	R560	W558-R560 PolarHBondContact O-N 3.06Å; W558-R560 PolarHBondContact O-NE 3.26Å
559	S	84.2	Confident	72.7	Confident	33 Å²	33	66.8 Å²	66.8	23%	0.231	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-60	128.3	179.5	51.8	0	0	0	0	111.6	V952	S559-V952 VanDerWaalsContact CA-O 3.25Å; S559-V952 WeakPolarHBondContact CA-O 3.31Å
560	R	89.3	Confident	74.7	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-151.4	161.6	-171.7	64.6	-177.1	68.6	-155.9	2.7	113.2	W558 H563 G577 M579 L586 D588 F926 G927 G928 V952	W558-R560 PolarHBondContact O-N 3.06Å; W558-R560 PolarHBondContact O-NE 3.26Å; R560-H563 HydrophobicContact CG-CB 4.49Å; R560-G577 WeakPolarHBondContact CD-O 3.46Å; R560-G577 PolarHBondContact NH1-O 2.95Å; R560-M579 CarbonylContact C-O 3.31Å; R560-M579 WeakPolarHBondContact CA-O 3.46Å; R560-L586 HydrophobicContact CB-CD1 4.27Å; R560-L586 VanDerWaalsContact CZ-CD1 3.45Å; R560-D588 IonicContact CZ-OD1 3.66Å; R560-D588 IonicContact CZ-OD2 2.71Å; R560-D588 IonicContact NH1-OD1 2.98Å; R560-D588 PolarHBondContact NH1-OD1 2.86Å; R560-D588 IonicContact NH1-OD2 3.56Å; R560-D588 IonicContact NH2-OD1 3.84Å; R560-D588 PolarHBondContact NH2-OD1 3.1Å; R560-D588 IonicContact NH2-OD2 2.65Å; R560-D588 PolarHBondContact NH2-OD2 3.38Å; R560-F926 HydrophobicContact CG-CE1 3.91Å; R560-F926 HydrophobicContact CG-CZ 4.05Å; R560-G927 CarbonylContact O-C 3.38Å; R560-G927 VanDerWaalsContact O-CA 3.26Å; R560-G927 WeakPolarHBondContact O-CA 3.34Å; R560-G928 PolarHBondContact O-N 3.48Å; R560-V952 PolarHBondContact N-O 2.84Å; R560-V952 VanDerWaalsContact N-O 3.1Å
561	F	87.4	Confident	77	Confident	5 Å²	5	53.5 Å²	53.5	2%	0.022	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-140.4	168.3	172.8	66.5	-92.9	0	0	0	110.7	H563 G578 M579 T580 F583 L913 V929 F943 A951	F561-H563 PolarHBondContact O-N 2.98Å; F561-G578 CarbonylContact O-C 3.51Å; F561-G578 WeakPolarHBondContact O-CA 3.4Å; F561-M579 HydrophobicContact CD1-CB 4.28Å; F561-M579 VanDerWaalsContact CD1-O 3.23Å; F561-M579 WeakPolarHBondContact CD1-O 3.24Å; F561-M579 HydrophobicContact CD2-CB 4.28Å; F561-M579 HydrophobicContact CE1-CB 3.77Å; F561-M579 HydrophobicContact CE2-CB 3.72Å; F561-M579 HydrophobicContact CE2-CE 4.48Å; F561-M579 HydrophobicContact CE2-CG 4.39Å; F561-M579 HydrophobicContact CE2-SD 3.93Å; F561-M579 HydrophobicContact CZ-CB 3.46Å; F561-M579 VanDerWaalsContact CZ-CB 3.46Å; F561-M579 HydrophobicContact CZ-CE 4.18Å; F561-M579 HydrophobicContact CZ-CG 4.38Å; F561-M579 HydrophobicContact CZ-SD 4.15Å; F561-M579 PolarHBondContact N-O 3.31Å; F561-M579 PolarHBondContact O-N 3Å; F561-T580 VanDerWaalsContact CE1-O 3.29Å; F561-T580 WeakPolarHBondContact CE1-O 3.15Å; F561-F583 HydrophobicContact CZ-CD1 4.49Å; F561-F583 HydrophobicContact CZ-CE1 4.47Å; F561-L913 HydrophobicContact CB-CB 4.48Å; F561-L913 HydrophobicContact CD2-CD1 4.25Å; F561-V929 HydrophobicContact CB-CG2 3.42Å; F561-V929 VanDerWaalsContact CB-CG2 3.42Å; F561-V929 HydrophobicContact CD1-CG2 3.32Å; F561-V929 HydrophobicContact CD2-CG2 3.77Å; F561-V929 HydrophobicContact CE1-CG2 3.91Å; F561-V929 HydrophobicContact CE2-CG2 4.35Å; F561-V929 HydrophobicContact CG-CG2 3.21Å; F561-V929 HydrophobicContact CZ-CG2 4.39Å; F561-F943 HydrophobicContact CD2-CE1 4.39Å; F561-F943 AromaticContact CD2-CZ 3.76Å; F561-F943 HydrophobicContact CD2-CZ 3.76Å; F561-F943 AromaticContact CE2-CE1 3.74Å; F561-F943 HydrophobicContact CE2-CE1 3.74Å; F561-F943 AromaticContact CE2-CZ 3.44Å; F561-F943 HydrophobicContact CE2-CZ 3.44Å; F561-F943 VanDerWaalsContact CE2-CZ 3.44Å; F561-F943 HydrophobicContact CZ-CE1 4.32Å; F561-F943 AromaticContact CZ-CZ 3.97Å; F561-F943 HydrophobicContact CZ-CZ 3.97Å; F561-A951 HydrophobicContact CD1-CB 4.18Å
562	A	87.8	Confident	79.6	Confident	1 Å²	1	51 Å²	51	1%	0.008	27%	0.267	C	S	.	.	S	Bend	trans	54.7	18.3	180	0	0	0	0	0	114.3	A613 S614 L913	A562-A613 HydrophobicContact CB-CB 3.97Å; A562-S614 PolarHBondContact O-N 2.96Å; A562-L913 HydrophobicContact CB-CB 4.33Å; A562-L913 HydrophobicContact CB-CD1 4.36Å; A562-L913 PolarHBondContact N-O 2.7Å
563	H	92.4	Very high	82.1	Confident	6 Å²	6	44.9 Å²	44.9	3%	0.028	23%	0.228	C	C	.	.			trans	-66.4	160.8	171.5	59	-84.2	0	0	0	110.8	R560 F561 V575 G577 S915 F926	R560-H563 HydrophobicContact CG-CB 4.49Å; F561-H563 PolarHBondContact O-N 2.98Å; H563-V575 HydrophobicContact CB-CG1 4.02Å; H563-G577 WeakPolarHBondContact CB-O 3.32Å; H563-S915 WeakPolarHBondContact NE2-CB 3.19Å; H563-S915 PolarHBondContact NE2-OG 3.42Å; H563-F926 AromaticContact CE1-CD1 3.97Å; H563-F926 PolarHBondContact CE1-O 3.1Å; H563-F926 VanDerWaalsContact CE1-O 3.31Å; H563-F926 AromaticContact NE2-CD1 3.77Å
564	A	93.5	Very high	84.6	Confident	2 Å²	2	36.5 Å²	36.5	2%	0.017	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	138.6	169.8	0	0	0	0	0	108.7	V575 F576 S615 L617 L626	A564-V575 CarbonylContact O-C 3.6Å; A564-V575 WeakPolarHBondContact O-CA 3.47Å; A564-F576 PolarHBondContact N-O 3.01Å; A564-F576 PolarHBondContact O-N 3.35Å; A564-S615 WeakPolarHBondContact CB-O 3.06Å; A564-L617 HydrophobicContact CB-CB 3.64Å; A564-L626 HydrophobicContact CB-CD1 4.16Å
565	A	94	Very high	87.1	Confident	7 Å²	7	34.2 Å²	34.2	6%	0.058	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	147.8	-179.6	0	0	0	0	0	112.3	F574 V575 I917	A565-F574 WeakPolarHBondContact CA-O 3.25Å; A565-V575 HydrophobicContact CB-CG2 4Å; A565-I917 HydrophobicContact CB-CD1 3.86Å
566	C	93.3	Very high	89	Confident	12 Å²	12	31.4 Å²	31.4	8%	0.081	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	151.5	174.3	64.3	0	0	0	0	112.3	I573 F574 L617	C566-I573 WeakPolarHBondContact O-CA 3.38Å; C566-F574 PolarHBondContact N-O 3.16Å; C566-F574 PolarHBondContact O-N 3.12Å; C566-L617 WeakPolarHBondContact CB-O 3.26Å
567	Y	91.6	Very high	90.1	Very high	89 Å²	89	28.8 Å²	28.8	35%	0.349	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	148.2	162.6	179.7	-110.6	0	0	0	110.6	L594 A619	Y567-L594 HydrophobicContact CD2-CD1 4Å; Y567-L594 HydrophobicContact CE2-CD1 3.62Å; Y567-A619 WeakPolarHBondContact O-CB 3.39Å
568	H	91.3	Very high	90.3	Very high	18 Å²	18	28.6 Å²	28.6	8%	0.083	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	141.6	167.7	175.8	-109.2	0	0	0	109.9	S570 G571 S572 F574 A619 G621	H568-S570 VanDerWaalsContact ND1-CB 3.3Å; H568-S570 WeakPolarHBondContact ND1-CB 3.35Å; H568-S570 PolarHBondContact ND1-N 2.9Å; H568-S570 PolarHBondContact ND1-OG 3.21Å; H568-S570 PolarHBondContact O-N 3.05Å; H568-G571 PolarHBondContact O-N 2.8Å; H568-G571 VanDerWaalsContact O-N 3.13Å; H568-S572 PolarHBondContact N-O 3.1Å; H568-S572 PolarHBondContact O-N 3.23Å; H568-F574 HydrophobicContact CB-CD2 3.83Å; H568-F574 HydrophobicContact CB-CE2 3.55Å; H568-A619 HydrophobicContact CB-CB 4.27Å; H568-G621 PolarHBondContact NE2-O 2.79Å
569	K	86	Confident	90.5	Very high	164 Å²	164	20.1 Å²	20.1	71%	0.713	10%	0.104	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-18	-177	62.5	179.7	179.3	179.5	0	115.9	G571	K569-G571 PolarHBondContact O-N 3.41Å; K569-G571 VanDerWaalsContact O-N 3.14Å
570	S	84.8	Confident	90.6	Very high	62 Å²	62	19.5 Å²	19.5	43%	0.434	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	18.1	172.6	77.5	0	0	0	0	115	H568	H568-S570 VanDerWaalsContact ND1-CB 3.3Å; H568-S570 WeakPolarHBondContact ND1-CB 3.35Å; H568-S570 PolarHBondContact ND1-N 2.9Å; H568-S570 PolarHBondContact ND1-OG 3.21Å; H568-S570 PolarHBondContact O-N 3.05Å
571	G	86.3	Confident	89.9	Confident	7 Å²	7	21.8 Å²	21.8	7%	0.072	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	45.7	-175.6	0	0	0	0	0	112.8	H568 K569 L594	H568-G571 PolarHBondContact O-N 2.8Å; H568-G571 VanDerWaalsContact O-N 3.13Å; K569-G571 PolarHBondContact O-N 3.41Å; K569-G571 VanDerWaalsContact O-N 3.14Å; G571-L594 WeakPolarHBondContact O-CB 3.31Å; G571-L594 PolarHBondContact O-N 2.72Å
572	S	91.2	Very high	89.3	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.014	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	143.7	179.3	-59.8	0	0	0	0	112	H568 K591 F592	H568-S572 PolarHBondContact N-O 3.1Å; H568-S572 PolarHBondContact O-N 3.23Å; S572-K591 VanDerWaalsContact CB-CE 3.41Å; S572-K591 WeakPolarHBondContact OG-CE 3.37Å; S572-F592 VanDerWaalsContact CA-O 3.28Å; S572-F592 WeakPolarHBondContact CA-O 3.06Å; S572-F592 WeakPolarHBondContact CB-O 3.35Å
573	I	92.8	Very high	88.7	Confident	7 Å²	7	30.2 Å²	30.2	4%	0.036	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	136.6	171.3	-67	173.9	0	0	0	108.2	C566 V575 K591 F592 L594 I917 V924	C566-I573 WeakPolarHBondContact O-CA 3.38Å; I573-V575 HydrophobicContact CG2-CG2 4.26Å; I573-K591 CarbonylContact O-C 3.57Å; I573-K591 WeakPolarHBondContact O-CA 3.37Å; I573-F592 HydrophobicContact CB-CB 4.3Å; I573-F592 PolarHBondContact N-O 3.41Å; I573-F592 PolarHBondContact O-N 3.35Å; I573-L594 HydrophobicContact CD1-CD2 3.89Å; I573-L594 HydrophobicContact CG1-CD1 4.3Å; I573-L594 HydrophobicContact CG1-CD2 4.16Å; I573-L594 HydrophobicContact CG1-CG 4.49Å; I573-I917 HydrophobicContact CB-CD1 4.5Å; I573-I917 HydrophobicContact CD1-CB 3.96Å; I573-I917 HydrophobicContact CD1-CD1 4.11Å; I573-I917 HydrophobicContact CD1-CG2 3.83Å; I573-I917 HydrophobicContact CG1-CD1 4.19Å; I573-I917 HydrophobicContact CG1-CG2 3.97Å; I573-I917 HydrophobicContact CG2-CD1 3.58Å; I573-V924 HydrophobicContact CD1-CB 3.67Å; I573-V924 HydrophobicContact CD1-CG1 3.75Å; I573-V924 HydrophobicContact CD1-CG2 4.2Å
574	F	94.7	Very high	88.2	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	138.9	172.2	-68.3	-100.2	0	0	0	109.5	A565 C566 H568 W590 K591 L602 L617 L624 I653	A565-F574 WeakPolarHBondContact CA-O 3.25Å; C566-F574 PolarHBondContact N-O 3.16Å; C566-F574 PolarHBondContact O-N 3.12Å; H568-F574 HydrophobicContact CB-CD2 3.83Å; H568-F574 HydrophobicContact CB-CE2 3.55Å; F574-W590 CarbonylContact C-O 3.37Å; F574-W590 VanDerWaalsContact CA-O 3.31Å; F574-W590 WeakPolarHBondContact CA-O 3.48Å; F574-K591 HydrophobicContact CD1-CB 4.19Å; F574-K591 HydrophobicContact CD1-CG 4.41Å; F574-K591 HydrophobicContact CE1-CB 4.05Å; F574-K591 HydrophobicContact CE1-CD 4.01Å; F574-K591 HydrophobicContact CE1-CG 4.01Å; F574-K591 HydrophobicContact CE2-CG 4.45Å; F574-K591 HydrophobicContact CZ-CD 3.86Å; F574-K591 HydrophobicContact CZ-CG 4.03Å; F574-L602 HydrophobicContact CD1-CD1 3.74Å; F574-L602 HydrophobicContact CE1-CD1 3.52Å; F574-L617 HydrophobicContact CB-CD2 4.31Å; F574-L624 HydrophobicContact CB-CD1 3.75Å; F574-L624 HydrophobicContact CD1-CD1 3.38Å; F574-L624 HydrophobicContact CD2-CD1 4.28Å; F574-L624 HydrophobicContact CD2-CD2 4.26Å; F574-L624 HydrophobicContact CE1-CD1 3.94Å; F574-L624 HydrophobicContact CG-CD1 3.55Å; F574-L624 HydrophobicContact CG-CD2 4.28Å; F574-I653 HydrophobicContact CE1-CD1 4.42Å; F574-I653 HydrophobicContact CE1-CG1 4.22Å; F574-I653 HydrophobicContact CE1-CG2 4.19Å; F574-I653 HydrophobicContact CE2-CD1 4.24Å; F574-I653 HydrophobicContact CZ-CD1 3.89Å; F574-I653 HydrophobicContact CZ-CG1 4.13Å; F574-I653 HydrophobicContact CZ-CG2 3.89Å
575	V	94.8	Very high	88	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	133	178.2	170.5	0	0	0	0	109.1	I557 H563 A564 A565 I573 I589 W590 W599 F926	I557-V575 HydrophobicContact CD1-CG1 4.23Å; H563-V575 HydrophobicContact CB-CG1 4.02Å; A564-V575 CarbonylContact O-C 3.6Å; A564-V575 WeakPolarHBondContact O-CA 3.47Å; A565-V575 HydrophobicContact CB-CG2 4Å; I573-V575 HydrophobicContact CG2-CG2 4.26Å; V575-I589 WeakPolarHBondContact O-CA 3.45Å; V575-W590 PolarHBondContact N-O 2.94Å; V575-W590 PolarHBondContact O-N 3.26Å; V575-W599 HydrophobicContact CB-CH2 4.38Å; V575-W599 HydrophobicContact CB-CZ3 4.25Å; V575-W599 HydrophobicContact CG2-CH2 3.73Å; V575-W599 HydrophobicContact CG2-CZ3 4.03Å; V575-F926 HydrophobicContact CG1-CE1 4.21Å; V575-F926 HydrophobicContact CG2-CD1 4.07Å; V575-F926 HydrophobicContact CG2-CE1 4.32Å
576	F	95.5	Very high	87.9	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	133	175.3	179.4	-92.1	0	0	0	111.8	A564 N587 D588 I589 P609 K612 L617 L626 W658	A564-F576 PolarHBondContact N-O 3.01Å; A564-F576 PolarHBondContact O-N 3.35Å; F576-N587 HydrophobicContact CE2-CB 4.5Å; F576-N587 VanDerWaalsContact CE2-O 3.23Å; F576-N587 WeakPolarHBondContact CE2-O 3.25Å; F576-N587 HydrophobicContact CZ-CB 4.06Å; F576-D588 WeakPolarHBondContact CA-O 3.45Å; F576-I589 HydrophobicContact CD2-CB 4.14Å; F576-P609 HydrophobicContact CE1-CB 4.43Å; F576-P609 HydrophobicContact CE2-CB 4.48Å; F576-P609 HydrophobicContact CE2-CG 4.12Å; F576-P609 HydrophobicContact CZ-CB 3.78Å; F576-P609 HydrophobicContact CZ-CG 3.91Å; F576-K612 HydrophobicContact CE1-CD 4.24Å; F576-K612 HydrophobicContact CE1-CG 3.85Å; F576-L617 HydrophobicContact CB-CD2 4.28Å; F576-L626 HydrophobicContact CB-CD1 4.44Å; F576-L626 HydrophobicContact CD1-CD1 3.47Å; F576-L626 VanDerWaalsContact CD1-CD1 3.47Å; F576-L626 HydrophobicContact CD1-CD2 3.64Å; F576-L626 HydrophobicContact CD1-CG 4.22Å; F576-L626 HydrophobicContact CE1-CD1 4.04Å; F576-L626 HydrophobicContact CE1-CD2 3.41Å; F576-L626 VanDerWaalsContact CE1-CD2 3.41Å; F576-L626 HydrophobicContact CE1-CG 4.39Å; F576-L626 HydrophobicContact CE2-CD2 4.34Å; F576-L626 HydrophobicContact CG-CD1 4.09Å; F576-L626 HydrophobicContact CG-CD2 4.22Å; F576-L626 HydrophobicContact CZ-CD2 3.8Å; F576-W658 AromaticContact CD2-CH2 3.66Å; F576-W658 HydrophobicContact CD2-CH2 3.66Å; F576-W658 AromaticContact CD2-CZ2 3.46Å; F576-W658 HydrophobicContact CD2-CZ2 3.46Å; F576-W658 VanDerWaalsContact CD2-CZ2 3.46Å; F576-W658 AromaticContact CE2-CH2 3.85Å; F576-W658 HydrophobicContact CE2-CH2 3.85Å; F576-W658 AromaticContact CE2-CZ2 3.51Å; F576-W658 HydrophobicContact CE2-CZ2 3.51Å; F576-W658 HydrophobicContact CG-CH2 4.27Å; F576-W658 HydrophobicContact CG-CZ2 4.46Å
577	G	92.6	Very high	87.9	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	60.4	-140.1	166.3	0	0	0	0	0	114.5	R560 H563 L586 D588	R560-G577 WeakPolarHBondContact CD-O 3.46Å; R560-G577 PolarHBondContact NH1-O 2.95Å; H563-G577 WeakPolarHBondContact CB-O 3.32Å; G577-L586 WeakPolarHBondContact CA-O 3.17Å; G577-D588 PolarHBondContact N-O 3.04Å
578	G	90.3	Very high	88	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	97.6	-164.2	-172.7	0	0	0	0	0	113	F561 L586 K612	F561-G578 CarbonylContact O-C 3.51Å; F561-G578 WeakPolarHBondContact O-CA 3.4Å; G578-L586 PolarHBondContact O-N 2.91Å; G578-K612 PolarHBondContact N-O 3.11Å
579	M	87	Confident	88.2	Confident	8 Å²	8	32.1 Å²	32.1	4%	0.039	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	144.1	-178.6	-70.1	166.2	77.8	0	0	111.7	R560 F561 F583 G584 F585 A613	R560-M579 CarbonylContact C-O 3.31Å; R560-M579 WeakPolarHBondContact CA-O 3.46Å; F561-M579 HydrophobicContact CD1-CB 4.28Å; F561-M579 VanDerWaalsContact CD1-O 3.23Å; F561-M579 WeakPolarHBondContact CD1-O 3.24Å; F561-M579 HydrophobicContact CD2-CB 4.28Å; F561-M579 HydrophobicContact CE1-CB 3.77Å; F561-M579 HydrophobicContact CE2-CB 3.72Å; F561-M579 HydrophobicContact CE2-CE 4.48Å; F561-M579 HydrophobicContact CE2-CG 4.39Å; F561-M579 HydrophobicContact CE2-SD 3.93Å; F561-M579 HydrophobicContact CZ-CB 3.46Å; F561-M579 VanDerWaalsContact CZ-CB 3.46Å; F561-M579 HydrophobicContact CZ-CE 4.18Å; F561-M579 HydrophobicContact CZ-CG 4.38Å; F561-M579 HydrophobicContact CZ-SD 4.15Å; F561-M579 PolarHBondContact N-O 3.31Å; F561-M579 PolarHBondContact O-N 3Å; M579-F583 HydrophobicContact CE-CB 4Å; M579-F583 HydrophobicContact CE-CD1 3.67Å; M579-F583 HydrophobicContact CE-CG 4.29Å; M579-G584 VanDerWaalsContact CA-O 3.31Å; M579-G584 WeakPolarHBondContact CA-O 3.35Å; M579-F585 HydrophobicContact CE-CE1 3.96Å; M579-F585 HydrophobicContact CE-CE2 4.03Å; M579-F585 HydrophobicContact CE-CZ 3.61Å; M579-F585 HydrophobicContact CG-CD1 3.63Å; M579-F585 HydrophobicContact CG-CE1 3.6Å; M579-F585 HydrophobicContact CG-CG 4.24Å; M579-F585 HydrophobicContact CG-CZ 4.2Å; M579-F585 HydrophobicContact SD-CD1 4.11Å; M579-F585 HydrophobicContact SD-CE1 3.41Å; M579-F585 WeakPolarHBondContact SD-CE1 3.48Å; M579-F585 HydrophobicContact SD-CZ 3.69Å; M579-A613 HydrophobicContact CG-CB 3.65Å; M579-A613 HydrophobicContact SD-CB 3.61Å
580	T	85.7	Confident	88.6	Confident	19 Å²	19	24.9 Å²	24.9	12%	0.117	15%	0.15	C	C	.	.			trans	-80.2	167.7	170.9	64.4	0	0	0	0	111.8	F561 T582 F583 G584 L586	F561-T580 VanDerWaalsContact CE1-O 3.29Å; F561-T580 WeakPolarHBondContact CE1-O 3.15Å; T580-T582 PolarHBondContact O-N 2.97Å; T580-T582 PolarHBondContact OG1-N 3.22Å; T580-T582 PolarHBondContact OG1-OG1 2.76Å; T580-F583 WeakPolarHBondContact O-CA 3.33Å; T580-F583 PolarHBondContact O-N 3.37Å; T580-G584 PolarHBondContact N-O 3.03Å; T580-G584 PolarHBondContact OG1-N 2.84Å; T580-L586 HydrophobicContact CG2-CD1 4.09Å; T580-L586 HydrophobicContact CG2-CD2 4.14Å; T580-L586 HydrophobicContact CG2-CG 4.33Å
581	S	75.4	Confident	89	Confident	48 Å²	48	24.5 Å²	24.5	34%	0.336	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-21.4	169.9	-51.1	0	0	0	0	114.3	F583 A951	S581-F583 VanDerWaalsContact C-N 3.31Å; S581-A951 VanDerWaalsContact OG-CB 3.22Å; S581-A951 WeakPolarHBondContact OG-CB 3.2Å; S581-A951 PolarHBondContact OG-N 3.04Å
582	T	75.2	Confident	89.2	Confident	120 Å²	120	24.2 Å²	24.2	74%	0.736	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.1	15.3	176.3	53.2	0	0	0	0	112.8	T580 G584	T580-T582 PolarHBondContact O-N 2.97Å; T580-T582 PolarHBondContact OG1-N 3.22Å; T580-T582 PolarHBondContact OG1-OG1 2.76Å; T582-G584 PolarHBondContact O-N 2.81Å; T582-G584 VanDerWaalsContact O-N 3.15Å
583	F	74.3	Confident	89.1	Confident	64 Å²	64	26.6 Å²	26.6	28%	0.281	15%	0.15	S	C	.	.			trans	59.5	19	-177.4	-60.3	-98.5	0	0	0	114.3	F561 M579 T580 S581 F585 Q946	F561-F583 HydrophobicContact CZ-CD1 4.49Å; F561-F583 HydrophobicContact CZ-CE1 4.47Å; M579-F583 HydrophobicContact CE-CB 4Å; M579-F583 HydrophobicContact CE-CD1 3.67Å; M579-F583 HydrophobicContact CE-CG 4.29Å; T580-F583 WeakPolarHBondContact O-CA 3.33Å; T580-F583 PolarHBondContact O-N 3.37Å; S581-F583 VanDerWaalsContact C-N 3.31Å; F583-F585 PolarHBondContact O-N 2.97Å; F583-Q946 VanDerWaalsContact CD2-NE2 3.26Å; F583-Q946 HydrophobicContact CE1-CG 4.44Å; F583-Q946 HydrophobicContact CE2-CG 3.77Å; F583-Q946 HydrophobicContact CZ-CG 3.67Å
584	G	81.9	Confident	88.8	Confident	30 Å²	30	26.3 Å²	26.3	31%	0.309	15%	0.148	S	C	.	.			trans	-74.1	123.3	173.6	0	0	0	0	0	111	M579 T580 T582	M579-G584 VanDerWaalsContact CA-O 3.31Å; M579-G584 WeakPolarHBondContact CA-O 3.35Å; T580-G584 PolarHBondContact N-O 3.03Å; T580-G584 PolarHBondContact OG1-N 2.84Å; T582-G584 PolarHBondContact O-N 2.81Å; T582-G584 VanDerWaalsContact O-N 3.15Å
585	F	88.6	Confident	88.3	Confident	40 Å²	40	27.4 Å²	27.4	18%	0.175	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	144.4	177.7	-72	-86.1	0	0	0	112.2	M579 F583 P611 A613 W630 P632	M579-F585 HydrophobicContact CE-CE1 3.96Å; M579-F585 HydrophobicContact CE-CE2 4.03Å; M579-F585 HydrophobicContact CE-CZ 3.61Å; M579-F585 HydrophobicContact CG-CD1 3.63Å; M579-F585 HydrophobicContact CG-CE1 3.6Å; M579-F585 HydrophobicContact CG-CG 4.24Å; M579-F585 HydrophobicContact CG-CZ 4.2Å; M579-F585 HydrophobicContact SD-CD1 4.11Å; M579-F585 HydrophobicContact SD-CE1 3.41Å; M579-F585 WeakPolarHBondContact SD-CE1 3.48Å; M579-F585 HydrophobicContact SD-CZ 3.69Å; F583-F585 PolarHBondContact O-N 2.97Å; F585-P611 HydrophobicContact CB-CB 3.72Å; F585-A613 HydrophobicContact CD1-CB 4.16Å; F585-A613 HydrophobicContact CE1-CB 3.9Å; F585-W630 AromaticContact CE1-CD1 3.42Å; F585-W630 VanDerWaalsContact CE1-CD1 3.42Å; F585-W630 AromaticContact CE1-NE1 3.57Å; F585-W630 AromaticContact CZ-CD1 3.73Å; F585-W630 AromaticContact CZ-NE1 3.86Å; F585-P632 HydrophobicContact CD2-CB 4.2Å; F585-P632 HydrophobicContact CD2-CG 3.87Å; F585-P632 HydrophobicContact CE2-CB 4.3Å; F585-P632 HydrophobicContact CE2-CG 4.42Å; F585-P632 HydrophobicContact CG-CG 4.36Å
586	L	92	Very high	87.6	Confident	23 Å²	23	30.9 Å²	30.9	12%	0.12	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	149.9	-176.2	-55.3	175	0	0	0	111.6	R560 G577 G578 T580 D588 P611 K612	R560-L586 HydrophobicContact CB-CD1 4.27Å; R560-L586 VanDerWaalsContact CZ-CD1 3.45Å; G577-L586 WeakPolarHBondContact CA-O 3.17Å; G578-L586 PolarHBondContact O-N 2.91Å; T580-L586 HydrophobicContact CG2-CD1 4.09Å; T580-L586 HydrophobicContact CG2-CD2 4.14Å; T580-L586 HydrophobicContact CG2-CG 4.33Å; L586-D588 WeakPolarHBondContact CB-OD1 3.26Å; L586-P611 WeakPolarHBondContact O-CA 3.3Å; L586-K612 PolarHBondContact O-N 3.38Å
587	N	93.4	Very high	87.1	Confident	62 Å²	62	33.4 Å²	33.4	33%	0.332	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	18.7	172.1	66.5	-21.1	0	0	0	113.1	F576 P609 P611	F576-N587 HydrophobicContact CE2-CB 4.5Å; F576-N587 VanDerWaalsContact CE2-O 3.23Å; F576-N587 WeakPolarHBondContact CE2-O 3.25Å; F576-N587 HydrophobicContact CZ-CB 4.06Å; N587-P609 WeakPolarHBondContact CB-O 3.35Å; N587-P609 PolarHBondContact ND2-O 3.38Å; N587-P611 HydrophobicContact CB-CB 4.34Å; N587-P611 HydrophobicContact CB-CG 4.03Å
588	D	93.8	Very high	86.7	Confident	18 Å²	18	35.8 Å²	35.8	10%	0.096	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	147	178.3	56.8	-12.4	0	0	0	111.5	R560 F576 G577 L586 W590	R560-D588 IonicContact CZ-OD1 3.66Å; R560-D588 IonicContact CZ-OD2 2.71Å; R560-D588 IonicContact NH1-OD1 2.98Å; R560-D588 PolarHBondContact NH1-OD1 2.86Å; R560-D588 IonicContact NH1-OD2 3.56Å; R560-D588 IonicContact NH2-OD1 3.84Å; R560-D588 PolarHBondContact NH2-OD1 3.1Å; R560-D588 IonicContact NH2-OD2 2.65Å; R560-D588 PolarHBondContact NH2-OD2 3.38Å; F576-D588 WeakPolarHBondContact CA-O 3.45Å; G577-D588 PolarHBondContact N-O 3.04Å; L586-D588 WeakPolarHBondContact CB-OD1 3.26Å; D588-W590 VanDerWaalsContact CG-NE1 3.3Å; D588-W590 PolarHBondContact OD2-NE1 3.41Å
589	I	95.3	Very high	86.7	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.5	172.8	-174.5	167	0	0	0	111.4	V575 F576 L602 S604 L624 Y651 W658	V575-I589 WeakPolarHBondContact O-CA 3.45Å; F576-I589 HydrophobicContact CD2-CB 4.14Å; I589-L602 HydrophobicContact CD1-CD1 4.24Å; I589-L602 HydrophobicContact CG1-CD1 4.08Å; I589-L602 HydrophobicContact CG2-CB 4.07Å; I589-L602 PolarHBondContact O-N 2.65Å; I589-S604 WeakPolarHBondContact CG2-OG 3.5Å; I589-L624 HydrophobicContact CD1-CD1 3.81Å; I589-Y651 HydrophobicContact CD1-CD1 3.69Å; I589-Y651 HydrophobicContact CD1-CD2 4.21Å; I589-Y651 HydrophobicContact CD1-CE1 3.88Å; I589-Y651 HydrophobicContact CD1-CE2 4.38Å; I589-Y651 HydrophobicContact CD1-CG 3.85Å; I589-Y651 HydrophobicContact CG2-CE2 4.15Å; I589-W658 HydrophobicContact CB-CZ2 4.21Å; I589-W658 HydrophobicContact CD1-CH2 4.42Å; I589-W658 HydrophobicContact CD1-CZ2 3.96Å; I589-W658 HydrophobicContact CG2-CZ2 4.34Å
590	W	94.6	Very high	86.8	Confident	12 Å²	12	42.7 Å²	42.7	5%	0.045	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	145.7	-176.1	-70	84.2	0	0	0	111	A555 I557 F574 V575 D588 W599 R601	A555-W590 HydrophobicContact CB-CH2 4.08Å; A555-W590 HydrophobicContact CB-CZ3 4.29Å; A555-W590 VanDerWaalsContact O-CZ3 3.32Å; A555-W590 WeakPolarHBondContact O-CZ3 3.47Å; I557-W590 HydrophobicContact CB-CD2 4.06Å; I557-W590 HydrophobicContact CB-CE3 4.07Å; I557-W590 HydrophobicContact CB-CH2 4.43Å; I557-W590 HydrophobicContact CB-CZ2 4.44Å; I557-W590 HydrophobicContact CB-CZ3 4.26Å; I557-W590 HydrophobicContact CD1-CB 3.79Å; I557-W590 HydrophobicContact CD1-CD2 3.93Å; I557-W590 HydrophobicContact CD1-CG 3.54Å; I557-W590 HydrophobicContact CG1-CD2 3.89Å; I557-W590 HydrophobicContact CG1-CE3 4.41Å; I557-W590 HydrophobicContact CG1-CG 4.01Å; I557-W590 HydrophobicContact CG1-CZ2 4.42Å; F574-W590 CarbonylContact C-O 3.37Å; F574-W590 VanDerWaalsContact CA-O 3.31Å; F574-W590 WeakPolarHBondContact CA-O 3.48Å; V575-W590 PolarHBondContact N-O 2.94Å; V575-W590 PolarHBondContact O-N 3.26Å; D588-W590 VanDerWaalsContact CG-NE1 3.3Å; D588-W590 PolarHBondContact OD2-NE1 3.41Å; W590-W599 HydrophobicContact CB-CE3 3.83Å; W590-W599 HydrophobicContact CB-CZ3 3.83Å; W590-W599 HydrophobicContact CE3-CB 4.11Å; W590-W599 HydrophobicContact CE3-CE3 4.39Å; W590-W599 HydrophobicContact CZ3-CB 4.24Å; W590-R601 HydrophobicContact CD2-CB 3.98Å; W590-R601 HydrophobicContact CD2-CG 4.27Å; W590-R601 HydrophobicContact CE3-CB 3.83Å; W590-R601 VanDerWaalsContact CE3-N 3.31Å; W590-R601 HydrophobicContact CH2-CB 3.85Å; W590-R601 HydrophobicContact CH2-CG 4.48Å; W590-R601 HydrophobicContact CZ2-CB 3.97Å; W590-R601 HydrophobicContact CZ2-CG 4.11Å; W590-R601 HydrophobicContact CZ3-CB 3.76Å
591	K	93.6	Very high	87.1	Confident	54 Å²	54	48.7 Å²	48.7	24%	0.235	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	124.4	172.1	-178.4	179.3	-178.1	176.2	0	109.1	S572 I573 F574 W599 K600 L602	S572-K591 VanDerWaalsContact CB-CE 3.41Å; S572-K591 WeakPolarHBondContact OG-CE 3.37Å; I573-K591 CarbonylContact O-C 3.57Å; I573-K591 WeakPolarHBondContact O-CA 3.37Å; F574-K591 HydrophobicContact CD1-CB 4.19Å; F574-K591 HydrophobicContact CD1-CG 4.41Å; F574-K591 HydrophobicContact CE1-CB 4.05Å; F574-K591 HydrophobicContact CE1-CD 4.01Å; F574-K591 HydrophobicContact CE1-CG 4.01Å; F574-K591 HydrophobicContact CE2-CG 4.45Å; F574-K591 HydrophobicContact CZ-CD 3.86Å; F574-K591 HydrophobicContact CZ-CG 4.03Å; K591-W599 CarbonylContact O-C 3.51Å; K591-K600 PolarHBondContact N-O 2.82Å; K591-K600 PolarHBondContact O-N 2.95Å; K591-L602 HydrophobicContact CB-CD1 4.12Å; K591-L602 HydrophobicContact CB-CD2 3.75Å; K591-L602 HydrophobicContact CB-CG 4.05Å; K591-L602 HydrophobicContact CD-CD2 4.27Å
592	F	91.5	Very high	87.9	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.009	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	119.7	167.1	-174	-114.8	0	0	0	109	V546 S572 I573 L594 R597 W599 V924 V955	V546-F592 HydrophobicContact CG1-CZ 4.28Å; V546-F592 HydrophobicContact CG2-CZ 4.43Å; S572-F592 VanDerWaalsContact CA-O 3.28Å; S572-F592 WeakPolarHBondContact CA-O 3.06Å; S572-F592 WeakPolarHBondContact CB-O 3.35Å; I573-F592 HydrophobicContact CB-CB 4.3Å; I573-F592 PolarHBondContact N-O 3.41Å; I573-F592 PolarHBondContact O-N 3.35Å; F592-L594 HydrophobicContact CD1-CD2 3.81Å; F592-L594 HydrophobicContact CE1-CD2 3.93Å; F592-R597 VanDerWaalsContact CE2-C 3.43Å; F592-R597 HydrophobicContact CE2-CB 4.48Å; F592-R597 VanDerWaalsContact CE2-O 3.25Å; F592-R597 WeakPolarHBondContact CE2-O 3.42Å; F592-R597 HydrophobicContact CZ-CB 4.08Å; F592-W599 HydrophobicContact CB-CD2 3.97Å; F592-W599 HydrophobicContact CB-CE3 3.73Å; F592-W599 HydrophobicContact CB-CH2 3.76Å; F592-W599 HydrophobicContact CB-CZ2 3.98Å; F592-W599 HydrophobicContact CB-CZ3 3.64Å; F592-W599 AromaticContact CD2-CD1 3.81Å; F592-W599 AromaticContact CD2-CD2 3.7Å; F592-W599 HydrophobicContact CD2-CD2 3.7Å; F592-W599 AromaticContact CD2-CE2 3.51Å; F592-W599 HydrophobicContact CD2-CE3 4.33Å; F592-W599 AromaticContact CD2-CG 3.88Å; F592-W599 HydrophobicContact CD2-CG 3.88Å; F592-W599 HydrophobicContact CD2-CZ2 4.03Å; F592-W599 AromaticContact CD2-NE1 3.58Å; F592-W599 AromaticContact CE2-NE1 3.87Å; F592-W599 HydrophobicContact CG-CD2 4.26Å; F592-W599 HydrophobicContact CG-CE3 4.5Å; F592-W599 HydrophobicContact CG-CH2 4.39Å; F592-W599 HydrophobicContact CG-CZ2 4.12Å; F592-V924 HydrophobicContact CE1-CG1 4.28Å; F592-V955 HydrophobicContact CE1-CG1 3.97Å; F592-V955 HydrophobicContact CE2-CG2 4.16Å; F592-V955 HydrophobicContact CZ-CB 4.33Å; F592-V955 HydrophobicContact CZ-CG1 3.89Å; F592-V955 HydrophobicContact CZ-CG2 4.26Å
593	N	88.6	Confident	88.6	Confident	52 Å²	52	45.1 Å²	45.1	28%	0.278	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	119.7	176.3	-177.1	-32.9	0	0	0	109.5	T595 T596 R597 V598	N593-T595 VanDerWaalsContact C-N 3.31Å; N593-T595 PolarHBondContact O-N 2.74Å; N593-T595 WeakPolarHBondContact OD1-CA 3.36Å; N593-T595 VanDerWaalsContact OD1-CB 3.29Å; N593-T595 WeakPolarHBondContact OD1-CB 3.32Å; N593-T595 PolarHBondContact OD1-N 2.78Å; N593-T596 WeakPolarHBondContact CB-OG1 3.39Å; N593-T596 PolarHBondContact OD1-N 2.76Å; N593-R597 VanDerWaalsContact O-CA 3.23Å; N593-R597 WeakPolarHBondContact O-CA 3.47Å; N593-R597 PolarHBondContact O-N 2.69Å; N593-V598 PolarHBondContact N-O 3.08Å
594	L	86.8	Confident	89.3	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-20.3	-176.8	-62	168.5	0	0	0	113.3	S505 Y507 Y567 G571 I573 F592 R597 V924	S505-L594 PolarHBondContact OG-O 3.08Å; Y507-L594 HydrophobicContact CD1-CB 4.33Å; Y507-L594 HydrophobicContact CD2-CB 3.8Å; Y507-L594 HydrophobicContact CE1-CB 3.96Å; Y507-L594 HydrophobicContact CE1-CD1 3.83Å; Y507-L594 HydrophobicContact CE2-CB 3.42Å; Y507-L594 VanDerWaalsContact CE2-CB 3.42Å; Y507-L594 HydrophobicContact CE2-CG 4.48Å; Y507-L594 HydrophobicContact CG-CB 4.26Å; Y507-L594 VanDerWaalsContact CZ-CB 3.49Å; Y567-L594 HydrophobicContact CD2-CD1 4Å; Y567-L594 HydrophobicContact CE2-CD1 3.62Å; G571-L594 WeakPolarHBondContact O-CB 3.31Å; G571-L594 PolarHBondContact O-N 2.72Å; I573-L594 HydrophobicContact CD1-CD2 3.89Å; I573-L594 HydrophobicContact CG1-CD1 4.3Å; I573-L594 HydrophobicContact CG1-CD2 4.16Å; I573-L594 HydrophobicContact CG1-CG 4.49Å; F592-L594 HydrophobicContact CD1-CD2 3.81Å; F592-L594 HydrophobicContact CE1-CD2 3.93Å; L594-R597 WeakPolarHBondContact O-CD 3.49Å; L594-R597 PolarHBondContact O-NE 3.16Å; L594-R597 VanDerWaalsContact O-NE 3.1Å; L594-V924 HydrophobicContact CD2-CG2 3.82Å
595	T	82.3	Confident	89.7	Confident	23 Å²	23	49.3 Å²	49.3	14%	0.141	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-59.3	171	-50.1	0	0	0	0	110.2	S505 Y507 A508 E509 N593	S505-T595 WeakPolarHBondContact OG-CA 3.39Å; S505-T595 PolarHBondContact OG-O 2.94Å; Y507-T595 VanDerWaalsContact CB-OG1 3.31Å; Y507-T595 WeakPolarHBondContact CB-OG1 3.18Å; A508-T595 HydrophobicContact CB-CG2 3.96Å; A508-T595 PolarHBondContact N-OG1 2.89Å; E509-T595 HydrophobicContact CG-CG2 3.96Å; N593-T595 VanDerWaalsContact C-N 3.31Å; N593-T595 PolarHBondContact O-N 2.74Å; N593-T595 WeakPolarHBondContact OD1-CA 3.36Å; N593-T595 VanDerWaalsContact OD1-CB 3.29Å; N593-T595 WeakPolarHBondContact OD1-CB 3.32Å; N593-T595 PolarHBondContact OD1-N 2.78Å
596	T	81.4	Confident	89.8	Confident	73 Å²	73	50.1 Å²	50.1	45%	0.448	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-12	-170.2	62.7	0	0	0	0	114	N593 V598	N593-T596 WeakPolarHBondContact CB-OG1 3.39Å; N593-T596 PolarHBondContact OD1-N 2.76Å; T596-V598 PolarHBondContact O-N 2.69Å
597	R	84.8	Confident	89.7	Confident	54 Å²	54	53 Å²	53	20%	0.204	28%	0.276	C	S	.	.			trans	58.6	28.1	-174.8	-50.5	-60.4	179.6	174.2	-3.1	114.3	V546 F592 N593 L594 E922	V546-R597 HydrophobicContact CG1-CB 3.7Å; V546-R597 HydrophobicContact CG1-CG 4.41Å; F592-R597 VanDerWaalsContact CE2-C 3.43Å; F592-R597 HydrophobicContact CE2-CB 4.48Å; F592-R597 VanDerWaalsContact CE2-O 3.25Å; F592-R597 WeakPolarHBondContact CE2-O 3.42Å; F592-R597 HydrophobicContact CZ-CB 4.08Å; N593-R597 VanDerWaalsContact O-CA 3.23Å; N593-R597 WeakPolarHBondContact O-CA 3.47Å; N593-R597 PolarHBondContact O-N 2.69Å; L594-R597 WeakPolarHBondContact O-CD 3.49Å; L594-R597 PolarHBondContact O-NE 3.16Å; L594-R597 VanDerWaalsContact O-NE 3.1Å; R597-E922 IonicContact CZ-OE1 3.98Å; R597-E922 IonicContact CZ-OE2 2.66Å; R597-E922 IonicContact NH1-OE1 3.65Å; R597-E922 PolarHBondContact NH1-OE1 2.76Å; R597-E922 IonicContact NH1-OE2 2.72Å; R597-E922 PolarHBondContact NH1-OE2 2.96Å; R597-E922 VanDerWaalsContact NH2-CD 3.34Å; R597-E922 IonicContact NH2-OE1 2.87Å; R597-E922 PolarHBondContact NH2-OE1 2.92Å; R597-E922 VanDerWaalsContact NH2-OE1 3.16Å; R597-E922 IonicContact NH2-OE2 3.51Å; R597-E922 PolarHBondContact NH2-OE2 2.85Å
598	V	84.3	Confident	89.6	Confident	50 Å²	50	54.4 Å²	54.4	30%	0.303	28%	0.284	S	S	.	.			trans	-107.4	138.4	-179	172.8	0	0	0	0	111	N593 T596	N593-V598 PolarHBondContact N-O 3.08Å; T596-V598 PolarHBondContact O-N 2.69Å
599	W	89.3	Confident	89.6	Confident	11 Å²	11	53.7 Å²	53.7	4%	0.042	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	136.4	168	-74.7	103.7	0	0	0	111.3	I557 V575 W590 K591 F592 F926 V955	I557-W599 HydrophobicContact CB-CD2 4.1Å; I557-W599 HydrophobicContact CB-CE3 4.41Å; I557-W599 HydrophobicContact CB-CG 4.25Å; I557-W599 HydrophobicContact CD1-CD2 4.43Å; I557-W599 HydrophobicContact CD1-CE3 4.01Å; I557-W599 HydrophobicContact CD1-CH2 4.04Å; I557-W599 HydrophobicContact CD1-CZ2 4.46Å; I557-W599 HydrophobicContact CD1-CZ3 3.79Å; I557-W599 HydrophobicContact CG2-CD2 3.72Å; I557-W599 HydrophobicContact CG2-CE3 4.37Å; I557-W599 HydrophobicContact CG2-CG 3.92Å; I557-W599 HydrophobicContact CG2-CZ2 4.02Å; V575-W599 HydrophobicContact CB-CH2 4.38Å; V575-W599 HydrophobicContact CB-CZ3 4.25Å; V575-W599 HydrophobicContact CG2-CH2 3.73Å; V575-W599 HydrophobicContact CG2-CZ3 4.03Å; W590-W599 HydrophobicContact CB-CE3 3.83Å; W590-W599 HydrophobicContact CB-CZ3 3.83Å; W590-W599 HydrophobicContact CE3-CB 4.11Å; W590-W599 HydrophobicContact CE3-CE3 4.39Å; W590-W599 HydrophobicContact CZ3-CB 4.24Å; K591-W599 CarbonylContact O-C 3.51Å; F592-W599 HydrophobicContact CB-CD2 3.97Å; F592-W599 HydrophobicContact CB-CE3 3.73Å; F592-W599 HydrophobicContact CB-CH2 3.76Å; F592-W599 HydrophobicContact CB-CZ2 3.98Å; F592-W599 HydrophobicContact CB-CZ3 3.64Å; F592-W599 AromaticContact CD2-CD1 3.81Å; F592-W599 AromaticContact CD2-CD2 3.7Å; F592-W599 HydrophobicContact CD2-CD2 3.7Å; F592-W599 AromaticContact CD2-CE2 3.51Å; F592-W599 HydrophobicContact CD2-CE3 4.33Å; F592-W599 AromaticContact CD2-CG 3.88Å; F592-W599 HydrophobicContact CD2-CG 3.88Å; F592-W599 HydrophobicContact CD2-CZ2 4.03Å; F592-W599 AromaticContact CD2-NE1 3.58Å; F592-W599 AromaticContact CE2-NE1 3.87Å; F592-W599 HydrophobicContact CG-CD2 4.26Å; F592-W599 HydrophobicContact CG-CE3 4.5Å; F592-W599 HydrophobicContact CG-CH2 4.39Å; F592-W599 HydrophobicContact CG-CZ2 4.12Å; W599-F926 AromaticContact CH2-CD1 3.98Å; W599-F926 HydrophobicContact CH2-CD1 3.98Å; W599-F926 HydrophobicContact CH2-CD2 4.39Å; W599-F926 HydrophobicContact CH2-CE1 4.13Å; W599-F926 HydrophobicContact CH2-CE2 4.5Å; W599-F926 HydrophobicContact CH2-CG 4.12Å; W599-F926 HydrophobicContact CH2-CZ 4.39Å; W599-F926 HydrophobicContact CZ2-CD1 4.06Å; W599-F926 AromaticContact CZ2-CD2 3.65Å; W599-F926 HydrophobicContact CZ2-CD2 3.65Å; W599-F926 HydrophobicContact CZ2-CE1 4.24Å; W599-F926 AromaticContact CZ2-CE2 3.81Å; W599-F926 HydrophobicContact CZ2-CE2 3.81Å; W599-F926 AromaticContact CZ2-CG 3.77Å; W599-F926 HydrophobicContact CZ2-CG 3.77Å; W599-F926 HydrophobicContact CZ2-CZ 4.12Å; W599-V955 HydrophobicContact CZ2-CG2 3.7Å
600	K	90.1	Very high	89.4	Confident	142 Å²	142	58 Å²	58	62%	0.617	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.1	118.7	170	-178.5	172.6	-178.4	174.8	0	109	K591 L602	K591-K600 PolarHBondContact N-O 2.82Å; K591-K600 PolarHBondContact O-N 2.95Å; K600-L602 PolarHBondContact O-N 3.44Å
601	R	92.4	Very high	89.2	Confident	145 Å²	145	59.7 Å²	59.7	55%	0.547	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	131.8	166.1	-168.8	175.6	179	179	1	108.1	W590	W590-R601 HydrophobicContact CD2-CB 3.98Å; W590-R601 HydrophobicContact CD2-CG 4.27Å; W590-R601 HydrophobicContact CE3-CB 3.83Å; W590-R601 VanDerWaalsContact CE3-N 3.31Å; W590-R601 HydrophobicContact CH2-CB 3.85Å; W590-R601 HydrophobicContact CH2-CG 4.48Å; W590-R601 HydrophobicContact CZ2-CB 3.97Å; W590-R601 HydrophobicContact CZ2-CG 4.11Å; W590-R601 HydrophobicContact CZ3-CB 3.76Å
602	L	92.6	Very high	89.1	Confident	21 Å²	21	57.2 Å²	57.2	11%	0.11	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-91.6	159.7	179.3	-54	177.4	0	0	0	110.9	F574 I589 K591 K600 Y651	F574-L602 HydrophobicContact CD1-CD1 3.74Å; F574-L602 HydrophobicContact CE1-CD1 3.52Å; I589-L602 HydrophobicContact CD1-CD1 4.24Å; I589-L602 HydrophobicContact CG1-CD1 4.08Å; I589-L602 HydrophobicContact CG2-CB 4.07Å; I589-L602 PolarHBondContact O-N 2.65Å; K591-L602 HydrophobicContact CB-CD1 4.12Å; K591-L602 HydrophobicContact CB-CD2 3.75Å; K591-L602 HydrophobicContact CB-CG 4.05Å; K591-L602 HydrophobicContact CD-CD2 4.27Å; K600-L602 PolarHBondContact O-N 3.44Å; L602-Y651 VanDerWaalsContact CB-OH 3.26Å; L602-Y651 WeakPolarHBondContact CB-OH 3.4Å; L602-Y651 HydrophobicContact CD1-CE1 3.82Å
603	P	89.5	Confident	89.1	Confident	71 Å²	71	57.1 Å²	57.1	46%	0.461	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-54.2	155.5	165.9	-23	34.6	0	0	0	111.3	Y651	P603-Y651 WeakPolarHBondContact O-CE2 3.47Å; P603-Y651 PolarHBondContact O-OH 2.89Å
604	S	88	Confident	89.1	Confident	43 Å²	43	54.7 Å²	54.7	30%	0.301	28%	0.284	S	S	.	.			trans	-142.2	100.1	172	-62.8	0	0	0	0	107.4	I589	I589-S604 WeakPolarHBondContact CG2-OG 3.5Å
605	K	90	Very high	89.4	Confident	140 Å²	140	55 Å²	55	61%	0.609	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.2	169.1	177.2	-59.3	-178.7	180	-178.7	0	109.4	G656 W658	K605-G656 PolarHBondContact N-O 3.07Å; K605-W658 PolarHBondContact O-N 3.41Å
606	G	90.8	Very high	89.9	Confident	56 Å²	56	54.5 Å²	54.5	58%	0.577	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	75.1	-145.8	176.5	0	0	0	0	0	113.4	L608	G606-L608 PolarHBondContact O-N 3.49Å
607	D	90.8	Very high	90.5	Very high	84 Å²	84	51.6 Å²	51.6	45%	0.449	27%	0.266	S	S	.	.	S	Bend	trans	-75.4	81.8	-172	-59	-38.7	0	0	0	111.7	P609 H649 W658 T659 S660	D607-P609 WeakPolarHBondContact O-CD 3.22Å; D607-H649 PolarHBondContact O-CD2 2.82Å; D607-W658 PolarHBondContact N-O 2.83Å; D607-W658 WeakPolarHBondContact O-CB 3.14Å; D607-T659 WeakPolarHBondContact OD2-CA 3.17Å; D607-S660 PolarHBondContact OD2-N 2.88Å
608	L	92	Very high	91	Very high	92 Å²	92	49.7 Å²	49.7	48%	0.482	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-64.2	124.1	-174.3	-60.5	-175.3	0	0	0	112.1	G606	G606-L608 PolarHBondContact O-N 3.49Å
609	P	92.6	Very high	91.5	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.013	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-64.3	143	173.5	-10.5	21.6	0	0	0	111	F576 N587 D607 L626 H649 W658	F576-P609 HydrophobicContact CE1-CB 4.43Å; F576-P609 HydrophobicContact CE2-CB 4.48Å; F576-P609 HydrophobicContact CE2-CG 4.12Å; F576-P609 HydrophobicContact CZ-CB 3.78Å; F576-P609 HydrophobicContact CZ-CG 3.91Å; N587-P609 WeakPolarHBondContact CB-O 3.35Å; N587-P609 PolarHBondContact ND2-O 3.38Å; D607-P609 WeakPolarHBondContact O-CD 3.22Å; P609-L626 HydrophobicContact CB-CD2 3.7Å; P609-L626 HydrophobicContact CG-CD2 3.68Å; P609-H649 HydrophobicContact CG-CB 4Å; P609-W658 HydrophobicContact CG-CD2 3.72Å; P609-W658 HydrophobicContact CG-CE3 3.54Å; P609-W658 HydrophobicContact CG-CG 4.43Å; P609-W658 HydrophobicContact CG-CH2 3.98Å; P609-W658 HydrophobicContact CG-CZ2 4.14Å; P609-W658 HydrophobicContact CG-CZ3 3.67Å
610	R	90.5	Very high	91.8	Very high	92 Å²	92	50.5 Å²	50.5	35%	0.347	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-58.8	147.8	174	-66.4	-167.8	-67.3	179.8	-4.8	111.5	K612 C631	R610-K612 WeakPolarHBondContact O-CE 3.25Å; R610-K612 WeakPolarHBondContact O-CG 3.25Å; R610-K612 PolarHBondContact O-N 2.9Å; R610-C631 PolarHBondContact NH2-SG 3.19Å
611	P	91.5	Very high	91.9	Very high	46 Å²	46	45.6 Å²	45.6	30%	0.299	25%	0.251	S	S	.	.	S	Bend	trans	-51.8	122.8	170.7	-26.2	34.6	0	0	0	111.6	F585 L586 N587 C631	F585-P611 HydrophobicContact CB-CB 3.72Å; L586-P611 WeakPolarHBondContact O-CA 3.3Å; N587-P611 HydrophobicContact CB-CB 4.34Å; N587-P611 HydrophobicContact CB-CG 4.03Å; P611-C631 WeakPolarHBondContact O-CB 3.46Å
612	K	91.7	Very high	91.9	Very high	3 Å²	3	41.9 Å²	41.9	1%	0.013	24%	0.242	C	C	.	.			trans	-154	157.7	-170.4	65.2	172.7	72.8	-157.7	0	113.4	F576 G578 L586 R610 L626 G628 W630 C631 C645	F576-K612 HydrophobicContact CE1-CD 4.24Å; F576-K612 HydrophobicContact CE1-CG 3.85Å; G578-K612 PolarHBondContact N-O 3.11Å; L586-K612 PolarHBondContact O-N 3.38Å; R610-K612 WeakPolarHBondContact O-CE 3.25Å; R610-K612 WeakPolarHBondContact O-CG 3.25Å; R610-K612 PolarHBondContact O-N 2.9Å; K612-L626 HydrophobicContact CD-CD2 4.42Å; K612-G628 WeakPolarHBondContact CD-O 3.46Å; K612-G628 PolarHBondContact NZ-O 3.15Å; K612-W630 WeakPolarHBondContact CA-O 3.47Å; K612-W630 VanDerWaalsContact CB-O 3.24Å; K612-W630 WeakPolarHBondContact CB-O 3.5Å; K612-C631 HydrophobicContact CB-CB 4.35Å; K612-C645 VanDerWaalsContact NZ-CB 3.34Å; K612-C645 PolarHBondContact NZ-SG 2.96Å; K612-C645 VanDerWaalsContact NZ-SG 3.42Å
613	A	90.1	Very high	92	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	169.6	170.4	0	0	0	0	0	110	A562 M579 F585 S615 G629 W630	A562-A613 HydrophobicContact CB-CB 3.97Å; M579-A613 HydrophobicContact CG-CB 3.65Å; M579-A613 HydrophobicContact SD-CB 3.61Å; F585-A613 HydrophobicContact CD1-CB 4.16Å; F585-A613 HydrophobicContact CE1-CB 3.9Å; A613-S615 PolarHBondContact O-N 3.28Å; A613-G629 CarbonylContact O-C 3.41Å; A613-G629 WeakPolarHBondContact O-CA 3.36Å; A613-W630 PolarHBondContact N-O 2.77Å; A613-W630 PolarHBondContact O-N 2.96Å
614	S	89.1	Confident	92.3	Very high	1 Å²	1	42 Å²	42	1%	0.007	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	63.3	27.4	171.4	-51.4	0	0	0	0	114.6	A562 G629 W630 A672 N673 R782	A562-S614 PolarHBondContact O-N 2.96Å; S614-G629 WeakPolarHBondContact O-CA 3.06Å; S614-W630 WeakPolarHBondContact OG-CZ2 3.2Å; S614-A672 WeakPolarHBondContact O-CA 3.19Å; S614-N673 VanDerWaalsContact CB-OD1 3.24Å; S614-N673 WeakPolarHBondContact CB-OD1 3.48Å; S614-N673 PolarHBondContact O-N 3.09Å; S614-N673 PolarHBondContact OG-OD1 2.76Å; S614-N673 VanDerWaalsContact OG-OD1 3.12Å; S614-R782 PolarHBondContact OG-NH2 2.91Å
615	S	92.7	Very high	92.7	Very high	7 Å²	7	40.1 Å²	40.1	5%	0.049	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	164.3	172.4	43.7	0	0	0	0	111.3	A564 A613 F627	A564-S615 WeakPolarHBondContact CB-O 3.06Å; A613-S615 PolarHBondContact O-N 3.28Å; S615-F627 WeakPolarHBondContact CA-O 3.3Å; S615-F627 WeakPolarHBondContact CB-O 3.41Å
616	S	93.3	Very high	93	Very high	12 Å²	12	33.4 Å²	33.4	8%	0.084	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	147.3	170.7	59.3	0	0	0	0	111.2	L626 F627 H674 A676	S616-L626 WeakPolarHBondContact O-CA 3.49Å; S616-F627 PolarHBondContact N-O 2.8Å; S616-F627 PolarHBondContact O-N 2.87Å; S616-H674 WeakPolarHBondContact CB-NE2 3.3Å; S616-H674 PolarHBondContact OG-NE2 3.14Å; S616-A676 VanDerWaalsContact CB-CB 3.41Å
617	L	95.1	Very high	93.1	Very high	12 Å²	12	30.8 Å²	30.8	6%	0.063	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	130.3	173.8	-172.2	72.2	0	0	0	108.6	A564 C566 F574 F576 L624 I625 L626	A564-L617 HydrophobicContact CB-CB 3.64Å; C566-L617 WeakPolarHBondContact CB-O 3.26Å; F574-L617 HydrophobicContact CB-CD2 4.31Å; F576-L617 HydrophobicContact CB-CD2 4.28Å; L617-L624 HydrophobicContact CD1-CB 4Å; L617-I625 CarbonylContact C-O 3.44Å; L617-I625 WeakPolarHBondContact CA-O 3.36Å; L617-L626 HydrophobicContact CD1-CB 3.98Å; L617-L626 HydrophobicContact CD1-CD1 4.19Å
618	I	94.8	Very high	93.2	Very high	13 Å²	13	26.8 Å²	26.8	7%	0.067	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	140.8	178.2	-70.3	-172.9	0	0	0	109.4	L624 I625 A676 L678 M683	I618-L624 CarbonylContact O-C 3.55Å; I618-L624 VanDerWaalsContact O-CA 3.29Å; I618-L624 WeakPolarHBondContact O-CA 3.46Å; I618-I625 PolarHBondContact N-O 3.34Å; I618-I625 PolarHBondContact O-N 3.04Å; I618-A676 HydrophobicContact CD1-CB 3.86Å; I618-A676 HydrophobicContact CG1-CB 4.29Å; I618-L678 HydrophobicContact CD1-CB 4.44Å; I618-L678 HydrophobicContact CG2-CB 3.86Å; I618-L678 HydrophobicContact CG2-CD2 4.17Å; I618-L678 HydrophobicContact CG2-CG 4.42Å; I618-M683 HydrophobicContact CD1-CB 4.26Å; I618-M683 HydrophobicContact CD1-CG 3.67Å; I618-M683 HydrophobicContact CD1-SD 3.96Å
619	A	94.8	Very high	93.1	Very high	21 Å²	21	22.4 Å²	22.4	17%	0.174	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	128.6	170.5	0	0	0	0	0	111	Y567 H568 L624 L678	Y567-A619 WeakPolarHBondContact O-CB 3.39Å; H568-A619 HydrophobicContact CB-CB 4.27Å; A619-L624 HydrophobicContact CB-CD2 3.8Å; A619-L678 WeakPolarHBondContact O-CD2 3.33Å
620	Y	94.6	Very high	92.8	Very high	58 Å²	58	22.9 Å²	22.9	23%	0.227	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	108	177.2	176	-89.9	0	0	0	109.5	D622 K623 L678 D681 I703	Y620-D622 PolarHBondContact O-N 3.05Å; Y620-K623 PolarHBondContact N-O 2.88Å; Y620-K623 WeakPolarHBondContact O-CA 3.24Å; Y620-K623 WeakPolarHBondContact O-CB 3.37Å; Y620-K623 PolarHBondContact O-N 3.28Å; Y620-L678 HydrophobicContact CD2-CD1 4.08Å; Y620-L678 HydrophobicContact CD2-CD2 4.02Å; Y620-D681 HydrophobicContact CE2-CB 4.41Å; Y620-D681 WeakPolarHBondContact CE2-OD1 3.22Å; Y620-D681 PolarHBondContact OH-OD1 3.45Å; Y620-I703 HydrophobicContact CD1-CG2 3.66Å; Y620-I703 HydrophobicContact CD2-CD1 3.69Å; Y620-I703 HydrophobicContact CD2-CG2 4.35Å; Y620-I703 HydrophobicContact CE1-CG2 3.58Å; Y620-I703 HydrophobicContact CE2-CB 4.48Å; Y620-I703 HydrophobicContact CE2-CD1 4.18Å; Y620-I703 HydrophobicContact CE2-CG2 4.28Å; Y620-I703 HydrophobicContact CG-CD1 3.96Å; Y620-I703 HydrophobicContact CG-CG2 4.05Å
621	G	92.7	Very high	92.6	Very high	38 Å²	38	18.6 Å²	18.6	39%	0.392	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	-129.5	-174.2	0	0	0	0	0	112.1	H568 K623	H568-G621 PolarHBondContact NE2-O 2.79Å; G621-K623 PolarHBondContact O-N 3.49Å
622	D	93.4	Very high	92	Very high	67 Å²	67	19.2 Å²	19.2	36%	0.358	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	9.3	172.7	-170.9	64.1	0	0	0	113.3	Y620 C652 I653 S654	Y620-D622 PolarHBondContact O-N 3.05Å; D622-C652 PolarHBondContact OD2-SG 3Å; D622-I653 WeakPolarHBondContact O-CB 3.42Å; D622-I653 WeakPolarHBondContact O-CG1 3.01Å; D622-I653 PolarHBondContact O-N 3.17Å; D622-S654 PolarHBondContact OD1-N 2.87Å; D622-S654 VanDerWaalsContact OD2-CB 3.26Å; D622-S654 WeakPolarHBondContact OD2-CB 3.23Å; D622-S654 PolarHBondContact OD2-N 2.97Å; D622-S654 PolarHBondContact OD2-OG 3.43Å
623	K	94.4	Very high	90.7	Very high	96 Å²	96	21.5 Å²	21.5	42%	0.417	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	147.1	-173.2	-63.6	170.3	178.1	173.8	0	111.5	Y620 G621 Y651	Y620-K623 PolarHBondContact N-O 2.88Å; Y620-K623 WeakPolarHBondContact O-CA 3.24Å; Y620-K623 WeakPolarHBondContact O-CB 3.37Å; Y620-K623 PolarHBondContact O-N 3.28Å; G621-K623 PolarHBondContact O-N 3.49Å; K623-Y651 CarbonylContact C-O 3.52Å; K623-Y651 WeakPolarHBondContact CA-O 3.3Å
624	L	96.2	Very high	89.1	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	123.4	167.4	-50	172.9	0	0	0	108.4	F574 I589 L617 I618 A619 C650 Y651 I653	F574-L624 HydrophobicContact CB-CD1 3.75Å; F574-L624 HydrophobicContact CD1-CD1 3.38Å; F574-L624 HydrophobicContact CD2-CD1 4.28Å; F574-L624 HydrophobicContact CD2-CD2 4.26Å; F574-L624 HydrophobicContact CE1-CD1 3.94Å; F574-L624 HydrophobicContact CG-CD1 3.55Å; F574-L624 HydrophobicContact CG-CD2 4.28Å; I589-L624 HydrophobicContact CD1-CD1 3.81Å; L617-L624 HydrophobicContact CD1-CB 4Å; I618-L624 CarbonylContact O-C 3.55Å; I618-L624 VanDerWaalsContact O-CA 3.29Å; I618-L624 WeakPolarHBondContact O-CA 3.46Å; A619-L624 HydrophobicContact CB-CD2 3.8Å; L624-C650 CarbonylContact O-C 3.52Å; L624-C650 WeakPolarHBondContact O-CA 3.18Å; L624-Y651 HydrophobicContact CD1-CD1 3.83Å; L624-Y651 HydrophobicContact CD1-CE1 4.46Å; L624-Y651 HydrophobicContact CG-CD1 4.31Å; L624-Y651 PolarHBondContact N-O 3Å; L624-Y651 PolarHBondContact O-N 2.75Å; L624-I653 HydrophobicContact CD1-CD1 4.47Å; L624-I653 HydrophobicContact CD1-CG1 4.16Å; L624-I653 HydrophobicContact CD2-CD1 3.85Å; L624-I653 HydrophobicContact CD2-CG1 4.34Å; L624-I653 HydrophobicContact CG-CD1 3.98Å; L624-I653 HydrophobicContact CG-CG1 3.91Å
625	I	95.6	Very high	86.7	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	118.9	-174.8	-58.5	179.3	0	0	0	108.3	L617 I618 L648 M683 I703	L617-I625 CarbonylContact C-O 3.44Å; L617-I625 WeakPolarHBondContact CA-O 3.36Å; I618-I625 PolarHBondContact N-O 3.34Å; I618-I625 PolarHBondContact O-N 3.04Å; I625-L648 HydrophobicContact CG2-CD1 3.47Å; I625-L648 VanDerWaalsContact CG2-CD1 3.47Å; I625-L648 HydrophobicContact CG2-CG 4.27Å; I625-M683 HydrophobicContact CG2-CE 4.07Å; I625-M683 HydrophobicContact CG2-SD 4.03Å; I625-I703 HydrophobicContact CD1-CB 4.47Å; I625-I703 HydrophobicContact CD1-CD1 3.68Å; I625-I703 HydrophobicContact CD1-CG1 3.79Å; I625-I703 HydrophobicContact CD1-CG2 3.81Å
626	L	95.7	Very high	83.9	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	124.7	-177.7	176.8	77.4	0	0	0	109.7	A564 F576 P609 K612 S616 L617 H649 W658	A564-L626 HydrophobicContact CB-CD1 4.16Å; F576-L626 HydrophobicContact CB-CD1 4.44Å; F576-L626 HydrophobicContact CD1-CD1 3.47Å; F576-L626 VanDerWaalsContact CD1-CD1 3.47Å; F576-L626 HydrophobicContact CD1-CD2 3.64Å; F576-L626 HydrophobicContact CD1-CG 4.22Å; F576-L626 HydrophobicContact CE1-CD1 4.04Å; F576-L626 HydrophobicContact CE1-CD2 3.41Å; F576-L626 VanDerWaalsContact CE1-CD2 3.41Å; F576-L626 HydrophobicContact CE1-CG 4.39Å; F576-L626 HydrophobicContact CE2-CD2 4.34Å; F576-L626 HydrophobicContact CG-CD1 4.09Å; F576-L626 HydrophobicContact CG-CD2 4.22Å; F576-L626 HydrophobicContact CZ-CD2 3.8Å; P609-L626 HydrophobicContact CB-CD2 3.7Å; P609-L626 HydrophobicContact CG-CD2 3.68Å; K612-L626 HydrophobicContact CD-CD2 4.42Å; S616-L626 WeakPolarHBondContact O-CA 3.49Å; L617-L626 HydrophobicContact CD1-CB 3.98Å; L617-L626 HydrophobicContact CD1-CD1 4.19Å; L626-H649 HydrophobicContact CB-CB 4.4Å; L626-H649 HydrophobicContact CD2-CB 4.48Å; L626-H649 PolarHBondContact N-O 3.29Å; L626-H649 PolarHBondContact O-N 2.83Å; L626-W658 HydrophobicContact CB-CH2 4.33Å; L626-W658 HydrophobicContact CB-CZ3 3.99Å; L626-W658 HydrophobicContact CD2-CH2 4.02Å; L626-W658 HydrophobicContact CD2-CZ3 4Å
627	F	94.6	Very high	81	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	148.6	177.6	-175.1	-98.3	0	0	0	113.4	S615 S616 D646 L648 L671 H674 M683 L685 W708	S615-F627 WeakPolarHBondContact CA-O 3.3Å; S615-F627 WeakPolarHBondContact CB-O 3.41Å; S616-F627 PolarHBondContact N-O 2.8Å; S616-F627 PolarHBondContact O-N 2.87Å; F627-D646 WeakPolarHBondContact CE2-O 3.29Å; F627-L648 HydrophobicContact CB-CD1 3.87Å; F627-L648 HydrophobicContact CD2-CB 4.19Å; F627-L648 HydrophobicContact CD2-CD1 3.87Å; F627-L648 HydrophobicContact CG-CD1 4.31Å; F627-L671 HydrophobicContact CE1-CB 4.13Å; F627-L671 HydrophobicContact CE1-CD2 4.17Å; F627-H674 AromaticContact CD1-NE2 3.78Å; F627-M683 HydrophobicContact CB-CE 4.29Å; F627-L685 HydrophobicContact CD1-CD1 3.27Å; F627-L685 HydrophobicContact CE1-CD1 3.36Å; F627-L685 HydrophobicContact CG-CD1 4.11Å; F627-L685 HydrophobicContact CZ-CD1 4.24Å; F627-W708 HydrophobicContact CD1-CH2 4.29Å; F627-W708 AromaticContact CD2-CH2 3.8Å; F627-W708 HydrophobicContact CD2-CH2 3.8Å; F627-W708 AromaticContact CD2-CZ2 3.49Å; F627-W708 HydrophobicContact CD2-CZ2 3.49Å; F627-W708 VanDerWaalsContact CD2-CZ2 3.49Å; F627-W708 HydrophobicContact CE1-CH2 4.24Å; F627-W708 AromaticContact CE2-CH2 3.7Å; F627-W708 HydrophobicContact CE2-CH2 3.7Å; F627-W708 AromaticContact CE2-CZ2 3.32Å; F627-W708 HydrophobicContact CE2-CZ2 3.32Å; F627-W708 HydrophobicContact CG-CH2 4.07Å; F627-W708 HydrophobicContact CG-CZ2 4.21Å; F627-W708 AromaticContact CZ-CH2 3.95Å; F627-W708 HydrophobicContact CZ-CH2 3.95Å; F627-W708 AromaticContact CZ-CZ2 3.98Å; F627-W708 HydrophobicContact CZ-CZ2 3.98Å
628	G	91.6	Very high	77.8	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	68.6	-147	170.8	0	0	0	0	0	114.4	K612 C645 L671	K612-G628 WeakPolarHBondContact CD-O 3.46Å; K612-G628 PolarHBondContact NZ-O 3.15Å; G628-C645 WeakPolarHBondContact CA-O 3.41Å; G628-C645 WeakPolarHBondContact O-CB 3.48Å; G628-L671 CarbonylContact C-O 3.58Å; G628-L671 WeakPolarHBondContact CA-O 3.39Å
629	G	90.2	Very high	74.9	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	85.3	167.9	-174.1	0	0	0	0	0	113.9	A613 S614 C645 L671	A613-G629 CarbonylContact O-C 3.41Å; A613-G629 WeakPolarHBondContact O-CA 3.36Å; S614-G629 WeakPolarHBondContact O-CA 3.06Å; G629-C645 VanDerWaalsContact O-CB 3.25Å; G629-C645 WeakPolarHBondContact O-CB 3.37Å; G629-C645 PolarHBondContact O-N 2.93Å; G629-L671 PolarHBondContact N-O 2.9Å
630	W	86.9	Confident	72.4	Confident	12 Å²	12	77.2 Å²	77.2	5%	0.045	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	153.7	171.9	61.2	56.1	0	0	0	111.1	F585 K612 A613 S614 N642 V643 F644 A672 N673 L689 F940 F944	F585-W630 AromaticContact CE1-CD1 3.42Å; F585-W630 VanDerWaalsContact CE1-CD1 3.42Å; F585-W630 AromaticContact CE1-NE1 3.57Å; F585-W630 AromaticContact CZ-CD1 3.73Å; F585-W630 AromaticContact CZ-NE1 3.86Å; K612-W630 WeakPolarHBondContact CA-O 3.47Å; K612-W630 VanDerWaalsContact CB-O 3.24Å; K612-W630 WeakPolarHBondContact CB-O 3.5Å; A613-W630 PolarHBondContact N-O 2.77Å; A613-W630 PolarHBondContact O-N 2.96Å; S614-W630 WeakPolarHBondContact OG-CZ2 3.2Å; W630-N642 HydrophobicContact CB-CB 4.41Å; W630-V643 CarbonylContact C-O 3.51Å; W630-V643 WeakPolarHBondContact CA-O 3.28Å; W630-F644 HydrophobicContact CE3-CE1 4.44Å; W630-A672 HydrophobicContact CB-CB 4.46Å; W630-A672 HydrophobicContact CD2-CB 4.35Å; W630-A672 HydrophobicContact CE3-CB 3.72Å; W630-A672 HydrophobicContact CZ3-CB 4.39Å; W630-N673 WeakPolarHBondContact CZ3-ND2 3.48Å; W630-L689 HydrophobicContact CZ3-CD2 4.29Å; W630-F940 HydrophobicContact CH2-CE2 4.06Å; W630-F940 AromaticContact CH2-CZ 3.78Å; W630-F940 HydrophobicContact CH2-CZ 3.78Å; W630-F940 HydrophobicContact CZ3-CZ 4.03Å; W630-F944 HydrophobicContact CH2-CE2 4.18Å; W630-F944 AromaticContact CH2-CZ 3.68Å; W630-F944 HydrophobicContact CH2-CZ 3.68Å; W630-F944 AromaticContact CZ2-CZ 3.73Å; W630-F944 HydrophobicContact CZ2-CZ 3.73Å; W630-F944 HydrophobicContact CZ3-CZ 4.39Å
631	C	86.4	Confident	70.5	Confident	2 Å²	2	76.4 Å²	76.4	1%	0.014	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	159.6	179.1	64.1	0	0	0	0	110.2	R610 P611 K612 V643 C645	R610-C631 PolarHBondContact NH2-SG 3.19Å; P611-C631 WeakPolarHBondContact O-CB 3.46Å; K612-C631 HydrophobicContact CB-CB 4.35Å; C631-V643 PolarHBondContact N-O 2.98Å; C631-V643 PolarHBondContact O-N 2.84Å; C631-V643 PolarHBondContact SG-O 2.9Å; C631-C645 VanDerWaalsContact SG-SG 3.68Å
632	P	77.3	Confident	69.2	Low	59 Å²	59	78.2 Å²	78.2	38%	0.383	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	144.8	176.7	28	-32.9	0	0	0	110.8	F585	F585-P632 HydrophobicContact CD2-CB 4.2Å; F585-P632 HydrophobicContact CD2-CG 3.87Å; F585-P632 HydrophobicContact CE2-CB 4.3Å; F585-P632 HydrophobicContact CE2-CG 4.42Å; F585-P632 HydrophobicContact CG-CG 4.36Å
633	S	66.4	Low	68.7	Low	52 Å²	52	77.7 Å²	77.7	36%	0.364	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-60.8	149.6	169.4	56.9	0	0	0	0	111.1	G641	S633-G641 VanDerWaalsContact CB-O 3.28Å; S633-G641 WeakPolarHBondContact CB-O 3.28Å; S633-G641 PolarHBondContact N-O 3.22Å; S633-G641 PolarHBondContact OG-O 2.88Å; S633-G641 VanDerWaalsContact OG-O 3.05Å
634	Q	55.8	Low	68.1	Low	170 Å²	170	75.2 Å²	75.2	79%	0.794	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-68.3	148.3	-177.1	-72.9	-173.1	-0.9	0	0	112.7	R636	Q634-R636 PolarHBondContact O-N 3.02Å; Q634-R636 VanDerWaalsContact O-N 3.15Å
635	W	37.4	Very low	67.6	Low	249 Å²	249	75.3 Å²	75.3	94%	0.943	39%	0.392	S	S	*	.	S	Bend	trans	-61.8	100.8	-174.5	-165.2	-100.4	0	0	0	113.3
636	R	35.3	Very low	67.1	Low	225 Å²	225	77.9 Å²	77.9	85%	0.849	41%	0.405	S	S	*	.	S	Bend	trans	178.5	115.6	146.8	-98.5	160.9	-159.1	-144.1	7.7	112.7	Q634 C638	Q634-R636 PolarHBondContact O-N 3.02Å; Q634-R636 VanDerWaalsContact O-N 3.15Å; R636-C638 VanDerWaalsContact C-N 3.31Å; R636-C638 PolarHBondContact O-N 2.82Å
637	A	31.8	Very low	66.6	Low	111 Å²	111	81 Å²	81	92%	0.917	42%	0.422	S	S	*	.	S	Bend	trans	53.6	-20.9	150.9	0	0	0	0	0	123.2
638	C	28.1	Very low	66.5	Low	111 Å²	111	81 Å²	81	75%	0.75	42%	0.422	S	S	*	.	S	Bend	trans	-135.4	118.5	-171.4	-72.1	0	0	0	0	114.4	R636	R636-C638 VanDerWaalsContact C-N 3.31Å; R636-C638 PolarHBondContact O-N 2.82Å
639	R	34.2	Very low	66.6	Low	229 Å²	229	81.7 Å²	81.7	86%	0.864	43%	0.425	S	S	*	.			trans	72.9	120.8	175.8	-51.8	-172.5	-171.9	-140.5	2.9	116
640	P	41	Very low	66.9	Low	140 Å²	140	82.2 Å²	82.2	91%	0.909	43%	0.429	S	S	*	.			trans	-70.3	132.7	162.2	2	13	0	0	0	109.8
641	G	56.6	Low	67.3	Low	42 Å²	42	81.7 Å²	81.7	43%	0.433	43%	0.427	S	S	.	.			trans	-174	146.5	175.4	0	0	0	0	0	113.4	S633	S633-G641 VanDerWaalsContact CB-O 3.28Å; S633-G641 WeakPolarHBondContact CB-O 3.28Å; S633-G641 PolarHBondContact N-O 3.22Å; S633-G641 PolarHBondContact OG-O 2.88Å; S633-G641 VanDerWaalsContact OG-O 3.05Å
642	N	65.5	Low	67.8	Low	76 Å²	76	82.9 Å²	82.9	41%	0.406	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	138.5	170.3	-68	-32.3	0	0	0	109.5	W630	W630-N642 HydrophobicContact CB-CB 4.41Å
643	V	80.8	Confident	68.6	Low	56 Å²	56	81.6 Å²	81.6	34%	0.339	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	119.1	178.4	179.2	0	0	0	0	109.1	W630 C631	W630-V643 CarbonylContact C-O 3.51Å; W630-V643 WeakPolarHBondContact CA-O 3.28Å; C631-V643 PolarHBondContact N-O 2.98Å; C631-V643 PolarHBondContact O-N 2.84Å; C631-V643 PolarHBondContact SG-O 2.9Å
644	F	82.8	Confident	69.8	Low	43 Å²	43	83.4 Å²	83.4	19%	0.189	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	143.5	171.3	-66.6	-95.6	0	0	0	110.1	W630 P670 A672 L689 P691	W630-F644 HydrophobicContact CE3-CE1 4.44Å; F644-P670 HydrophobicContact CB-CB 3.49Å; F644-P670 VanDerWaalsContact CB-CB 3.49Å; F644-A672 HydrophobicContact CD1-CB 3.85Å; F644-A672 HydrophobicContact CE1-CB 3.98Å; F644-L689 WeakPolarHBondContact CD1-O 3.44Å; F644-L689 HydrophobicContact CE1-CB 4.21Å; F644-L689 HydrophobicContact CE1-CD2 3.91Å; F644-L689 HydrophobicContact CE1-CG 3.78Å; F644-L689 VanDerWaalsContact CE1-O 3.32Å; F644-L689 WeakPolarHBondContact CE1-O 3.48Å; F644-L689 HydrophobicContact CZ-CD2 3.82Å; F644-L689 HydrophobicContact CZ-CG 3.87Å; F644-P691 HydrophobicContact CB-CG 4.38Å; F644-P691 HydrophobicContact CD2-CG 3.85Å; F644-P691 HydrophobicContact CE2-CG 4.44Å; F644-P691 HydrophobicContact CG-CG 4.23Å
645	C	84.8	Confident	71.6	Confident	2 Å²	2	79.5 Å²	79.5	1%	0.014	43%	0.425	C	S	.	.			trans	-104.1	146.5	176.1	-63.2	0	0	0	0	111	K612 G628 G629 C631 P670 L671	K612-C645 VanDerWaalsContact NZ-CB 3.34Å; K612-C645 PolarHBondContact NZ-SG 2.96Å; K612-C645 VanDerWaalsContact NZ-SG 3.42Å; G628-C645 WeakPolarHBondContact CA-O 3.41Å; G628-C645 WeakPolarHBondContact O-CB 3.48Å; G629-C645 VanDerWaalsContact O-CB 3.25Å; G629-C645 WeakPolarHBondContact O-CB 3.37Å; G629-C645 PolarHBondContact O-N 2.93Å; C631-C645 VanDerWaalsContact SG-SG 3.68Å; C645-P670 WeakPolarHBondContact O-CA 3.12Å; C645-L671 PolarHBondContact O-N 2.85Å
646	D	85.3	Confident	74.3	Confident	56 Å²	56	67.8 Å²	67.8	30%	0.299	38%	0.382	S	S	.	.			trans	-119.1	-22.5	176.8	45.5	1.3	0	0	0	112	F627 L648 S668 P670	F627-D646 WeakPolarHBondContact CE2-O 3.29Å; D646-L648 PolarHBondContact O-N 2.94Å; D646-S668 WeakPolarHBondContact CB-O 3.36Å; D646-P670 HydrophobicContact CB-CB 4.43Å; D646-P670 HydrophobicContact CB-CG 4.04Å
647	N	85.5	Confident	77.1	Confident	67 Å²	67	58.4 Å²	58.4	36%	0.358	35%	0.352	S	S	.	.			trans	-65.9	124	-176.9	-65.7	-12.9	0	0	0	114.2	H649	N647-H649 VanDerWaalsContact CB-CE1 3.42Å; N647-H649 WeakPolarHBondContact CB-CE1 3.22Å; N647-H649 PolarHBondContact O-ND1 2.98Å
648	L	92.5	Very high	80.2	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	128.9	169.2	-172.3	68.3	0	0	0	110.8	I625 F627 D646 I661 M683 F701 W708	I625-L648 HydrophobicContact CG2-CD1 3.47Å; I625-L648 VanDerWaalsContact CG2-CD1 3.47Å; I625-L648 HydrophobicContact CG2-CG 4.27Å; F627-L648 HydrophobicContact CB-CD1 3.87Å; F627-L648 HydrophobicContact CD2-CB 4.19Å; F627-L648 HydrophobicContact CD2-CD1 3.87Å; F627-L648 HydrophobicContact CG-CD1 4.31Å; D646-L648 PolarHBondContact O-N 2.94Å; L648-I661 HydrophobicContact CB-CB 4.31Å; L648-I661 HydrophobicContact CD2-CB 3.95Å; L648-I661 HydrophobicContact CD2-CD1 4.11Å; L648-I661 HydrophobicContact CD2-CG2 3.98Å; L648-I661 HydrophobicContact CG-CB 4.2Å; L648-I661 HydrophobicContact CG-CD1 4.47Å; L648-I661 PolarHBondContact O-N 3.45Å; L648-M683 HydrophobicContact CD1-CE 3.68Å; L648-F701 HydrophobicContact CD2-CD1 3.85Å; L648-F701 HydrophobicContact CD2-CD2 3.88Å; L648-F701 HydrophobicContact CD2-CE1 3.44Å; L648-F701 VanDerWaalsContact CD2-CE1 3.44Å; L648-F701 HydrophobicContact CD2-CE2 3.47Å; L648-F701 VanDerWaalsContact CD2-CE2 3.47Å; L648-F701 HydrophobicContact CD2-CG 4.05Å; L648-F701 HydrophobicContact CD2-CZ 3.23Å; L648-W708 HydrophobicContact CD1-CZ2 4.3Å; L648-W708 HydrophobicContact CD2-CZ2 4.41Å
649	H	94.5	Very high	83.4	Confident	13 Å²	13	51.5 Å²	51.5	6%	0.06	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	144	176.1	-62.9	70.3	0	0	0	110.8	D607 P609 L626 N647 W658	D607-H649 PolarHBondContact O-CD2 2.82Å; P609-H649 HydrophobicContact CG-CB 4Å; L626-H649 HydrophobicContact CB-CB 4.4Å; L626-H649 HydrophobicContact CD2-CB 4.48Å; L626-H649 PolarHBondContact N-O 3.29Å; L626-H649 PolarHBondContact O-N 2.83Å; N647-H649 VanDerWaalsContact CB-CE1 3.42Å; N647-H649 WeakPolarHBondContact CB-CE1 3.22Å; N647-H649 PolarHBondContact O-ND1 2.98Å; H649-W658 HydrophobicContact CB-CE3 3.85Å; H649-W658 HydrophobicContact CB-CZ3 3.98Å
650	C	95.2	Very high	86.2	Confident	12 Å²	12	42.6 Å²	42.6	8%	0.081	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	125.8	176.9	170.7	0	0	0	0	109.7	L624 W658 T659 I661	L624-C650 CarbonylContact O-C 3.52Å; L624-C650 WeakPolarHBondContact O-CA 3.18Å; C650-W658 CarbonylContact O-C 3.39Å; C650-W658 WeakPolarHBondContact O-CA 3.4Å; C650-T659 PolarHBondContact N-O 3.15Å; C650-T659 PolarHBondContact O-N 2.84Å; C650-I661 HydrophobicContact CB-CD1 3.76Å; C650-I661 HydrophobicContact CB-CG1 4.22Å
651	Y	96.7	Very high	88.5	Confident	1 Å²	1	37.1 Å²	37.1	0%	0.004	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	124.5	171.3	177.7	-95.1	0	0	0	110.2	I589 L602 P603 K623 L624 I653 G656 A657 W658	I589-Y651 HydrophobicContact CD1-CD1 3.69Å; I589-Y651 HydrophobicContact CD1-CD2 4.21Å; I589-Y651 HydrophobicContact CD1-CE1 3.88Å; I589-Y651 HydrophobicContact CD1-CE2 4.38Å; I589-Y651 HydrophobicContact CD1-CG 3.85Å; I589-Y651 HydrophobicContact CG2-CE2 4.15Å; L602-Y651 VanDerWaalsContact CB-OH 3.26Å; L602-Y651 WeakPolarHBondContact CB-OH 3.4Å; L602-Y651 HydrophobicContact CD1-CE1 3.82Å; P603-Y651 WeakPolarHBondContact O-CE2 3.47Å; P603-Y651 PolarHBondContact O-OH 2.89Å; K623-Y651 CarbonylContact C-O 3.52Å; K623-Y651 WeakPolarHBondContact CA-O 3.3Å; L624-Y651 HydrophobicContact CD1-CD1 3.83Å; L624-Y651 HydrophobicContact CD1-CE1 4.46Å; L624-Y651 HydrophobicContact CG-CD1 4.31Å; L624-Y651 PolarHBondContact N-O 3Å; L624-Y651 PolarHBondContact O-N 2.75Å; Y651-I653 HydrophobicContact CD1-CG1 4.33Å; Y651-I653 HydrophobicContact CE1-CG1 4.37Å; Y651-G656 WeakPolarHBondContact OH-CA 3.28Å; Y651-A657 WeakPolarHBondContact CA-O 3.36Å; Y651-W658 AromaticContact CD2-CD1 3.79Å; Y651-W658 AromaticContact CD2-CD2 3.84Å; Y651-W658 HydrophobicContact CD2-CD2 3.84Å; Y651-W658 AromaticContact CD2-CE2 3.55Å; Y651-W658 AromaticContact CD2-CG 3.99Å; Y651-W658 HydrophobicContact CD2-CG 3.99Å; Y651-W658 HydrophobicContact CD2-CZ2 4.04Å; Y651-W658 AromaticContact CD2-NE1 3.51Å; Y651-W658 HydrophobicContact CG-CD2 4.31Å; Y651-W658 HydrophobicContact CG-CZ2 4.24Å
652	C	95.7	Very high	89.7	Confident	26 Å²	26	39.6 Å²	39.6	18%	0.176	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	119.9	175	173.1	0	0	0	0	110.1	D622 S654 T655 G656 A657	D622-C652 PolarHBondContact OD2-SG 3Å; C652-S654 PolarHBondContact SG-OG 3.31Å; C652-T655 VanDerWaalsContact CB-OG1 3.27Å; C652-T655 WeakPolarHBondContact CB-OG1 3.26Å; C652-T655 PolarHBondContact SG-OG1 3.14Å; C652-G656 WeakPolarHBondContact O-CA 3.12Å; C652-G656 PolarHBondContact O-N 2.88Å; C652-A657 PolarHBondContact N-O 2.91Å
653	I	94.3	Very high	90.1	Very high	32 Å²	32	38.1 Å²	38.1	16%	0.164	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-39.5	-171.6	-60.4	166.4	0	0	0	111.2	F574 D622 L624 Y651	F574-I653 HydrophobicContact CE1-CD1 4.42Å; F574-I653 HydrophobicContact CE1-CG1 4.22Å; F574-I653 HydrophobicContact CE1-CG2 4.19Å; F574-I653 HydrophobicContact CE2-CD1 4.24Å; F574-I653 HydrophobicContact CZ-CD1 3.89Å; F574-I653 HydrophobicContact CZ-CG1 4.13Å; F574-I653 HydrophobicContact CZ-CG2 3.89Å; D622-I653 WeakPolarHBondContact O-CB 3.42Å; D622-I653 WeakPolarHBondContact O-CG1 3.01Å; D622-I653 PolarHBondContact O-N 3.17Å; L624-I653 HydrophobicContact CD1-CD1 4.47Å; L624-I653 HydrophobicContact CD1-CG1 4.16Å; L624-I653 HydrophobicContact CD2-CD1 3.85Å; L624-I653 HydrophobicContact CD2-CG1 4.34Å; L624-I653 HydrophobicContact CG-CD1 3.98Å; L624-I653 HydrophobicContact CG-CG1 3.91Å; Y651-I653 HydrophobicContact CD1-CG1 4.33Å; Y651-I653 HydrophobicContact CE1-CG1 4.37Å
654	S	92.4	Very high	90	Very high	90 Å²	90	43.6 Å²	43.6	63%	0.629	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-41.9	179.2	56.4	0	0	0	0	113.7	D622 C652	D622-S654 PolarHBondContact OD1-N 2.87Å; D622-S654 VanDerWaalsContact OD2-CB 3.26Å; D622-S654 WeakPolarHBondContact OD2-CB 3.23Å; D622-S654 PolarHBondContact OD2-N 2.97Å; D622-S654 PolarHBondContact OD2-OG 3.43Å; C652-S654 PolarHBondContact SG-OG 3.31Å
655	T	93.6	Very high	89.7	Confident	89 Å²	89	43.9 Å²	43.9	55%	0.546	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-24.1	-176	61.9	0	0	0	0	114.1	C652 A657	C652-T655 VanDerWaalsContact CB-OG1 3.27Å; C652-T655 WeakPolarHBondContact CB-OG1 3.26Å; C652-T655 PolarHBondContact SG-OG1 3.14Å; T655-A657 VanDerWaalsContact C-N 3.31Å; T655-A657 PolarHBondContact OG1-N 3.27Å
656	G	93.6	Very high	89	Confident	3 Å²	3	48.1 Å²	48.1	3%	0.031	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	20.3	-174.6	0	0	0	0	0	114.9	K605 Y651 C652	K605-G656 PolarHBondContact N-O 3.07Å; Y651-G656 WeakPolarHBondContact OH-CA 3.28Å; C652-G656 WeakPolarHBondContact O-CA 3.12Å; C652-G656 PolarHBondContact O-N 2.88Å
657	A	95.2	Very high	88.2	Confident	27 Å²	27	45.9 Å²	45.9	22%	0.223	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	140.6	179.8	0	0	0	0	0	112.2	Y651 C652 T655	Y651-A657 WeakPolarHBondContact CA-O 3.36Å; C652-A657 PolarHBondContact N-O 2.91Å; T655-A657 VanDerWaalsContact C-N 3.31Å; T655-A657 PolarHBondContact OG1-N 3.27Å
658	W	96.3	Very high	87.7	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.015	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	145.3	164.4	-69.8	95.9	0	0	0	110.6	F576 I589 K605 D607 P609 L626 H649 C650 Y651	F576-W658 AromaticContact CD2-CH2 3.66Å; F576-W658 HydrophobicContact CD2-CH2 3.66Å; F576-W658 AromaticContact CD2-CZ2 3.46Å; F576-W658 HydrophobicContact CD2-CZ2 3.46Å; F576-W658 VanDerWaalsContact CD2-CZ2 3.46Å; F576-W658 AromaticContact CE2-CH2 3.85Å; F576-W658 HydrophobicContact CE2-CH2 3.85Å; F576-W658 AromaticContact CE2-CZ2 3.51Å; F576-W658 HydrophobicContact CE2-CZ2 3.51Å; F576-W658 HydrophobicContact CG-CH2 4.27Å; F576-W658 HydrophobicContact CG-CZ2 4.46Å; I589-W658 HydrophobicContact CB-CZ2 4.21Å; I589-W658 HydrophobicContact CD1-CH2 4.42Å; I589-W658 HydrophobicContact CD1-CZ2 3.96Å; I589-W658 HydrophobicContact CG2-CZ2 4.34Å; K605-W658 PolarHBondContact O-N 3.41Å; D607-W658 PolarHBondContact N-O 2.83Å; D607-W658 WeakPolarHBondContact O-CB 3.14Å; P609-W658 HydrophobicContact CG-CD2 3.72Å; P609-W658 HydrophobicContact CG-CE3 3.54Å; P609-W658 HydrophobicContact CG-CG 4.43Å; P609-W658 HydrophobicContact CG-CH2 3.98Å; P609-W658 HydrophobicContact CG-CZ2 4.14Å; P609-W658 HydrophobicContact CG-CZ3 3.67Å; L626-W658 HydrophobicContact CB-CH2 4.33Å; L626-W658 HydrophobicContact CB-CZ3 3.99Å; L626-W658 HydrophobicContact CD2-CH2 4.02Å; L626-W658 HydrophobicContact CD2-CZ3 4Å; H649-W658 HydrophobicContact CB-CE3 3.85Å; H649-W658 HydrophobicContact CB-CZ3 3.98Å; C650-W658 CarbonylContact O-C 3.39Å; C650-W658 WeakPolarHBondContact O-CA 3.4Å; Y651-W658 AromaticContact CD2-CD1 3.79Å; Y651-W658 AromaticContact CD2-CD2 3.84Å; Y651-W658 HydrophobicContact CD2-CD2 3.84Å; Y651-W658 AromaticContact CD2-CE2 3.55Å; Y651-W658 AromaticContact CD2-CG 3.99Å; Y651-W658 HydrophobicContact CD2-CG 3.99Å; Y651-W658 HydrophobicContact CD2-CZ2 4.04Å; Y651-W658 AromaticContact CD2-NE1 3.51Å; Y651-W658 HydrophobicContact CG-CD2 4.31Å; Y651-W658 HydrophobicContact CG-CZ2 4.24Å
659	T	94.2	Very high	87.2	Confident	73 Å²	73	47.8 Å²	47.8	45%	0.448	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	128.7	173	-51	0	0	0	0	108.5	D607 C650	D607-T659 WeakPolarHBondContact OD2-CA 3.17Å; C650-T659 PolarHBondContact N-O 3.15Å; C650-T659 PolarHBondContact O-N 2.84Å
660	S	93	Very high	86.8	Confident	43 Å²	43	49.1 Å²	49.1	30%	0.301	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	131.3	171.1	-168.9	0	0	0	0	108.6	D607	D607-S660 PolarHBondContact OD2-N 2.88Å
661	I	89.7	Confident	86.6	Confident	25 Å²	25	48.5 Å²	48.5	13%	0.128	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	114.3	174.4	-61.4	178.7	0	0	0	107.1	L648 C650 S663 F701 K706	L648-I661 HydrophobicContact CB-CB 4.31Å; L648-I661 HydrophobicContact CD2-CB 3.95Å; L648-I661 HydrophobicContact CD2-CD1 4.11Å; L648-I661 HydrophobicContact CD2-CG2 3.98Å; L648-I661 HydrophobicContact CG-CB 4.2Å; L648-I661 HydrophobicContact CG-CD1 4.47Å; L648-I661 PolarHBondContact O-N 3.45Å; C650-I661 HydrophobicContact CB-CD1 3.76Å; C650-I661 HydrophobicContact CB-CG1 4.22Å; I661-S663 PolarHBondContact O-N 2.91Å; I661-F701 HydrophobicContact CG2-CZ 4.08Å; I661-K706 HydrophobicContact CG2-CB 4.43Å
662	P	82.4	Confident	86.3	Confident	94 Å²	94	48.5 Å²	48.5	61%	0.61	30%	0.296	S	S	*	.			trans	-57	126.6	175.9	-25.4	34.8	0	0	0	110.9	R664	P662-R664 PolarHBondContact O-N 3.37Å
663	S	74.3	Confident	85.9	Confident	44 Å²	44	47.3 Å²	47.3	31%	0.308	29%	0.288	S	S	.	.			trans	-67.2	104.8	176.6	-68.3	0	0	0	0	110.6	I661 S668	I661-S663 PolarHBondContact O-N 2.91Å; S663-S668 WeakPolarHBondContact CB-OG 3.19Å; S663-S668 WeakPolarHBondContact OG-CB 3.38Å
664	R	78.2	Confident	85.8	Confident	172 Å²	172	46.2 Å²	46.2	65%	0.649	28%	0.282	S	S	*	.			trans	-106.3	145.8	172.2	-65.3	-176.3	175.9	-156.5	-2.7	110.1	P662 V707 W708	P662-R664 PolarHBondContact O-N 3.37Å; R664-V707 HydrophobicContact CB-CG2 4.4Å; R664-W708 WeakPolarHBondContact O-CB 3.47Å; R664-W708 PolarHBondContact O-N 2.85Å
665	G	75.9	Confident	85.8	Confident	49 Å²	49	42.5 Å²	42.5	51%	0.505	26%	0.256	S	S	.	.	B	Isolated β-bridge	trans	85.1	-176	179.2	0	0	0	0	0	114	W708	G665-W708 CarbonylContact C-O 3.58Å; G665-W708 WeakPolarHBondContact CA-O 3.03Å
666	T	71	Confident	85.8	Confident	91 Å²	91	39.4 Å²	39.4	56%	0.558	24%	0.24	S	C	*	.	S	Bend	trans	-92	121.3	-176.2	47.9	0	0	0	0	110.5	W708 F709	T666-W708 PolarHBondContact N-O 2.98Å; T666-W708 VanDerWaalsContact N-O 3.14Å; T666-W708 CarbonylContact O-C 3.52Å; T666-W708 WeakPolarHBondContact O-CB 3.41Å; T666-F709 CarbonylContact O-C 3.42Å; T666-F709 WeakPolarHBondContact O-CA 3.4Å; T666-F709 PolarHBondContact O-N 2.81Å
667	G	68.6	Low	85.8	Confident	8 Å²	8	40 Å²	40	8%	0.082	24%	0.244	C	C	.	.			trans	147.1	-16.6	174.2	0	0	0	0	0	116.3	E669 R699	G667-E669 PolarHBondContact O-N 2.84Å; G667-R699 WeakPolarHBondContact O-CD 3.48Å; G667-R699 PolarHBondContact O-NE 2.95Å
668	S	73.9	Confident	85.8	Confident	34 Å²	34	41 Å²	41	24%	0.238	25%	0.245	C	C	.	.			trans	-76.4	44.3	-175.9	67.7	0	0	0	0	115	D646 S663	D646-S668 WeakPolarHBondContact CB-O 3.36Å; S663-S668 WeakPolarHBondContact CB-OG 3.19Å; S663-S668 WeakPolarHBondContact OG-CB 3.38Å
669	E	82.2	Confident	85.7	Confident	74 Å²	74	41.3 Å²	41.3	35%	0.346	25%	0.247	S	C	.	.			trans	-71.5	144.4	174.3	-66.2	173.9	159.9	0	0	110.4	G667 L671 K697 R699	G667-E669 PolarHBondContact O-N 2.84Å; E669-L671 PolarHBondContact O-N 2.81Å; E669-K697 IonicContact OE1-NZ 2.72Å; E669-K697 PolarHBondContact OE1-NZ 3.11Å; E669-K697 IonicContact OE2-NZ 3.4Å; E669-K697 PolarHBondContact OE2-NZ 3.04Å; E669-R699 IonicContact OE2-CZ 3.52Å; E669-R699 IonicContact OE2-NE 3.53Å; E669-R699 IonicContact OE2-NH2 3.4Å; E669-R699 PolarHBondContact OE2-NH2 2.8Å
670	P	86.8	Confident	85.6	Confident	40 Å²	40	40.3 Å²	40.3	26%	0.26	25%	0.251	S	S	.	.			trans	-58.7	125.3	176	-24.5	33	0	0	0	112.5	F644 C645 D646 P691	F644-P670 HydrophobicContact CB-CB 3.49Å; F644-P670 VanDerWaalsContact CB-CB 3.49Å; C645-P670 WeakPolarHBondContact O-CA 3.12Å; D646-P670 HydrophobicContact CB-CB 4.43Å; D646-P670 HydrophobicContact CB-CG 4.04Å; P670-P691 HydrophobicContact CB-CG 4.47Å
671	L	90.8	Very high	85.7	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	25%	0.245	C	C	.	.			trans	-145.3	138.3	-165.8	-164.8	67.2	0	0	0	112.5	F627 G628 G629 C645 E669 H674 L685 G687 T690 T695	F627-L671 HydrophobicContact CE1-CB 4.13Å; F627-L671 HydrophobicContact CE1-CD2 4.17Å; G628-L671 CarbonylContact C-O 3.58Å; G628-L671 WeakPolarHBondContact CA-O 3.39Å; G629-L671 PolarHBondContact N-O 2.9Å; C645-L671 PolarHBondContact O-N 2.85Å; E669-L671 PolarHBondContact O-N 2.81Å; L671-H674 HydrophobicContact CD2-CB 3.57Å; L671-H674 HydrophobicContact CG-CB 3.85Å; L671-L685 HydrophobicContact CD2-CD1 4.36Å; L671-G687 WeakPolarHBondContact CD1-O 3.32Å; L671-T690 HydrophobicContact CD1-CG2 3.63Å; L671-T695 HydrophobicContact CD1-CG2 4.03Å
672	A	89.9	Confident	85.9	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-141.8	162.6	172.4	0	0	0	0	0	111.1	S614 W630 F644 H674 L689	S614-A672 WeakPolarHBondContact O-CA 3.19Å; W630-A672 HydrophobicContact CB-CB 4.46Å; W630-A672 HydrophobicContact CD2-CB 4.35Å; W630-A672 HydrophobicContact CE3-CB 3.72Å; W630-A672 HydrophobicContact CZ3-CB 4.39Å; F644-A672 HydrophobicContact CD1-CB 3.85Å; F644-A672 HydrophobicContact CE1-CB 3.98Å; A672-H674 PolarHBondContact O-N 2.72Å; A672-L689 PolarHBondContact N-O 2.87Å; A672-L689 PolarHBondContact O-N 2.83Å
673	N	88.3	Confident	86.5	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	22%	0.218	C	C	.	.	S	Bend	trans	56	19.5	-178.3	-71.4	-25.1	0	0	0	114.4	S614 W630 C722 L723 R782 F940	S614-N673 VanDerWaalsContact CB-OD1 3.24Å; S614-N673 WeakPolarHBondContact CB-OD1 3.48Å; S614-N673 PolarHBondContact O-N 3.09Å; S614-N673 PolarHBondContact OG-OD1 2.76Å; S614-N673 VanDerWaalsContact OG-OD1 3.12Å; W630-N673 WeakPolarHBondContact CZ3-ND2 3.48Å; N673-C722 HydrophobicContact CB-CB 3.96Å; N673-L723 HydrophobicContact CB-CD2 3.89Å; N673-L723 HydrophobicContact CB-CG 4.26Å; N673-L723 PolarHBondContact O-N 2.85Å; N673-L723 WeakPolarHBondContact OD1-CD2 3.49Å; N673-R782 PolarHBondContact OD1-NE 3.35Å; N673-R782 PolarHBondContact OD1-NH2 3.2Å; N673-F940 WeakPolarHBondContact ND2-CE2 3.36Å; N673-F940 VanDerWaalsContact ND2-CZ 3.26Å; N673-F940 WeakPolarHBondContact ND2-CZ 3.39Å
674	H	92	Very high	87.5	Confident	9 Å²	9	34.2 Å²	34.2	4%	0.042	20%	0.203	C	C	.	.			trans	-77.7	161.8	167.7	60.6	-73.3	0	0	0	110.6	S616 F627 L671 A672	S616-H674 WeakPolarHBondContact CB-NE2 3.3Å; S616-H674 PolarHBondContact OG-NE2 3.14Å; F627-H674 AromaticContact CD1-NE2 3.78Å; L671-H674 HydrophobicContact CD2-CB 3.57Å; L671-H674 HydrophobicContact CG-CB 3.85Å; A672-H674 PolarHBondContact O-N 2.72Å
675	S	92.1	Very high	88.3	Confident	12 Å²	12	26 Å²	26	8%	0.084	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	162	164.8	67.7	0	0	0	0	110.6	L685 F686 H724 Q726	S675-L685 WeakPolarHBondContact O-CA 3.43Å; S675-F686 PolarHBondContact N-O 2.78Å; S675-F686 PolarHBondContact O-N 3.38Å; S675-H724 PolarHBondContact OG-CD2 3.12Å; S675-H724 VanDerWaalsContact OG-CD2 3.27Å; S675-H724 PolarHBondContact OG-NE2 2.9Å; S675-Q726 VanDerWaalsContact CB-OE1 3.26Å; S675-Q726 VanDerWaalsContact OG-CB 3.28Å; S675-Q726 WeakPolarHBondContact OG-CB 3.48Å; S675-Q726 PolarHBondContact OG-OE1 2.96Å
676	A	93.8	Very high	89.2	Confident	25 Å²	25	23.8 Å²	23.8	21%	0.207	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	142.3	176.9	0	0	0	0	0	109.7	S616 I618 I684 L685 Q726	S616-A676 VanDerWaalsContact CB-CB 3.41Å; I618-A676 HydrophobicContact CD1-CB 3.86Å; I618-A676 HydrophobicContact CG1-CB 4.29Å; A676-I684 WeakPolarHBondContact CA-O 3.45Å; A676-L685 HydrophobicContact CB-CD2 3.31Å; A676-Q726 VanDerWaalsContact N-OE1 3.13Å
677	S	94.2	Very high	90.2	Very high	15 Å²	15	19.4 Å²	19.4	11%	0.105	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	161.9	171.2	-60.9	0	0	0	0	111.2	M683 I684 Q726	S677-M683 CarbonylContact O-C 3.57Å; S677-M683 WeakPolarHBondContact O-CA 3.19Å; S677-I684 PolarHBondContact N-O 2.91Å; S677-I684 PolarHBondContact O-N 3.12Å; S677-Q726 VanDerWaalsContact CB-NE2 3.32Å; S677-Q726 VanDerWaalsContact OG-CD 3.29Å; S677-Q726 WeakPolarHBondContact OG-CG 3.44Å; S677-Q726 PolarHBondContact OG-NE2 3.49Å
678	L	94.5	Very high	91.2	Very high	48 Å²	48	19 Å²	19	25%	0.251	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	116.9	-177.4	178.8	68.4	0	0	0	109.2	I618 A619 Y620 G680 W682 I703 I728	I618-L678 HydrophobicContact CD1-CB 4.44Å; I618-L678 HydrophobicContact CG2-CB 3.86Å; I618-L678 HydrophobicContact CG2-CD2 4.17Å; I618-L678 HydrophobicContact CG2-CG 4.42Å; A619-L678 WeakPolarHBondContact O-CD2 3.33Å; Y620-L678 HydrophobicContact CD2-CD1 4.08Å; Y620-L678 HydrophobicContact CD2-CD2 4.02Å; L678-G680 WeakPolarHBondContact CD1-O 3.47Å; L678-W682 WeakPolarHBondContact CA-O 3.45Å; L678-I703 HydrophobicContact CD1-CD1 3.48Å; L678-I703 VanDerWaalsContact CD1-CD1 3.48Å; L678-I728 WeakPolarHBondContact O-CD1 3.44Å
679	I	94.3	Very high	91.9	Very high	11 Å²	11	18.3 Å²	18.3	6%	0.056	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	119.2	170.2	-69	-175.6	0	0	0	106.6	D681 W682 I684 I728 D731 L734 V755	I679-D681 PolarHBondContact O-N 2.91Å; I679-D681 VanDerWaalsContact O-N 3.08Å; I679-W682 PolarHBondContact N-O 2.96Å; I679-W682 WeakPolarHBondContact O-CB 3.26Å; I679-W682 PolarHBondContact O-N 3.04Å; I679-I684 HydrophobicContact CB-CD1 4.07Å; I679-I684 HydrophobicContact CD1-CD1 4.01Å; I679-I684 HydrophobicContact CG1-CD1 4.26Å; I679-I728 HydrophobicContact CD1-CG1 4.48Å; I679-I728 HydrophobicContact CD1-CG2 4.34Å; I679-I728 HydrophobicContact CG1-CD1 4.29Å; I679-I728 HydrophobicContact CG1-CG1 4.19Å; I679-I728 HydrophobicContact CG1-CG2 4.28Å; I679-D731 WeakPolarHBondContact CG2-O 3.45Å; I679-L734 HydrophobicContact CD1-CB 4.44Å; I679-L734 HydrophobicContact CD1-CD1 4.19Å; I679-V755 HydrophobicContact CD1-CG2 4.17Å
680	G	92.2	Very high	92.2	Very high	51 Å²	51	15.2 Å²	15.2	53%	0.526	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	-114	-168.8	0	0	0	0	0	112.6	L678	L678-G680 WeakPolarHBondContact CD1-O 3.47Å
681	D	94.2	Very high	92.1	Very high	33 Å²	33	17.9 Å²	17.9	18%	0.176	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	8.5	177.9	-60	-92.2	0	0	0	113.7	Y620 I679 I703 R704	Y620-D681 HydrophobicContact CE2-CB 4.41Å; Y620-D681 WeakPolarHBondContact CE2-OD1 3.22Å; Y620-D681 PolarHBondContact OH-OD1 3.45Å; I679-D681 PolarHBondContact O-N 2.91Å; I679-D681 VanDerWaalsContact O-N 3.08Å; D681-I703 VanDerWaalsContact O-CB 3.3Å; D681-I703 WeakPolarHBondContact O-CB 3.26Å; D681-I703 WeakPolarHBondContact O-CD1 3.27Å; D681-I703 VanDerWaalsContact O-CG1 3.25Å; D681-I703 WeakPolarHBondContact O-CG1 3.32Å; D681-I703 PolarHBondContact O-N 3.31Å; D681-R704 HydrophobicContact CB-CG 4.02Å; D681-R704 IonicContact OD1-CZ 3.7Å; D681-R704 IonicContact OD1-NE 2.82Å; D681-R704 PolarHBondContact OD1-NE 3.32Å; D681-R704 IonicContact OD1-NH2 3.66Å; D681-R704 PolarHBondContact OD1-NH2 3.09Å; D681-R704 IonicContact OD2-CZ 2.69Å; D681-R704 IonicContact OD2-NE 3.45Å; D681-R704 PolarHBondContact OD2-NE 3.43Å; D681-R704 IonicContact OD2-NH2 3.49Å; D681-R704 PolarHBondContact OD2-NH2 3.49Å
682	W	95.2	Very high	91.8	Very high	45 Å²	45	23.5 Å²	23.5	17%	0.17	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	116.7	-175.7	-71.3	-6.5	0	0	0	110.5	L678 I679 I684 V700 D702 F709 V755 G756 E758 W762	L678-W682 WeakPolarHBondContact CA-O 3.45Å; I679-W682 PolarHBondContact N-O 2.96Å; I679-W682 WeakPolarHBondContact O-CB 3.26Å; I679-W682 PolarHBondContact O-N 3.04Å; W682-I684 HydrophobicContact CB-CG1 4.32Å; W682-I684 PolarHBondContact O-N 2.84Å; W682-V700 HydrophobicContact CB-CG1 3.64Å; W682-V700 HydrophobicContact CD2-CG1 4.08Å; W682-V700 HydrophobicContact CE3-CG1 4.45Å; W682-V700 HydrophobicContact CG-CG1 3.73Å; W682-D702 PolarHBondContact NE1-OD2 3.5Å; W682-D702 VanDerWaalsContact NE1-OD2 3.08Å; W682-F709 HydrophobicContact CD2-CZ 4.13Å; W682-F709 AromaticContact CE2-CZ 3.93Å; W682-F709 HydrophobicContact CE3-CZ 4.39Å; W682-F709 HydrophobicContact CH2-CZ 4.31Å; W682-F709 HydrophobicContact CZ2-CZ 4.02Å; W682-F709 HydrophobicContact CZ3-CZ 4.48Å; W682-V755 HydrophobicContact CE3-CG1 4.48Å; W682-V755 HydrophobicContact CZ3-CG1 4.41Å; W682-G756 WeakPolarHBondContact CZ3-O 3.48Å; W682-E758 HydrophobicContact CH2-CB 4.13Å; W682-E758 HydrophobicContact CZ2-CB 4.14Å; W682-W762 HydrophobicContact CE3-CH2 4.31Å; W682-W762 HydrophobicContact CE3-CZ2 4.05Å; W682-W762 HydrophobicContact CZ3-CH2 4.49Å; W682-W762 AromaticContact CZ3-CZ2 3.79Å; W682-W762 HydrophobicContact CZ3-CZ2 3.79Å
683	M	95	Very high	91.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	106.6	164.7	168.8	172.6	71.9	0	0	108.3	I618 I625 F627 L648 S677 L685 V700 F701 I703 W708	I618-M683 HydrophobicContact CD1-CB 4.26Å; I618-M683 HydrophobicContact CD1-CG 3.67Å; I618-M683 HydrophobicContact CD1-SD 3.96Å; I625-M683 HydrophobicContact CG2-CE 4.07Å; I625-M683 HydrophobicContact CG2-SD 4.03Å; F627-M683 HydrophobicContact CB-CE 4.29Å; L648-M683 HydrophobicContact CD1-CE 3.68Å; S677-M683 CarbonylContact O-C 3.57Å; S677-M683 WeakPolarHBondContact O-CA 3.19Å; M683-L685 HydrophobicContact CE-CD2 4.49Å; M683-L685 HydrophobicContact CG-CD2 3.72Å; M683-L685 HydrophobicContact CG-CG 4.47Å; M683-L685 HydrophobicContact SD-CD2 4Å; M683-V700 WeakPolarHBondContact O-CA 3.45Å; M683-F701 HydrophobicContact CB-CB 4.29Å; M683-F701 HydrophobicContact CE-CB 3.73Å; M683-F701 HydrophobicContact CE-CD1 4.1Å; M683-F701 HydrophobicContact CE-CG 4.14Å; M683-F701 PolarHBondContact N-O 2.87Å; M683-F701 PolarHBondContact O-N 2.77Å; M683-I703 HydrophobicContact CB-CD1 4.38Å; M683-W708 HydrophobicContact CE-CH2 3.56Å; M683-W708 HydrophobicContact CE-CZ2 4.02Å; M683-W708 HydrophobicContact CE-CZ3 4.4Å
684	I	95.3	Very high	91.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	116.7	179.3	-54.9	174.9	0	0	0	108.5	A676 S677 I679 W682 I698 V700 Q726 L734 V755 W762	A676-I684 WeakPolarHBondContact CA-O 3.45Å; S677-I684 PolarHBondContact N-O 2.91Å; S677-I684 PolarHBondContact O-N 3.12Å; I679-I684 HydrophobicContact CB-CD1 4.07Å; I679-I684 HydrophobicContact CD1-CD1 4.01Å; I679-I684 HydrophobicContact CG1-CD1 4.26Å; W682-I684 HydrophobicContact CB-CG1 4.32Å; W682-I684 PolarHBondContact O-N 2.84Å; I684-I698 HydrophobicContact CG2-CG2 3.87Å; I684-V700 HydrophobicContact CG1-CG1 4.39Å; I684-V700 HydrophobicContact CG1-CG2 4.32Å; I684-Q726 PolarHBondContact O-NE2 2.63Å; I684-Q726 VanDerWaalsContact O-NE2 3.07Å; I684-L734 HydrophobicContact CG2-CD2 4.46Å; I684-V755 HydrophobicContact CD1-CG1 4.1Å; I684-V755 HydrophobicContact CD1-CG2 3.93Å; I684-W762 HydrophobicContact CD1-CH2 3.84Å; I684-W762 HydrophobicContact CD1-CZ3 3.95Å; I684-W762 HydrophobicContact CG1-CH2 4.2Å; I684-W762 HydrophobicContact CG1-CZ3 4.41Å; I684-W762 HydrophobicContact CG2-CZ3 4.18Å
685	L	94.9	Very high	91.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	138.2	172.2	-46.6	-174.2	0	0	0	110.2	F627 L671 S675 A676 M683 I698 R699 W708	F627-L685 HydrophobicContact CD1-CD1 3.27Å; F627-L685 HydrophobicContact CE1-CD1 3.36Å; F627-L685 HydrophobicContact CG-CD1 4.11Å; F627-L685 HydrophobicContact CZ-CD1 4.24Å; L671-L685 HydrophobicContact CD2-CD1 4.36Å; S675-L685 WeakPolarHBondContact O-CA 3.43Å; A676-L685 HydrophobicContact CB-CD2 3.31Å; M683-L685 HydrophobicContact CE-CD2 4.49Å; M683-L685 HydrophobicContact CG-CD2 3.72Å; M683-L685 HydrophobicContact CG-CG 4.47Å; M683-L685 HydrophobicContact SD-CD2 4Å; L685-I698 WeakPolarHBondContact O-CA 3.45Å; L685-R699 HydrophobicContact CB-CB 4.28Å; L685-R699 PolarHBondContact N-O 3.18Å; L685-R699 PolarHBondContact O-N 3.34Å; L685-W708 HydrophobicContact CD1-CH2 3.63Å; L685-W708 HydrophobicContact CD1-CZ3 3.74Å; L685-W708 HydrophobicContact CG-CH2 4.28Å; L685-W708 HydrophobicContact CG-CZ3 4.14Å
686	F	94.8	Very high	91.6	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.009	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	146.2	170.7	-175.5	-104.4	0	0	0	112	S675 N696 I698 P718 R721 H724 I736 W764	S675-F686 PolarHBondContact N-O 2.78Å; S675-F686 PolarHBondContact O-N 3.38Å; F686-N696 HydrophobicContact CE2-CB 4.3Å; F686-N696 VanDerWaalsContact CE2-O 3.23Å; F686-N696 WeakPolarHBondContact CE2-O 3.28Å; F686-N696 HydrophobicContact CZ-CB 4.09Å; F686-I698 HydrophobicContact CD2-CG1 4.08Å; F686-P718 HydrophobicContact CE1-CB 4.47Å; F686-P718 HydrophobicContact CE1-CG 4.44Å; F686-P718 HydrophobicContact CE2-CG 4.39Å; F686-P718 HydrophobicContact CZ-CB 3.93Å; F686-P718 HydrophobicContact CZ-CG 3.78Å; F686-R721 HydrophobicContact CE1-CG 3.93Å; F686-H724 AromaticContact CD1-CD2 3.95Å; F686-H724 AromaticContact CD1-CE1 3.92Å; F686-H724 AromaticContact CD1-NE2 3.51Å; F686-H724 PolarHBondContact O-CE1 3.11Å; F686-H724 PolarHBondContact O-NE2 2.78Å; F686-H724 VanDerWaalsContact O-NE2 3.12Å; F686-I736 HydrophobicContact CB-CD1 3.82Å; F686-I736 HydrophobicContact CD1-CB 4.41Å; F686-I736 HydrophobicContact CD1-CD1 3.65Å; F686-I736 HydrophobicContact CD1-CG1 3.71Å; F686-I736 HydrophobicContact CD1-CG2 3.84Å; F686-I736 HydrophobicContact CE1-CG1 4.13Å; F686-I736 HydrophobicContact CE1-CG2 3.82Å; F686-I736 HydrophobicContact CG-CD1 3.87Å; F686-I736 HydrophobicContact CG-CG1 4.09Å; F686-W764 AromaticContact CD2-CH2 3.71Å; F686-W764 HydrophobicContact CD2-CH2 3.71Å; F686-W764 AromaticContact CD2-CZ2 3.66Å; F686-W764 HydrophobicContact CD2-CZ2 3.66Å; F686-W764 AromaticContact CE2-CH2 3.61Å; F686-W764 HydrophobicContact CE2-CH2 3.61Å; F686-W764 AromaticContact CE2-CZ2 3.41Å; F686-W764 HydrophobicContact CE2-CZ2 3.41Å; F686-W764 VanDerWaalsContact CE2-CZ2 3.41Å; F686-W764 HydrophobicContact CG-CH2 4.23Å; F686-W764 HydrophobicContact CZ-CH2 4.08Å; F686-W764 HydrophobicContact CZ-CZ2 4.21Å
687	G	91.9	Very high	91.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	19%	0.185	C	C	.	.			trans	50.1	-142.9	174	0	0	0	0	0	114.7	L671 T695	L671-G687 WeakPolarHBondContact CD1-O 3.32Å; G687-T695 VanDerWaalsContact C-CG2 3.46Å; G687-T695 WeakPolarHBondContact CA-O 3.04Å; G687-T695 VanDerWaalsContact O-CG2 3.26Å; G687-T695 WeakPolarHBondContact O-CG2 3.18Å
688	G	89.8	Confident	91.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.182	C	C	.	.			trans	102.6	-178.5	-177.4	0	0	0	0	0	113.5	C694 T695 R721	G688-C694 CarbonylContact O-C 3.51Å; G688-C694 VanDerWaalsContact O-CA 3.29Å; G688-C694 WeakPolarHBondContact O-CA 3.33Å; G688-T695 PolarHBondContact O-N 2.92Å; G688-R721 PolarHBondContact N-O 2.83Å
689	L	87.9	Confident	91.6	Very high	18 Å²	18	27.1 Å²	27.1	9%	0.094	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	123.8	178.8	-176.7	68.3	0	0	0	109.4	W630 F644 A672 C722 M742	W630-L689 HydrophobicContact CZ3-CD2 4.29Å; F644-L689 WeakPolarHBondContact CD1-O 3.44Å; F644-L689 HydrophobicContact CE1-CB 4.21Å; F644-L689 HydrophobicContact CE1-CD2 3.91Å; F644-L689 HydrophobicContact CE1-CG 3.78Å; F644-L689 VanDerWaalsContact CE1-O 3.32Å; F644-L689 WeakPolarHBondContact CE1-O 3.48Å; F644-L689 HydrophobicContact CZ-CD2 3.82Å; F644-L689 HydrophobicContact CZ-CG 3.87Å; A672-L689 PolarHBondContact N-O 2.87Å; A672-L689 PolarHBondContact O-N 2.83Å; L689-C722 HydrophobicContact CB-CB 4.44Å; L689-M742 HydrophobicContact CD1-SD 4.33Å
690	T	88.7	Confident	91.6	Very high	9 Å²	9	26.6 Å²	26.6	6%	0.055	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	172	171.9	68.5	0	0	0	0	109.4	L671 S692 G693 T695	L671-T690 HydrophobicContact CD1-CG2 3.63Å; T690-S692 PolarHBondContact O-N 3.18Å; T690-S692 VanDerWaalsContact O-N 3.12Å; T690-S692 PolarHBondContact OG1-N 2.98Å; T690-S692 PolarHBondContact OG1-OG 2.71Å; T690-S692 VanDerWaalsContact OG1-OG 3.05Å; T690-G693 PolarHBondContact N-O 3.05Å; T690-G693 PolarHBondContact O-N 2.65Å; T690-G693 PolarHBondContact OG1-O 2.76Å; T690-T695 HydrophobicContact CG2-CG2 4.13Å
691	P	83.9	Confident	91.7	Very high	96 Å²	96	24.2 Å²	24.2	62%	0.623	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-22.9	171.8	-26.8	35.8	0	0	0	115	F644 P670	F644-P691 HydrophobicContact CB-CG 4.38Å; F644-P691 HydrophobicContact CD2-CG 3.85Å; F644-P691 HydrophobicContact CE2-CG 4.44Å; F644-P691 HydrophobicContact CG-CG 4.23Å; P670-P691 HydrophobicContact CB-CG 4.47Å
692	S	84.8	Confident	91.6	Very high	118 Å²	118	23.2 Å²	23.2	83%	0.825	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.1	2.6	177.3	57.8	0	0	0	0	114.4	T690	T690-S692 PolarHBondContact O-N 3.18Å; T690-S692 VanDerWaalsContact O-N 3.12Å; T690-S692 PolarHBondContact OG1-N 2.98Å; T690-S692 PolarHBondContact OG1-OG 2.71Å; T690-S692 VanDerWaalsContact OG1-OG 3.05Å
693	G	85.9	Confident	91.5	Very high	17 Å²	17	21.9 Å²	21.9	18%	0.175	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	116	-164.7	-179	0	0	0	0	0	113.5	T690	T690-G693 PolarHBondContact N-O 3.05Å; T690-G693 PolarHBondContact O-N 2.65Å; T690-G693 PolarHBondContact OG1-O 2.76Å
694	C	88.8	Confident	91.4	Very high	27 Å²	27	30.4 Å²	30.4	18%	0.182	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	149.9	178.2	-72.3	0	0	0	0	111.6	G688 P720	G688-C694 CarbonylContact O-C 3.51Å; G688-C694 VanDerWaalsContact O-CA 3.29Å; G688-C694 WeakPolarHBondContact O-CA 3.33Å; C694-P720 HydrophobicContact CB-CB 4.16Å; C694-P720 WeakPolarHBondContact O-CB 3.49Å
695	T	91.6	Very high	91.2	Very high	15 Å²	15	37 Å²	37	9%	0.092	19%	0.191	C	C	.	.			trans	-124.3	160.7	177	-168.8	0	0	0	0	111.5	L671 G687 G688 T690 K697 P720 R721	L671-T695 HydrophobicContact CD1-CG2 4.03Å; G687-T695 VanDerWaalsContact C-CG2 3.46Å; G687-T695 WeakPolarHBondContact CA-O 3.04Å; G687-T695 VanDerWaalsContact O-CG2 3.26Å; G687-T695 WeakPolarHBondContact O-CG2 3.18Å; G688-T695 PolarHBondContact O-N 2.92Å; T690-T695 HydrophobicContact CG2-CG2 4.13Å; T695-K697 PolarHBondContact OG1-N 3.03Å; T695-P720 WeakPolarHBondContact O-CA 3.31Å; T695-R721 PolarHBondContact O-N 3.32Å
696	N	92.7	Very high	91.1	Very high	35 Å²	35	42.5 Å²	42.5	19%	0.187	22%	0.215	C	C	.	.			trans	-123.2	14.4	167.5	61	-11.4	0	0	0	112.1	F686 I698 P718 P720	F686-N696 HydrophobicContact CE2-CB 4.3Å; F686-N696 VanDerWaalsContact CE2-O 3.23Å; F686-N696 WeakPolarHBondContact CE2-O 3.28Å; F686-N696 HydrophobicContact CZ-CB 4.09Å; N696-I698 PolarHBondContact O-N 3.19Å; N696-P718 VanDerWaalsContact CB-O 3.28Å; N696-P718 WeakPolarHBondContact CB-O 3.37Å; N696-P718 PolarHBondContact ND2-O 3.49Å; N696-P720 HydrophobicContact CB-CB 4.49Å; N696-P720 HydrophobicContact CB-CG 4.31Å
697	K	92.8	Very high	90.9	Very high	84 Å²	84	44.5 Å²	44.5	37%	0.365	23%	0.227	S	C	.	.			trans	-66.3	132.7	174	-65.8	-179.8	-172.7	177.4	0	110.1	E669 T695 R699	E669-K697 IonicContact OE1-NZ 2.72Å; E669-K697 PolarHBondContact OE1-NZ 3.11Å; E669-K697 IonicContact OE2-NZ 3.4Å; E669-K697 PolarHBondContact OE2-NZ 3.04Å; T695-K697 PolarHBondContact OG1-N 3.03Å; K697-R699 PolarHBondContact O-NH1 2.97Å
698	I	94.2	Very high	90.9	Very high	8 Å²	8	44.6 Å²	44.6	4%	0.041	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	137.2	159.3	-54.2	177.3	0	0	0	107.6	I684 L685 F686 N696 V700 L710 P711 T713 L753 W762 W764	I684-I698 HydrophobicContact CG2-CG2 3.87Å; L685-I698 WeakPolarHBondContact O-CA 3.45Å; F686-I698 HydrophobicContact CD2-CG1 4.08Å; N696-I698 PolarHBondContact O-N 3.19Å; I698-V700 HydrophobicContact CG2-CG2 4.06Å; I698-L710 WeakPolarHBondContact O-CD2 3.43Å; I698-P711 HydrophobicContact CB-CG 3.99Å; I698-P711 HydrophobicContact CD1-CG 4.44Å; I698-P711 HydrophobicContact CG2-CG 3.7Å; I698-T713 HydrophobicContact CD1-CG2 3.53Å; I698-T713 HydrophobicContact CG1-CG2 4.23Å; I698-L753 HydrophobicContact CD1-CD1 3.8Å; I698-L753 HydrophobicContact CD1-CD2 3.77Å; I698-L753 HydrophobicContact CD1-CG 4.46Å; I698-W762 HydrophobicContact CD1-CE3 3.92Å; I698-W762 HydrophobicContact CD1-CZ3 4.46Å; I698-W762 HydrophobicContact CG2-CE3 4.39Å; I698-W762 HydrophobicContact CG2-CZ3 3.98Å; I698-W764 HydrophobicContact CD1-CZ2 3.65Å; I698-W764 HydrophobicContact CG1-CZ2 3.77Å
699	R	93.8	Very high	91.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	130.7	168.9	-63	160.3	-179.5	87.3	-1.2	108.2	G667 E669 L685 K697 W708 L710	G667-R699 WeakPolarHBondContact O-CD 3.48Å; G667-R699 PolarHBondContact O-NE 2.95Å; E669-R699 IonicContact OE2-CZ 3.52Å; E669-R699 IonicContact OE2-NE 3.53Å; E669-R699 IonicContact OE2-NH2 3.4Å; E669-R699 PolarHBondContact OE2-NH2 2.8Å; L685-R699 HydrophobicContact CB-CB 4.28Å; L685-R699 PolarHBondContact N-O 3.18Å; L685-R699 PolarHBondContact O-N 3.34Å; K697-R699 PolarHBondContact O-NH1 2.97Å; R699-W708 HydrophobicContact CB-CE3 4.12Å; R699-W708 HydrophobicContact CB-CZ3 3.98Å; R699-L710 HydrophobicContact CB-CD2 4.37Å; R699-L710 HydrophobicContact CG-CD2 3.72Å
700	V	94.7	Very high	91.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.1	178.3	-172.4	0	0	0	0	108.8	W682 M683 I684 I698 W708 F709 P711 W762	W682-V700 HydrophobicContact CB-CG1 3.64Å; W682-V700 HydrophobicContact CD2-CG1 4.08Å; W682-V700 HydrophobicContact CE3-CG1 4.45Å; W682-V700 HydrophobicContact CG-CG1 3.73Å; M683-V700 WeakPolarHBondContact O-CA 3.45Å; I684-V700 HydrophobicContact CG1-CG1 4.39Å; I684-V700 HydrophobicContact CG1-CG2 4.32Å; I698-V700 HydrophobicContact CG2-CG2 4.06Å; V700-W708 CarbonylContact O-C 3.54Å; V700-W708 VanDerWaalsContact O-CA 3.3Å; V700-W708 WeakPolarHBondContact O-CA 3.49Å; V700-F709 HydrophobicContact CB-CD1 4.06Å; V700-F709 HydrophobicContact CB-CD2 4.14Å; V700-F709 HydrophobicContact CB-CE1 3.7Å; V700-F709 HydrophobicContact CB-CE2 3.77Å; V700-F709 HydrophobicContact CB-CG 4.29Å; V700-F709 HydrophobicContact CB-CZ 3.55Å; V700-F709 HydrophobicContact CG1-CD1 4.26Å; V700-F709 HydrophobicContact CG1-CE1 3.47Å; V700-F709 VanDerWaalsContact CG1-CE1 3.47Å; V700-F709 HydrophobicContact CG1-CE2 4.12Å; V700-F709 HydrophobicContact CG1-CZ 3.39Å; V700-F709 HydrophobicContact CG2-CD2 4.49Å; V700-F709 HydrophobicContact CG2-CE2 3.95Å; V700-F709 HydrophobicContact CG2-CZ 4.07Å; V700-F709 PolarHBondContact N-O 2.87Å; V700-F709 PolarHBondContact O-N 3.08Å; V700-P711 HydrophobicContact CG2-CG 3.85Å; V700-W762 HydrophobicContact CG2-CH2 3.45Å; V700-W762 VanDerWaalsContact CG2-CH2 3.45Å; V700-W762 HydrophobicContact CG2-CZ2 4.18Å; V700-W762 HydrophobicContact CG2-CZ3 4Å
701	F	94.3	Very high	91.5	Very high	1 Å²	1	48.4 Å²	48.4	0%	0.004	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	114.6	168	179.9	-104.2	0	0	0	109.2	L648 I661 M683 I703 K706 W708	L648-F701 HydrophobicContact CD2-CD1 3.85Å; L648-F701 HydrophobicContact CD2-CD2 3.88Å; L648-F701 HydrophobicContact CD2-CE1 3.44Å; L648-F701 VanDerWaalsContact CD2-CE1 3.44Å; L648-F701 HydrophobicContact CD2-CE2 3.47Å; L648-F701 VanDerWaalsContact CD2-CE2 3.47Å; L648-F701 HydrophobicContact CD2-CG 4.05Å; L648-F701 HydrophobicContact CD2-CZ 3.23Å; I661-F701 HydrophobicContact CG2-CZ 4.08Å; M683-F701 HydrophobicContact CB-CB 4.29Å; M683-F701 HydrophobicContact CE-CB 3.73Å; M683-F701 HydrophobicContact CE-CD1 4.1Å; M683-F701 HydrophobicContact CE-CG 4.14Å; M683-F701 PolarHBondContact N-O 2.87Å; M683-F701 PolarHBondContact O-N 2.77Å; F701-I703 HydrophobicContact CD1-CG1 3.84Å; F701-I703 HydrophobicContact CE1-CB 4.42Å; F701-I703 HydrophobicContact CE1-CG1 4.09Å; F701-I703 PolarHBondContact O-N 3.37Å; F701-K706 VanDerWaalsContact CE2-C 3.47Å; F701-K706 HydrophobicContact CE2-CB 4.44Å; F701-K706 HydrophobicContact CZ-CB 4.04Å; F701-K706 HydrophobicContact CZ-CG 4.47Å; F701-W708 HydrophobicContact CB-CD2 3.87Å; F701-W708 HydrophobicContact CB-CE3 3.7Å; F701-W708 HydrophobicContact CB-CH2 3.74Å; F701-W708 HydrophobicContact CB-CZ2 3.9Å; F701-W708 HydrophobicContact CB-CZ3 3.64Å; F701-W708 AromaticContact CD2-CD1 3.81Å; F701-W708 AromaticContact CD2-CD2 3.83Å; F701-W708 HydrophobicContact CD2-CD2 3.83Å; F701-W708 AromaticContact CD2-CE2 3.57Å; F701-W708 AromaticContact CD2-CG 3.97Å; F701-W708 HydrophobicContact CD2-CG 3.97Å; F701-W708 HydrophobicContact CD2-CZ2 4.06Å; F701-W708 AromaticContact CD2-NE1 3.57Å; F701-W708 HydrophobicContact CG-CD2 4.31Å; F701-W708 HydrophobicContact CG-CH2 4.46Å; F701-W708 HydrophobicContact CG-CZ2 4.14Å
702	D	93.5	Very high	91.9	Very high	13 Å²	13	49.4 Å²	49.4	7%	0.07	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	113.2	170	-173.5	-51.9	0	0	0	109.1	W682 R704 R705 K706 V707 F709	W682-D702 PolarHBondContact NE1-OD2 3.5Å; W682-D702 VanDerWaalsContact NE1-OD2 3.08Å; D702-R704 VanDerWaalsContact C-N 3.34Å; D702-R704 PolarHBondContact O-N 3.37Å; D702-R704 WeakPolarHBondContact OD1-CA 3.49Å; D702-R704 WeakPolarHBondContact OD1-CB 3.42Å; D702-R704 PolarHBondContact OD1-N 3.35Å; D702-R705 HydrophobicContact CB-CB 4.1Å; D702-R705 PolarHBondContact OD1-N 2.88Å; D702-R705 WeakPolarHBondContact OD2-CD 3.21Å; D702-K706 WeakPolarHBondContact O-CA 3.24Å; D702-K706 PolarHBondContact O-N 2.88Å; D702-V707 PolarHBondContact N-O 3.28Å; D702-V707 PolarHBondContact O-N 3.4Å; D702-F709 HydrophobicContact CB-CE1 4.45Å
703	I	93	Very high	92.2	Very high	17 Å²	17	45.5 Å²	45.5	9%	0.087	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-29	-174.2	-61.1	165.7	0	0	0	111.7	Y620 I625 L678 D681 M683 F701	Y620-I703 HydrophobicContact CD1-CG2 3.66Å; Y620-I703 HydrophobicContact CD2-CD1 3.69Å; Y620-I703 HydrophobicContact CD2-CG2 4.35Å; Y620-I703 HydrophobicContact CE1-CG2 3.58Å; Y620-I703 HydrophobicContact CE2-CB 4.48Å; Y620-I703 HydrophobicContact CE2-CD1 4.18Å; Y620-I703 HydrophobicContact CE2-CG2 4.28Å; Y620-I703 HydrophobicContact CG-CD1 3.96Å; Y620-I703 HydrophobicContact CG-CG2 4.05Å; I625-I703 HydrophobicContact CD1-CB 4.47Å; I625-I703 HydrophobicContact CD1-CD1 3.68Å; I625-I703 HydrophobicContact CD1-CG1 3.79Å; I625-I703 HydrophobicContact CD1-CG2 3.81Å; L678-I703 HydrophobicContact CD1-CD1 3.48Å; L678-I703 VanDerWaalsContact CD1-CD1 3.48Å; D681-I703 VanDerWaalsContact O-CB 3.3Å; D681-I703 WeakPolarHBondContact O-CB 3.26Å; D681-I703 WeakPolarHBondContact O-CD1 3.27Å; D681-I703 VanDerWaalsContact O-CG1 3.25Å; D681-I703 WeakPolarHBondContact O-CG1 3.32Å; D681-I703 PolarHBondContact O-N 3.31Å; M683-I703 HydrophobicContact CB-CD1 4.38Å; F701-I703 HydrophobicContact CD1-CG1 3.84Å; F701-I703 HydrophobicContact CE1-CB 4.42Å; F701-I703 HydrophobicContact CE1-CG1 4.09Å; F701-I703 PolarHBondContact O-N 3.37Å
704	R	92	Very high	92.5	Very high	179 Å²	179	45 Å²	45	68%	0.675	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-51	178.2	-64.4	-172.1	-171.7	-178.1	16.5	110.6	D681 D702 K706	D681-R704 HydrophobicContact CB-CG 4.02Å; D681-R704 IonicContact OD1-CZ 3.7Å; D681-R704 IonicContact OD1-NE 2.82Å; D681-R704 PolarHBondContact OD1-NE 3.32Å; D681-R704 IonicContact OD1-NH2 3.66Å; D681-R704 PolarHBondContact OD1-NH2 3.09Å; D681-R704 IonicContact OD2-CZ 2.69Å; D681-R704 IonicContact OD2-NE 3.45Å; D681-R704 PolarHBondContact OD2-NE 3.43Å; D681-R704 IonicContact OD2-NH2 3.49Å; D681-R704 PolarHBondContact OD2-NH2 3.49Å; D702-R704 VanDerWaalsContact C-N 3.34Å; D702-R704 PolarHBondContact O-N 3.37Å; D702-R704 WeakPolarHBondContact OD1-CA 3.49Å; D702-R704 WeakPolarHBondContact OD1-CB 3.42Å; D702-R704 PolarHBondContact OD1-N 3.35Å; R704-K706 VanDerWaalsContact C-N 3.34Å
705	R	92	Very high	92.5	Very high	139 Å²	139	49.7 Å²	49.7	53%	0.525	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-22.4	-179.1	-63.2	169.9	70.7	-160.5	1.6	112.6	D702 V707 E758	D702-R705 HydrophobicContact CB-CB 4.1Å; D702-R705 PolarHBondContact OD1-N 2.88Å; D702-R705 WeakPolarHBondContact OD2-CD 3.21Å; R705-V707 HydrophobicContact CB-CG2 4.45Å; R705-E758 IonicContact CZ-OE1 3.65Å; R705-E758 IonicContact CZ-OE2 3.52Å; R705-E758 IonicContact NH1-OE1 3.78Å; R705-E758 PolarHBondContact NH1-OE1 3.48Å; R705-E758 IonicContact NH1-OE2 3.34Å; R705-E758 PolarHBondContact NH1-OE2 3.08Å; R705-E758 IonicContact NH2-OE1 2.92Å
706	K	91	Very high	92.5	Very high	114 Å²	114	53.6 Å²	53.6	50%	0.496	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	43.7	-173.3	-54.5	176.6	-175	171.2	0	113	I661 F701 D702 R704	I661-K706 HydrophobicContact CG2-CB 4.43Å; F701-K706 VanDerWaalsContact CE2-C 3.47Å; F701-K706 HydrophobicContact CE2-CB 4.44Å; F701-K706 HydrophobicContact CZ-CB 4.04Å; F701-K706 HydrophobicContact CZ-CG 4.47Å; D702-K706 WeakPolarHBondContact O-CA 3.24Å; D702-K706 PolarHBondContact O-N 2.88Å; R704-K706 VanDerWaalsContact C-N 3.34Å
707	V	91.7	Very high	92.5	Very high	44 Å²	44	58.2 Å²	58.2	27%	0.267	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	139.1	-176.8	175.4	0	0	0	0	109.9	R664 D702 R705	R664-V707 HydrophobicContact CB-CG2 4.4Å; D702-V707 PolarHBondContact N-O 3.28Å; D702-V707 PolarHBondContact O-N 3.4Å; R705-V707 HydrophobicContact CB-CG2 4.45Å
708	W	92.6	Very high	92.5	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.008	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	137.5	168.4	-68.4	95.5	0	0	0	111.1	F627 L648 R664 G665 T666 M683 L685 R699 V700 F701	F627-W708 HydrophobicContact CD1-CH2 4.29Å; F627-W708 AromaticContact CD2-CH2 3.8Å; F627-W708 HydrophobicContact CD2-CH2 3.8Å; F627-W708 AromaticContact CD2-CZ2 3.49Å; F627-W708 HydrophobicContact CD2-CZ2 3.49Å; F627-W708 VanDerWaalsContact CD2-CZ2 3.49Å; F627-W708 HydrophobicContact CE1-CH2 4.24Å; F627-W708 AromaticContact CE2-CH2 3.7Å; F627-W708 HydrophobicContact CE2-CH2 3.7Å; F627-W708 AromaticContact CE2-CZ2 3.32Å; F627-W708 HydrophobicContact CE2-CZ2 3.32Å; F627-W708 HydrophobicContact CG-CH2 4.07Å; F627-W708 HydrophobicContact CG-CZ2 4.21Å; F627-W708 AromaticContact CZ-CH2 3.95Å; F627-W708 HydrophobicContact CZ-CH2 3.95Å; F627-W708 AromaticContact CZ-CZ2 3.98Å; F627-W708 HydrophobicContact CZ-CZ2 3.98Å; L648-W708 HydrophobicContact CD1-CZ2 4.3Å; L648-W708 HydrophobicContact CD2-CZ2 4.41Å; R664-W708 WeakPolarHBondContact O-CB 3.47Å; R664-W708 PolarHBondContact O-N 2.85Å; G665-W708 CarbonylContact C-O 3.58Å; G665-W708 WeakPolarHBondContact CA-O 3.03Å; T666-W708 PolarHBondContact N-O 2.98Å; T666-W708 VanDerWaalsContact N-O 3.14Å; T666-W708 CarbonylContact O-C 3.52Å; T666-W708 WeakPolarHBondContact O-CB 3.41Å; M683-W708 HydrophobicContact CE-CH2 3.56Å; M683-W708 HydrophobicContact CE-CZ2 4.02Å; M683-W708 HydrophobicContact CE-CZ3 4.4Å; L685-W708 HydrophobicContact CD1-CH2 3.63Å; L685-W708 HydrophobicContact CD1-CZ3 3.74Å; L685-W708 HydrophobicContact CG-CH2 4.28Å; L685-W708 HydrophobicContact CG-CZ3 4.14Å; R699-W708 HydrophobicContact CB-CE3 4.12Å; R699-W708 HydrophobicContact CB-CZ3 3.98Å; V700-W708 CarbonylContact O-C 3.54Å; V700-W708 VanDerWaalsContact O-CA 3.3Å; V700-W708 WeakPolarHBondContact O-CA 3.49Å; F701-W708 HydrophobicContact CB-CD2 3.87Å; F701-W708 HydrophobicContact CB-CE3 3.7Å; F701-W708 HydrophobicContact CB-CH2 3.74Å; F701-W708 HydrophobicContact CB-CZ2 3.9Å; F701-W708 HydrophobicContact CB-CZ3 3.64Å; F701-W708 AromaticContact CD2-CD1 3.81Å; F701-W708 AromaticContact CD2-CD2 3.83Å; F701-W708 HydrophobicContact CD2-CD2 3.83Å; F701-W708 AromaticContact CD2-CE2 3.57Å; F701-W708 AromaticContact CD2-CG 3.97Å; F701-W708 HydrophobicContact CD2-CG 3.97Å; F701-W708 HydrophobicContact CD2-CZ2 4.06Å; F701-W708 AromaticContact CD2-NE1 3.57Å; F701-W708 HydrophobicContact CG-CD2 4.31Å; F701-W708 HydrophobicContact CG-CH2 4.46Å; F701-W708 HydrophobicContact CG-CZ2 4.14Å
709	F	92.4	Very high	92.4	Very high	20 Å²	20	56 Å²	56	9%	0.088	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	160.9	166.3	67.5	-88.5	0	0	0	111.4	T666 W682 V700 D702 P711 E758	T666-F709 CarbonylContact O-C 3.42Å; T666-F709 WeakPolarHBondContact O-CA 3.4Å; T666-F709 PolarHBondContact O-N 2.81Å; W682-F709 HydrophobicContact CD2-CZ 4.13Å; W682-F709 AromaticContact CE2-CZ 3.93Å; W682-F709 HydrophobicContact CE3-CZ 4.39Å; W682-F709 HydrophobicContact CH2-CZ 4.31Å; W682-F709 HydrophobicContact CZ2-CZ 4.02Å; W682-F709 HydrophobicContact CZ3-CZ 4.48Å; V700-F709 HydrophobicContact CB-CD1 4.06Å; V700-F709 HydrophobicContact CB-CD2 4.14Å; V700-F709 HydrophobicContact CB-CE1 3.7Å; V700-F709 HydrophobicContact CB-CE2 3.77Å; V700-F709 HydrophobicContact CB-CG 4.29Å; V700-F709 HydrophobicContact CB-CZ 3.55Å; V700-F709 HydrophobicContact CG1-CD1 4.26Å; V700-F709 HydrophobicContact CG1-CE1 3.47Å; V700-F709 VanDerWaalsContact CG1-CE1 3.47Å; V700-F709 HydrophobicContact CG1-CE2 4.12Å; V700-F709 HydrophobicContact CG1-CZ 3.39Å; V700-F709 HydrophobicContact CG2-CD2 4.49Å; V700-F709 HydrophobicContact CG2-CE2 3.95Å; V700-F709 HydrophobicContact CG2-CZ 4.07Å; V700-F709 PolarHBondContact N-O 2.87Å; V700-F709 PolarHBondContact O-N 3.08Å; D702-F709 HydrophobicContact CB-CE1 4.45Å; F709-P711 HydrophobicContact CE2-CB 4.26Å; F709-E758 HydrophobicContact CD2-CG 4.09Å; F709-E758 HydrophobicContact CE1-CG 4.35Å; F709-E758 HydrophobicContact CE2-CB 4.38Å; F709-E758 HydrophobicContact CE2-CG 3.88Å; F709-E758 HydrophobicContact CG-CG 4.42Å; F709-E758 HydrophobicContact CZ-CB 4.37Å; F709-E758 HydrophobicContact CZ-CG 4.01Å
710	L	92.3	Very high	92.2	Very high	74 Å²	74	58.7 Å²	58.7	39%	0.387	29%	0.294	S	S	.	.			trans	-111.2	105.8	174.3	-61.2	174.8	0	0	0	107.4	I698 R699	I698-L710 WeakPolarHBondContact O-CD2 3.43Å; R699-L710 HydrophobicContact CB-CD2 4.37Å; R699-L710 HydrophobicContact CG-CD2 3.72Å
711	P	92.8	Very high	92	Very high	13 Å²	13	58.7 Å²	58.7	8%	0.084	29%	0.294	C	S	.	.			trans	-65.5	148.1	178.1	27.1	-33.9	0	0	0	110.5	I698 V700 F709 W762	I698-P711 HydrophobicContact CB-CG 3.99Å; I698-P711 HydrophobicContact CD1-CG 4.44Å; I698-P711 HydrophobicContact CG2-CG 3.7Å; V700-P711 HydrophobicContact CG2-CG 3.85Å; F709-P711 HydrophobicContact CE2-CB 4.26Å; P711-W762 HydrophobicContact CB-CD2 3.68Å; P711-W762 HydrophobicContact CB-CE3 4.13Å; P711-W762 HydrophobicContact CB-CG 4.06Å; P711-W762 HydrophobicContact CB-CH2 4.4Å; P711-W762 HydrophobicContact CB-CZ2 3.95Å; P711-W762 HydrophobicContact CB-CZ3 4.48Å; P711-W762 HydrophobicContact CG-CD2 3.92Å; P711-W762 HydrophobicContact CG-CE3 3.81Å; P711-W762 HydrophobicContact CG-CH2 4.08Å; P711-W762 HydrophobicContact CG-CZ2 4.14Å; P711-W762 HydrophobicContact CG-CZ3 3.91Å
712	L	92.1	Very high	91.8	Very high	118 Å²	118	58.8 Å²	58.8	62%	0.618	29%	0.294	S	S	*	.			trans	-69.6	137.4	169.8	-64.4	176.2	0	0	0	108.9	I761 W762	L712-I761 HydrophobicContact CB-CG1 4.41Å; L712-W762 PolarHBondContact O-N 3.33Å
713	T	92.9	Very high	91.3	Very high	35 Å²	35	59 Å²	59	22%	0.215	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-121.9	158.6	179.8	70.2	0	0	0	0	111.4	I698 W762	I698-T713 HydrophobicContact CD1-CG2 3.53Å; I698-T713 HydrophobicContact CG1-CG2 4.23Å; T713-W762 CarbonylContact C-O 3.6Å; T713-W762 VanDerWaalsContact CA-O 3.28Å; T713-W762 WeakPolarHBondContact CA-O 3.08Å
714	S	91.3	Very high	91.2	Very high	7 Å²	7	58.2 Å²	58.2	5%	0.049	29%	0.291	C	S	.	.			trans	-50.4	152.8	165.7	54.2	0	0	0	0	112.8	V716 W762 W764	S714-V716 CarbonylContact C-O 3.34Å; S714-V716 PolarHBondContact OG-O 3.08Å; S714-W762 PolarHBondContact N-O 3.24Å; S714-W764 WeakPolarHBondContact OG-CB 3.31Å; S714-W764 PolarHBondContact OG-N 3.2Å
715	P	89.2	Confident	91.1	Very high	126 Å²	126	49.8 Å²	49.8	82%	0.818	26%	0.26	S	S	*	.	S	Bend	trans	-65	-41.2	176.8	-22	33.5	0	0	0	112.9
716	V	91.2	Very high	91.2	Very high	97 Å²	97	44 Å²	44	59%	0.588	24%	0.239	S	C	*	.	S	Bend	trans	-69.8	129.1	167.7	-176.4	0	0	0	0	107.5	S714 W751 W764	S714-V716 CarbonylContact C-O 3.34Å; S714-V716 PolarHBondContact OG-O 3.08Å; V716-W751 HydrophobicContact CG1-CH2 4.22Å; V716-W751 HydrophobicContact CG1-CZ3 4.07Å; V716-W764 WeakPolarHBondContact O-CB 3.35Å
717	R	92.3	Very high	91.3	Very high	131 Å²	131	38.9 Å²	38.9	49%	0.494	22%	0.217	S	C	.	.			trans	-166.6	161.1	-175.3	60	-172.3	170.7	-175	-3	111.3	W764	R717-W764 HydrophobicContact CB-CB 4.45Å; R717-W764 HydrophobicContact CB-CG 4Å
718	P	92.9	Very high	91.4	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-63.6	152.3	-179.6	-9.5	18	0	0	0	113	F686 N696 W751 W764	F686-P718 HydrophobicContact CE1-CB 4.47Å; F686-P718 HydrophobicContact CE1-CG 4.44Å; F686-P718 HydrophobicContact CE2-CG 4.39Å; F686-P718 HydrophobicContact CZ-CB 3.93Å; F686-P718 HydrophobicContact CZ-CG 3.78Å; N696-P718 VanDerWaalsContact CB-O 3.28Å; N696-P718 WeakPolarHBondContact CB-O 3.37Å; N696-P718 PolarHBondContact ND2-O 3.49Å; P718-W751 HydrophobicContact CB-CD2 3.84Å; P718-W751 HydrophobicContact CB-CE3 4.41Å; P718-W751 HydrophobicContact CB-CG 3.93Å; P718-W751 HydrophobicContact CB-CZ2 4.45Å; P718-W751 HydrophobicContact CG-CB 3.92Å; P718-W751 HydrophobicContact CG-CD2 3.59Å; P718-W751 HydrophobicContact CG-CE3 3.85Å; P718-W751 HydrophobicContact CG-CG 3.63Å; P718-W764 HydrophobicContact CG-CD2 3.94Å; P718-W764 HydrophobicContact CG-CE3 3.6Å; P718-W764 HydrophobicContact CG-CH2 3.89Å; P718-W764 HydrophobicContact CG-CZ2 4.19Å; P718-W764 HydrophobicContact CG-CZ3 3.57Å
719	S	91.2	Very high	91.4	Very high	45 Å²	45	40.4 Å²	40.4	32%	0.315	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-62.6	150.8	171.3	53.7	0	0	0	0	113	R721	S719-R721 WeakPolarHBondContact O-CG 3.31Å; S719-R721 PolarHBondContact O-N 2.76Å; S719-R721 PolarHBondContact O-NE 2.93Å; S719-R721 PolarHBondContact OG-NH2 2.61Å
720	P	91.6	Very high	91.3	Very high	57 Å²	57	42.4 Å²	42.4	37%	0.37	24%	0.235	S	C	.	.	S	Bend	trans	-58.2	120.2	176.6	-24.8	34.6	0	0	0	113.3	C694 T695 N696 C741	C694-P720 HydrophobicContact CB-CB 4.16Å; C694-P720 WeakPolarHBondContact O-CB 3.49Å; T695-P720 WeakPolarHBondContact O-CA 3.31Å; N696-P720 HydrophobicContact CB-CB 4.49Å; N696-P720 HydrophobicContact CB-CG 4.31Å; P720-C741 PolarHBondContact O-SG 3.37Å
721	R	90.2	Very high	91.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.251	C	S	.	.			trans	-148.3	153.7	-167.7	62.4	-178.9	73.9	-163.5	-2.1	113.7	F686 G688 T695 S719 G738 E740 L747 D749	F686-R721 HydrophobicContact CE1-CG 3.93Å; G688-R721 PolarHBondContact N-O 2.83Å; T695-R721 PolarHBondContact O-N 3.32Å; S719-R721 WeakPolarHBondContact O-CG 3.31Å; S719-R721 PolarHBondContact O-N 2.76Å; S719-R721 PolarHBondContact O-NE 2.93Å; S719-R721 PolarHBondContact OG-NH2 2.61Å; R721-G738 WeakPolarHBondContact CD-O 3.48Å; R721-G738 PolarHBondContact NH1-O 3.3Å; R721-E740 WeakPolarHBondContact CA-O 3.46Å; R721-L747 HydrophobicContact CB-CD1 3.95Å; R721-D749 IonicContact CZ-OD1 3.11Å; R721-D749 IonicContact CZ-OD2 2.71Å; R721-D749 IonicContact NH1-OD1 2.68Å; R721-D749 PolarHBondContact NH1-OD1 2.81Å; R721-D749 IonicContact NH1-OD2 2.7Å; R721-D749 PolarHBondContact NH1-OD2 2.96Å; R721-D749 IonicContact NH2-OD1 3.74Å; R721-D749 PolarHBondContact NH2-OD1 3.07Å; R721-D749 IonicContact NH2-OD2 2.74Å; R721-D749 PolarHBondContact NH2-OD2 3.4Å
722	C	88.4	Confident	91.3	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.02	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-125.8	174.1	168.9	75.2	0	0	0	0	110.7	N673 L689 H724 G739 E740	N673-C722 HydrophobicContact CB-CB 3.96Å; L689-C722 HydrophobicContact CB-CB 4.44Å; C722-H724 PolarHBondContact O-N 3.09Å; C722-G739 CarbonylContact O-C 3.56Å; C722-G739 WeakPolarHBondContact O-CA 3.29Å; C722-E740 PolarHBondContact N-O 3.38Å; C722-E740 PolarHBondContact O-N 3.08Å
723	L	84.5	Confident	91.4	Very high	16 Å²	16	45.5 Å²	45.5	8%	0.084	25%	0.247	C	C	.	.	S	Bend	trans	59.1	11	177.1	-59.9	176.4	0	0	0	116.5	N673 R782 L913 F940	N673-L723 HydrophobicContact CB-CD2 3.89Å; N673-L723 HydrophobicContact CB-CG 4.26Å; N673-L723 PolarHBondContact O-N 2.85Å; N673-L723 WeakPolarHBondContact OD1-CD2 3.49Å; L723-R782 HydrophobicContact CD2-CG 3.71Å; L723-L913 HydrophobicContact CD2-CD2 3.89Å; L723-F940 HydrophobicContact CD1-CD2 3.66Å; L723-F940 HydrophobicContact CD1-CE2 4.07Å; L723-F940 HydrophobicContact CD1-CG 4.28Å
724	H	90.1	Very high	91.5	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.009	24%	0.237	C	C	.	.			trans	-69.9	161.1	171.1	53.1	-87.1	0	0	0	111.1	S675 F686 C722 I736 G738	S675-H724 PolarHBondContact OG-CD2 3.12Å; S675-H724 VanDerWaalsContact OG-CD2 3.27Å; S675-H724 PolarHBondContact OG-NE2 2.9Å; F686-H724 AromaticContact CD1-CD2 3.95Å; F686-H724 AromaticContact CD1-CE1 3.92Å; F686-H724 AromaticContact CD1-NE2 3.51Å; F686-H724 PolarHBondContact O-CE1 3.11Å; F686-H724 PolarHBondContact O-NE2 2.78Å; F686-H724 VanDerWaalsContact O-NE2 3.12Å; C722-H724 PolarHBondContact O-N 3.09Å; H724-I736 HydrophobicContact CB-CG2 4.14Å; H724-G738 VanDerWaalsContact CB-O 3.27Å; H724-G738 WeakPolarHBondContact CB-O 3.21Å
725	S	90.9	Very high	91.6	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.014	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	146.6	168.6	-70.8	0	0	0	0	110.7	I736 V737 S781 R782 A784	S725-I736 WeakPolarHBondContact O-CA 3.23Å; S725-V737 PolarHBondContact N-O 3.4Å; S725-V737 VanDerWaalsContact N-O 3.08Å; S725-V737 PolarHBondContact O-N 2.98Å; S725-S781 PolarHBondContact OG-O 3.03Å; S725-S781 VanDerWaalsContact OG-O 3.06Å; S725-R782 PolarHBondContact OG-O 2.83Å; S725-A784 PolarHBondContact OG-N 2.74Å
726	Q	92.8	Very high	91.9	Very high	18 Å²	18	37.5 Å²	37.5	8%	0.084	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	129.5	176.2	177.4	-179.4	-5.7	0	0	108.5	S675 A676 S677 I684 L734 L735 I736	S675-Q726 VanDerWaalsContact CB-OE1 3.26Å; S675-Q726 VanDerWaalsContact OG-CB 3.28Å; S675-Q726 WeakPolarHBondContact OG-CB 3.48Å; S675-Q726 PolarHBondContact OG-OE1 2.96Å; A676-Q726 VanDerWaalsContact N-OE1 3.13Å; S677-Q726 VanDerWaalsContact CB-NE2 3.32Å; S677-Q726 VanDerWaalsContact OG-CD 3.29Å; S677-Q726 WeakPolarHBondContact OG-CG 3.44Å; S677-Q726 PolarHBondContact OG-NE2 3.49Å; I684-Q726 PolarHBondContact O-NE2 2.63Å; I684-Q726 VanDerWaalsContact O-NE2 3.07Å; Q726-L734 HydrophobicContact CG-CD1 3.67Å; Q726-L734 HydrophobicContact CG-CD2 3.83Å; Q726-L734 HydrophobicContact CG-CG 3.89Å; Q726-L734 VanDerWaalsContact NE2-CD2 3.3Å; Q726-L735 CarbonylContact C-O 3.54Å; Q726-L735 VanDerWaalsContact CA-O 3.32Å; Q726-L735 WeakPolarHBondContact CA-O 3.41Å; Q726-I736 HydrophobicContact CB-CD1 3.9Å; Q726-I736 HydrophobicContact CG-CD1 3.83Å
727	V	93.3	Very high	91.9	Very high	6 Å²	6	33 Å²	33	4%	0.036	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	125.5	-173.7	-176.2	0	0	0	0	109.9	L735 A784 K786 A791 M887	V727-L735 HydrophobicContact CB-CB 4.42Å; V727-L735 PolarHBondContact N-O 3.11Å; V727-L735 PolarHBondContact O-N 2.83Å; V727-A784 HydrophobicContact CG2-CB 4.03Å; V727-K786 HydrophobicContact CG1-CB 4.17Å; V727-K786 HydrophobicContact CG1-CD 4.46Å; V727-A791 HydrophobicContact CG1-CB 4.21Å; V727-A791 HydrophobicContact CG2-CB 4.12Å; V727-M887 HydrophobicContact CG1-CE 4.32Å; V727-M887 HydrophobicContact CG1-SD 4.08Å
728	I	93.4	Very high	91.7	Very high	52 Å²	52	26.8 Å²	26.8	27%	0.267	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	124.9	176.4	-59.4	162.3	0	0	0	109.8	L678 I679 D730 L734 K786	L678-I728 WeakPolarHBondContact O-CD1 3.44Å; I679-I728 HydrophobicContact CD1-CG1 4.48Å; I679-I728 HydrophobicContact CD1-CG2 4.34Å; I679-I728 HydrophobicContact CG1-CD1 4.29Å; I679-I728 HydrophobicContact CG1-CG1 4.19Å; I679-I728 HydrophobicContact CG1-CG2 4.28Å; I728-D730 WeakPolarHBondContact CG2-O 3.47Å; I728-L734 HydrophobicContact CG1-CD1 3.8Å; I728-K786 WeakPolarHBondContact O-CD 3.37Å; I728-K786 WeakPolarHBondContact O-CE 3.23Å; I728-K786 PolarHBondContact O-NZ 3.49Å
729	L	92.5	Very high	91.3	Very high	26 Å²	26	26.9 Å²	26.9	14%	0.136	15%	0.146	C	C	.	.			trans	-85.4	-45.1	172.9	-67.5	179.8	0	0	0	111.7	H733 L735 L752 K786 M887 V890	L729-H733 HydrophobicContact CB-CB 3.88Å; L729-H733 HydrophobicContact CD1-CB 4.19Å; L729-H733 PolarHBondContact N-O 2.82Å; L729-L735 HydrophobicContact CD1-CD1 4.15Å; L729-L735 HydrophobicContact CD1-CD2 4.03Å; L729-L735 HydrophobicContact CD1-CG 3.77Å; L729-L735 HydrophobicContact CD2-CD1 3.88Å; L729-L735 HydrophobicContact CD2-CG 4.18Å; L729-L735 HydrophobicContact CG-CD1 4.2Å; L729-L735 HydrophobicContact CG-CG 3.93Å; L729-L752 HydrophobicContact CD1-CD1 3.84Å; L729-K786 VanDerWaalsContact C-NZ 3.32Å; L729-K786 PolarHBondContact O-NZ 3.02Å; L729-M887 HydrophobicContact CD2-CB 3.87Å; L729-M887 HydrophobicContact CD2-CE 3.91Å; L729-M887 HydrophobicContact CD2-CG 4.26Å; L729-M887 HydrophobicContact CD2-SD 3.61Å; L729-V890 HydrophobicContact CD1-CB 4.14Å; L729-V890 HydrophobicContact CD1-CG1 3.67Å; L729-V890 HydrophobicContact CD1-CG2 4.33Å
730	D	91.8	Very high	90.7	Very high	62 Å²	62	26 Å²	26	33%	0.332	14%	0.137	S	C	.	.	S	Bend	trans	-159.3	-167.2	178.3	52.6	58.5	0	0	0	109.2	I728 E732 H733	I728-D730 WeakPolarHBondContact CG2-O 3.47Å; D730-E732 PolarHBondContact O-N 3.39Å; D730-E732 WeakPolarHBondContact OD1-CA 3.48Å; D730-E732 PolarHBondContact OD1-N 2.7Å; D730-H733 PolarHBondContact N-O 3.48Å; D730-H733 WeakPolarHBondContact OD1-CB 3.45Å; D730-H733 IonicContact OD1-CG 3.48Å; D730-H733 PolarHBondContact OD1-N 3.03Å; D730-H733 IonicContact OD1-ND1 2.73Å; D730-H733 PolarHBondContact OD1-ND1 2.93Å; D730-H733 IonicContact OD2-CG 3.86Å; D730-H733 IonicContact OD2-ND1 3.54Å; D730-H733 PolarHBondContact OD2-ND1 2.84Å
731	D	91.4	Very high	89.9	Confident	135 Å²	135	24.6 Å²	24.6	72%	0.722	13%	0.128	S	C	*	.	S	Bend	trans	-73.3	-3.5	-177.4	-64	-46.1	0	0	0	114	I679	I679-D731 WeakPolarHBondContact CG2-O 3.45Å
732	E	92.9	Very high	88.7	Confident	118 Å²	118	31 Å²	31	55%	0.551	16%	0.16	S	C	*	.	S	Bend	trans	-124.4	-17.6	178.4	-64.3	-179.3	172.2	0	0	113	D730 V755	D730-E732 PolarHBondContact O-N 3.39Å; D730-E732 WeakPolarHBondContact OD1-CA 3.48Å; D730-E732 PolarHBondContact OD1-N 2.7Å; E732-V755 WeakPolarHBondContact O-CB 3.05Å; E732-V755 PolarHBondContact O-N 3.49Å
733	H	94.5	Very high	87.2	Confident	16 Å²	16	33.8 Å²	33.8	7%	0.074	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	133.3	-169.6	-63.2	88.3	0	0	0	114	L729 D730 L752 T754 M891	L729-H733 HydrophobicContact CB-CB 3.88Å; L729-H733 HydrophobicContact CD1-CB 4.19Å; L729-H733 PolarHBondContact N-O 2.82Å; D730-H733 PolarHBondContact N-O 3.48Å; D730-H733 WeakPolarHBondContact OD1-CB 3.45Å; D730-H733 IonicContact OD1-CG 3.48Å; D730-H733 PolarHBondContact OD1-N 3.03Å; D730-H733 IonicContact OD1-ND1 2.73Å; D730-H733 PolarHBondContact OD1-ND1 2.93Å; D730-H733 IonicContact OD2-CG 3.86Å; D730-H733 IonicContact OD2-ND1 3.54Å; D730-H733 PolarHBondContact OD2-ND1 2.84Å; H733-L752 HydrophobicContact CB-CD1 4.05Å; H733-T754 PolarHBondContact CD2-OG1 3.24Å; H733-T754 PolarHBondContact NE2-OG1 2.92Å; H733-T754 VanDerWaalsContact NE2-OG1 3.13Å; H733-M891 WeakPolarHBondContact NE2-CE 3.32Å
734	L	94.5	Very high	85.7	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	128.1	-175.6	-173.3	89.6	0	0	0	110.7	I679 I684 Q726 I728 I736 L753	I679-L734 HydrophobicContact CD1-CB 4.44Å; I679-L734 HydrophobicContact CD1-CD1 4.19Å; I684-L734 HydrophobicContact CG2-CD2 4.46Å; Q726-L734 HydrophobicContact CG-CD1 3.67Å; Q726-L734 HydrophobicContact CG-CD2 3.83Å; Q726-L734 HydrophobicContact CG-CG 3.89Å; Q726-L734 VanDerWaalsContact NE2-CD2 3.3Å; I728-L734 HydrophobicContact CG1-CD1 3.8Å; L734-I736 HydrophobicContact CD2-CD1 4.27Å; L734-L753 HydrophobicContact CB-CB 4.26Å; L734-L753 HydrophobicContact CB-CD2 4.49Å; L734-L753 HydrophobicContact CD2-CD2 3.82Å; L734-L753 PolarHBondContact N-O 3.43Å; L734-L753 PolarHBondContact O-N 3.24Å
735	L	94.9	Very high	84.3	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	139.1	171.5	-65.9	179.7	0	0	0	112	Q726 V727 L729 V737 V750 W751 L752 L767 M887 V890	Q726-L735 CarbonylContact C-O 3.54Å; Q726-L735 VanDerWaalsContact CA-O 3.32Å; Q726-L735 WeakPolarHBondContact CA-O 3.41Å; V727-L735 HydrophobicContact CB-CB 4.42Å; V727-L735 PolarHBondContact N-O 3.11Å; V727-L735 PolarHBondContact O-N 2.83Å; L729-L735 HydrophobicContact CD1-CD1 4.15Å; L729-L735 HydrophobicContact CD1-CD2 4.03Å; L729-L735 HydrophobicContact CD1-CG 3.77Å; L729-L735 HydrophobicContact CD2-CD1 3.88Å; L729-L735 HydrophobicContact CD2-CG 4.18Å; L729-L735 HydrophobicContact CG-CD1 4.2Å; L729-L735 HydrophobicContact CG-CG 3.93Å; L735-V737 HydrophobicContact CB-CG2 4.33Å; L735-V750 HydrophobicContact CD1-CG1 4.45Å; L735-V750 HydrophobicContact CD2-CG1 4.04Å; L735-W751 CarbonylContact C-O 3.55Å; L735-W751 VanDerWaalsContact CA-O 3.3Å; L735-W751 WeakPolarHBondContact CA-O 3.28Å; L735-L752 HydrophobicContact CD2-CB 4.11Å; L735-L752 HydrophobicContact CD2-CD1 3.87Å; L735-L767 HydrophobicContact CD2-CD1 3.66Å; L735-M887 HydrophobicContact CD1-CG 3.94Å; L735-M887 HydrophobicContact CD1-SD 3.59Å; L735-M887 VanDerWaalsContact CD1-SD 3.59Å; L735-V890 HydrophobicContact CD1-CG2 4.34Å; L735-V890 HydrophobicContact CD2-CG1 4.37Å
736	I	93.9	Very high	83.3	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	125.7	161.3	-57.3	-57.5	0	0	0	108.2	F686 H724 S725 Q726 L734 V750 W751 W764	F686-I736 HydrophobicContact CB-CD1 3.82Å; F686-I736 HydrophobicContact CD1-CB 4.41Å; F686-I736 HydrophobicContact CD1-CD1 3.65Å; F686-I736 HydrophobicContact CD1-CG1 3.71Å; F686-I736 HydrophobicContact CD1-CG2 3.84Å; F686-I736 HydrophobicContact CE1-CG1 4.13Å; F686-I736 HydrophobicContact CE1-CG2 3.82Å; F686-I736 HydrophobicContact CG-CD1 3.87Å; F686-I736 HydrophobicContact CG-CG1 4.09Å; H724-I736 HydrophobicContact CB-CG2 4.14Å; S725-I736 WeakPolarHBondContact O-CA 3.23Å; Q726-I736 HydrophobicContact CB-CD1 3.9Å; Q726-I736 HydrophobicContact CG-CD1 3.83Å; L734-I736 HydrophobicContact CD2-CD1 4.27Å; I736-V750 WeakPolarHBondContact O-CA 3.37Å; I736-W751 HydrophobicContact CB-CB 4.39Å; I736-W751 PolarHBondContact N-O 2.65Å; I736-W751 PolarHBondContact O-N 3.14Å; I736-W764 HydrophobicContact CB-CZ3 4.46Å; I736-W764 HydrophobicContact CG1-CH2 3.71Å; I736-W764 HydrophobicContact CG1-CZ3 3.76Å
737	V	92.2	Very high	82.6	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.012	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	118	-175.2	-179.6	0	0	0	0	110.2	S725 L735 V750 L779 F793 L885 W898	S725-V737 PolarHBondContact N-O 3.4Å; S725-V737 VanDerWaalsContact N-O 3.08Å; S725-V737 PolarHBondContact O-N 2.98Å; L735-V737 HydrophobicContact CB-CG2 4.33Å; V737-V750 HydrophobicContact CB-CG2 4.49Å; V737-V750 HydrophobicContact CG1-CG2 4.09Å; V737-V750 HydrophobicContact CG2-CG1 4.11Å; V737-V750 HydrophobicContact CG2-CG2 4.17Å; V737-L779 HydrophobicContact CG1-CD1 3.9Å; V737-F793 HydrophobicContact CB-CE1 4.17Å; V737-F793 HydrophobicContact CB-CZ 3.8Å; V737-F793 HydrophobicContact CG1-CE1 3.78Å; V737-F793 HydrophobicContact CG1-CE2 4.38Å; V737-F793 HydrophobicContact CG1-CZ 3.49Å; V737-F793 VanDerWaalsContact CG1-CZ 3.49Å; V737-F793 HydrophobicContact CG2-CZ 4.04Å; V737-L885 HydrophobicContact CG1-CD2 4.26Å; V737-L885 HydrophobicContact CG2-CD2 3.77Å; V737-W898 HydrophobicContact CG1-CH2 4.24Å; V737-W898 HydrophobicContact CG1-CZ2 3.98Å
738	G	87.5	Confident	82	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	60.9	-141.9	174	0	0	0	0	0	115.1	R721 H724 L747 D749	R721-G738 WeakPolarHBondContact CD-O 3.48Å; R721-G738 PolarHBondContact NH1-O 3.3Å; H724-G738 VanDerWaalsContact CB-O 3.27Å; H724-G738 WeakPolarHBondContact CB-O 3.21Å; G738-L747 WeakPolarHBondContact CA-O 3.48Å; G738-D749 PolarHBondContact N-O 2.98Å
739	G	84.7	Confident	81.7	Confident	4 Å²	4	50.6 Å²	50.6	4%	0.041	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	116.7	-169.5	-179	0	0	0	0	0	113.6	C722 L747	C722-G739 CarbonylContact O-C 3.56Å; C722-G739 WeakPolarHBondContact O-CA 3.29Å; G739-L747 WeakPolarHBondContact O-CB 3.38Å; G739-L747 PolarHBondContact O-N 2.79Å
740	E	78.6	Confident	81.8	Confident	27 Å²	27	49.4 Å²	49.4	13%	0.126	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	136.6	178	-174.7	174.7	-173.7	0	0	111.8	R721 C722 F940	R721-E740 WeakPolarHBondContact CA-O 3.46Å; C722-E740 PolarHBondContact N-O 3.38Å; C722-E740 PolarHBondContact O-N 3.08Å; E740-F940 WeakPolarHBondContact OE2-CB 3.28Å
741	C	74.2	Confident	81.9	Confident	27 Å²	27	47.1 Å²	47.1	18%	0.182	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	145.8	166.6	-71.5	0	0	0	0	110.4	P720 G743	P720-C741 PolarHBondContact O-SG 3.37Å; C741-G743 PolarHBondContact O-N 3.42Å
742	M	65	Low	82.2	Confident	135 Å²	135	40.7 Å²	40.7	67%	0.665	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	92.2	170.4	-66.5	-71.8	-75	0	0	109.9	L689	L689-M742 HydrophobicContact CD1-SD 4.33Å
743	G	57.3	Low	82.3	Confident	61 Å²	61	35.1 Å²	35.1	63%	0.629	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	163.5	1.7	-173.7	0	0	0	0	0	118.7	C741	C741-G743 PolarHBondContact O-N 3.42Å
744	K	53.6	Low	82.4	Confident	202 Å²	202	36.4 Å²	36.4	88%	0.878	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.2	27.4	179.3	-48	175.5	178.7	176.1	0	117.4
745	T	61.5	Low	82.4	Confident	82 Å²	82	37 Å²	37	50%	0.503	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	123	169.5	48.7	0	0	0	0	112.1
746	N	69.2	Low	82.2	Confident	44 Å²	44	38.1 Å²	38.1	24%	0.235	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	135	160.1	-57.7	-51	0	0	0	107.4	F748 L778 W780	N746-F748 HydrophobicContact CB-CE2 3.98Å; N746-F748 HydrophobicContact CB-CZ 4.21Å; N746-F748 WeakPolarHBondContact O-CD2 3.33Å; N746-F748 WeakPolarHBondContact O-CE2 3.32Å; N746-L778 WeakPolarHBondContact ND2-CD1 3.29Å; N746-W780 PolarHBondContact ND2-NE1 2.95Å; N746-W780 PolarHBondContact OD1-NE1 3.45Å
747	L	77.1	Confident	82	Confident	25 Å²	25	45.3 Å²	45.3	13%	0.131	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	140	176.3	-52.1	177	0	0	0	109.4	R721 G738 G739 D749	R721-L747 HydrophobicContact CB-CD1 3.95Å; G738-L747 WeakPolarHBondContact CA-O 3.48Å; G739-L747 WeakPolarHBondContact O-CB 3.38Å; G739-L747 PolarHBondContact O-N 2.79Å; L747-D749 WeakPolarHBondContact CB-OD1 3.48Å
748	F	80.5	Confident	81.6	Confident	66 Å²	66	48.2 Å²	48.2	29%	0.289	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	6.9	178.6	-59.2	-97.8	0	0	0	111.8	N746 L776 P777	N746-F748 HydrophobicContact CB-CE2 3.98Å; N746-F748 HydrophobicContact CB-CZ 4.21Å; N746-F748 WeakPolarHBondContact O-CD2 3.33Å; N746-F748 WeakPolarHBondContact O-CE2 3.32Å; F748-L776 HydrophobicContact CB-CD1 4.28Å; F748-L776 HydrophobicContact CD1-CB 3.85Å; F748-L776 HydrophobicContact CD1-CD1 4Å; F748-L776 HydrophobicContact CE1-CB 3.88Å; F748-L776 HydrophobicContact CG-CD1 4.19Å; F748-P777 WeakPolarHBondContact CE1-O 3.29Å
749	D	88.7	Confident	81.5	Confident	30 Å²	30	55.5 Å²	55.5	16%	0.16	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	153.9	176.8	59.1	-12.5	0	0	0	111.5	R721 G738 L747 W751	R721-D749 IonicContact CZ-OD1 3.11Å; R721-D749 IonicContact CZ-OD2 2.71Å; R721-D749 IonicContact NH1-OD1 2.68Å; R721-D749 PolarHBondContact NH1-OD1 2.81Å; R721-D749 IonicContact NH1-OD2 2.7Å; R721-D749 PolarHBondContact NH1-OD2 2.96Å; R721-D749 IonicContact NH2-OD1 3.74Å; R721-D749 PolarHBondContact NH2-OD1 3.07Å; R721-D749 IonicContact NH2-OD2 2.74Å; R721-D749 PolarHBondContact NH2-OD2 3.4Å; G738-D749 PolarHBondContact N-O 2.98Å; L747-D749 WeakPolarHBondContact CB-OD1 3.48Å; D749-W751 PolarHBondContact OD2-NE1 3.23Å
750	V	93	Very high	81.8	Confident	0 Å²	0	58 Å²	58	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	131.1	174.8	179.3	0	0	0	0	108.3	L735 I736 V737 L767 V769 L885 V896	L735-V750 HydrophobicContact CD1-CG1 4.45Å; L735-V750 HydrophobicContact CD2-CG1 4.04Å; I736-V750 WeakPolarHBondContact O-CA 3.37Å; V737-V750 HydrophobicContact CB-CG2 4.49Å; V737-V750 HydrophobicContact CG1-CG2 4.09Å; V737-V750 HydrophobicContact CG2-CG1 4.11Å; V737-V750 HydrophobicContact CG2-CG2 4.17Å; V750-L767 HydrophobicContact CG1-CD1 4.08Å; V750-L767 PolarHBondContact O-N 3.05Å; V750-V769 HydrophobicContact CB-CG2 3.99Å; V750-V769 HydrophobicContact CG2-CG2 3.88Å; V750-L885 HydrophobicContact CG2-CD2 4.21Å; V750-V896 HydrophobicContact CB-CG2 4.01Å; V750-V896 HydrophobicContact CG1-CG1 4.43Å; V750-V896 HydrophobicContact CG1-CG2 4.2Å; V750-V896 HydrophobicContact CG2-CG2 3.96Å
751	W	95.5	Very high	82.5	Confident	15 Å²	15	61.4 Å²	61.4	6%	0.057	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	132.2	-178.3	-71.5	79.9	0	0	0	110	V716 P718 L735 I736 D749 W764 E765 Q766	V716-W751 HydrophobicContact CG1-CH2 4.22Å; V716-W751 HydrophobicContact CG1-CZ3 4.07Å; P718-W751 HydrophobicContact CB-CD2 3.84Å; P718-W751 HydrophobicContact CB-CE3 4.41Å; P718-W751 HydrophobicContact CB-CG 3.93Å; P718-W751 HydrophobicContact CB-CZ2 4.45Å; P718-W751 HydrophobicContact CG-CB 3.92Å; P718-W751 HydrophobicContact CG-CD2 3.59Å; P718-W751 HydrophobicContact CG-CE3 3.85Å; P718-W751 HydrophobicContact CG-CG 3.63Å; L735-W751 CarbonylContact C-O 3.55Å; L735-W751 VanDerWaalsContact CA-O 3.3Å; L735-W751 WeakPolarHBondContact CA-O 3.28Å; I736-W751 HydrophobicContact CB-CB 4.39Å; I736-W751 PolarHBondContact N-O 2.65Å; I736-W751 PolarHBondContact O-N 3.14Å; D749-W751 PolarHBondContact OD2-NE1 3.23Å; W751-W764 HydrophobicContact CB-CE3 4.07Å; W751-W764 HydrophobicContact CB-CZ3 4.06Å; W751-W764 HydrophobicContact CE3-CB 4.27Å; W751-W764 HydrophobicContact CE3-CE3 4.43Å; W751-W764 HydrophobicContact CZ3-CB 4.41Å; W751-E765 CarbonylContact C-O 3.59Å; W751-E765 WeakPolarHBondContact CA-O 3.05Å; W751-Q766 HydrophobicContact CD2-CB 4.02Å; W751-Q766 HydrophobicContact CD2-CG 4.26Å; W751-Q766 HydrophobicContact CE3-CB 3.95Å; W751-Q766 HydrophobicContact CH2-CB 3.87Å; W751-Q766 HydrophobicContact CH2-CG 4.47Å; W751-Q766 HydrophobicContact CZ2-CB 3.92Å; W751-Q766 HydrophobicContact CZ2-CG 4.01Å; W751-Q766 VanDerWaalsContact CZ2-OE1 3.31Å; W751-Q766 HydrophobicContact CZ3-CB 3.88Å
752	L	96.3	Very high	83.5	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	136.1	169.3	-179.8	64.4	0	0	0	109.5	L729 H733 L735 W764 E765 L767 V890 M891	L729-L752 HydrophobicContact CD1-CD1 3.84Å; H733-L752 HydrophobicContact CB-CD1 4.05Å; L735-L752 HydrophobicContact CD2-CB 4.11Å; L735-L752 HydrophobicContact CD2-CD1 3.87Å; L752-W764 WeakPolarHBondContact O-CA 3.45Å; L752-E765 HydrophobicContact CB-CB 4.4Å; L752-E765 PolarHBondContact N-O 3.02Å; L752-E765 PolarHBondContact O-N 3.08Å; L752-L767 HydrophobicContact CB-CD1 4.2Å; L752-L767 HydrophobicContact CB-CD2 3.93Å; L752-L767 HydrophobicContact CB-CG 4.09Å; L752-L767 HydrophobicContact CD2-CD2 4.35Å; L752-V890 HydrophobicContact CD1-CG1 4.07Å; L752-V890 HydrophobicContact CD2-CG1 3.95Å; L752-M891 HydrophobicContact CD2-SD 4.43Å
753	L	96.6	Very high	84.9	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	119.5	167.9	174.6	66.8	0	0	0	108.2	I698 L734 V755 W762 Q763 W764	I698-L753 HydrophobicContact CD1-CD1 3.8Å; I698-L753 HydrophobicContact CD1-CD2 3.77Å; I698-L753 HydrophobicContact CD1-CG 4.46Å; L734-L753 HydrophobicContact CB-CB 4.26Å; L734-L753 HydrophobicContact CB-CD2 4.49Å; L734-L753 HydrophobicContact CD2-CD2 3.82Å; L734-L753 PolarHBondContact N-O 3.43Å; L734-L753 PolarHBondContact O-N 3.24Å; L753-V755 HydrophobicContact CD2-CG2 4.1Å; L753-V755 HydrophobicContact CG-CG2 4.12Å; L753-W762 HydrophobicContact CD1-CB 3.99Å; L753-W762 HydrophobicContact CD1-CE3 4.2Å; L753-W762 HydrophobicContact CD2-CE3 3.99Å; L753-W762 HydrophobicContact CD2-CZ3 4.25Å; L753-W762 HydrophobicContact CG-CE3 4.36Å; L753-Q763 WeakPolarHBondContact CA-O 3.46Å; L753-W764 HydrophobicContact CB-CD2 4.34Å; L753-W764 HydrophobicContact CB-CE3 3.85Å; L753-W764 HydrophobicContact CB-CH2 4.01Å; L753-W764 HydrophobicContact CB-CZ2 4.48Å; L753-W764 HydrophobicContact CB-CZ3 3.68Å; L753-W764 HydrophobicContact CD1-CD2 3.91Å; L753-W764 HydrophobicContact CD1-CE3 4.3Å; L753-W764 HydrophobicContact CD1-CG 4.34Å; L753-W764 HydrophobicContact CD1-CH2 4.42Å; L753-W764 HydrophobicContact CD1-CZ2 4.05Å; L753-W764 HydrophobicContact CD2-CH2 4.13Å; L753-W764 HydrophobicContact CD2-CZ2 4.19Å; L753-W764 HydrophobicContact CG-CH2 4.43Å; L753-W764 HydrophobicContact CG-CZ2 4.49Å
754	T	95.8	Very high	86.7	Confident	43 Å²	43	56.1 Å²	56.1	26%	0.264	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	114.1	164.2	-62.1	0	0	0	0	108.5	H733 W762 Q763	H733-T754 PolarHBondContact CD2-OG1 3.24Å; H733-T754 PolarHBondContact NE2-OG1 2.92Å; H733-T754 VanDerWaalsContact NE2-OG1 3.13Å; T754-W762 WeakPolarHBondContact O-CA 3.36Å; T754-W762 WeakPolarHBondContact O-CB 3.41Å; T754-Q763 PolarHBondContact N-O 2.85Å; T754-Q763 PolarHBondContact O-N 3.19Å
755	V	94.2	Very high	88.6	Confident	13 Å²	13	49.7 Å²	49.7	8%	0.079	26%	0.26	C	S	.	.			trans	-84	110.1	179.8	175.2	0	0	0	0	108.6	I679 W682 I684 E732 L753 W762	I679-V755 HydrophobicContact CD1-CG2 4.17Å; W682-V755 HydrophobicContact CE3-CG1 4.48Å; W682-V755 HydrophobicContact CZ3-CG1 4.41Å; I684-V755 HydrophobicContact CD1-CG1 4.1Å; I684-V755 HydrophobicContact CD1-CG2 3.93Å; E732-V755 WeakPolarHBondContact O-CB 3.05Å; E732-V755 PolarHBondContact O-N 3.49Å; L753-V755 HydrophobicContact CD2-CG2 4.1Å; L753-V755 HydrophobicContact CG-CG2 4.12Å; V755-W762 HydrophobicContact CB-CE3 4.46Å; V755-W762 HydrophobicContact CB-CZ3 4.42Å; V755-W762 HydrophobicContact CG1-CD2 4.4Å; V755-W762 HydrophobicContact CG1-CE3 4.37Å; V755-W762 HydrophobicContact CG1-CH2 3.65Å; V755-W762 HydrophobicContact CG1-CZ2 3.7Å; V755-W762 HydrophobicContact CG1-CZ3 4.01Å; V755-W762 HydrophobicContact CG2-CE3 4.12Å; V755-W762 HydrophobicContact CG2-CH2 4.41Å; V755-W762 HydrophobicContact CG2-CZ3 3.95Å
756	G	90.6	Very high	90.2	Very high	24 Å²	24	50.1 Å²	50.1	25%	0.247	26%	0.256	C	S	.	.			trans	-95.1	-176.2	173	0	0	0	0	0	112.8	W682 T760 W762	W682-G756 WeakPolarHBondContact CZ3-O 3.48Å; G756-T760 VanDerWaalsContact C-OG1 3.32Å; G756-T760 WeakPolarHBondContact CA-OG1 3.18Å; G756-W762 PolarHBondContact O-NE1 3.26Å
757	H	89	Confident	91.4	Very high	151 Å²	151	48.1 Å²	48.1	70%	0.699	25%	0.246	S	C	*	.			trans	-60.5	162.4	169.3	-60.3	-67.7	0	0	0	112.3	N759 T760 W762	H757-N759 PolarHBondContact O-N 2.87Å; H757-N759 VanDerWaalsContact O-N 3.11Å; H757-T760 HydrophobicContact CB-CG2 4.06Å; H757-T760 PolarHBondContact N-OG1 3.01Å; H757-T760 PolarHBondContact O-N 2.87Å; H757-T760 PolarHBondContact O-OG1 2.75Å; H757-W762 PolarHBondContact O-NE1 3.08Å
758	E	85.3	Confident	92.2	Very high	62 Å²	62	51.8 Å²	51.8	29%	0.29	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-37.9	-172.4	-176.9	175.7	168.8	0	0	113.8	W682 R705 F709	W682-E758 HydrophobicContact CH2-CB 4.13Å; W682-E758 HydrophobicContact CZ2-CB 4.14Å; R705-E758 IonicContact CZ-OE1 3.65Å; R705-E758 IonicContact CZ-OE2 3.52Å; R705-E758 IonicContact NH1-OE1 3.78Å; R705-E758 PolarHBondContact NH1-OE1 3.48Å; R705-E758 IonicContact NH1-OE2 3.34Å; R705-E758 PolarHBondContact NH1-OE2 3.08Å; R705-E758 IonicContact NH2-OE1 2.92Å; F709-E758 HydrophobicContact CD2-CG 4.09Å; F709-E758 HydrophobicContact CE1-CG 4.35Å; F709-E758 HydrophobicContact CE2-CB 4.38Å; F709-E758 HydrophobicContact CE2-CG 3.88Å; F709-E758 HydrophobicContact CG-CG 4.42Å; F709-E758 HydrophobicContact CZ-CB 4.37Å; F709-E758 HydrophobicContact CZ-CG 4.01Å
759	N	85.9	Confident	92.6	Very high	154 Å²	154	51.1 Å²	51.1	82%	0.824	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	14.1	-178.2	-63	-25.8	0	0	0	114	H757	H757-N759 PolarHBondContact O-N 2.87Å; H757-N759 VanDerWaalsContact O-N 3.11Å
760	T	91	Very high	92.6	Very high	56 Å²	56	55 Å²	55	34%	0.344	28%	0.282	S	S	.	.	S	Bend	trans	-108.7	157.8	-179.9	64.9	0	0	0	0	111.5	G756 H757 W762	G756-T760 VanDerWaalsContact C-OG1 3.32Å; G756-T760 WeakPolarHBondContact CA-OG1 3.18Å; H757-T760 HydrophobicContact CB-CG2 4.06Å; H757-T760 PolarHBondContact N-OG1 3.01Å; H757-T760 PolarHBondContact O-N 2.87Å; H757-T760 PolarHBondContact O-OG1 2.75Å; T760-W762 PolarHBondContact O-N 3.37Å
761	I	92.3	Very high	92	Very high	99 Å²	99	57.6 Å²	57.6	51%	0.508	30%	0.298	S	S	.	.			trans	-80.8	111.1	176.8	-54.1	176.8	0	0	0	108.7	L712 Q763	L712-I761 HydrophobicContact CB-CG1 4.41Å; I761-Q763 PolarHBondContact O-NE2 2.94Å
762	W	95.3	Very high	90.9	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-71.1	131.7	175.2	-65	17.3	0	0	0	109.5	W682 I684 I698 V700 P711 L712 T713 S714 L753 T754 V755 G756 H757 T760	W682-W762 HydrophobicContact CE3-CH2 4.31Å; W682-W762 HydrophobicContact CE3-CZ2 4.05Å; W682-W762 HydrophobicContact CZ3-CH2 4.49Å; W682-W762 AromaticContact CZ3-CZ2 3.79Å; W682-W762 HydrophobicContact CZ3-CZ2 3.79Å; I684-W762 HydrophobicContact CD1-CH2 3.84Å; I684-W762 HydrophobicContact CD1-CZ3 3.95Å; I684-W762 HydrophobicContact CG1-CH2 4.2Å; I684-W762 HydrophobicContact CG1-CZ3 4.41Å; I684-W762 HydrophobicContact CG2-CZ3 4.18Å; I698-W762 HydrophobicContact CD1-CE3 3.92Å; I698-W762 HydrophobicContact CD1-CZ3 4.46Å; I698-W762 HydrophobicContact CG2-CE3 4.39Å; I698-W762 HydrophobicContact CG2-CZ3 3.98Å; V700-W762 HydrophobicContact CG2-CH2 3.45Å; V700-W762 VanDerWaalsContact CG2-CH2 3.45Å; V700-W762 HydrophobicContact CG2-CZ2 4.18Å; V700-W762 HydrophobicContact CG2-CZ3 4Å; P711-W762 HydrophobicContact CB-CD2 3.68Å; P711-W762 HydrophobicContact CB-CE3 4.13Å; P711-W762 HydrophobicContact CB-CG 4.06Å; P711-W762 HydrophobicContact CB-CH2 4.4Å; P711-W762 HydrophobicContact CB-CZ2 3.95Å; P711-W762 HydrophobicContact CB-CZ3 4.48Å; P711-W762 HydrophobicContact CG-CD2 3.92Å; P711-W762 HydrophobicContact CG-CE3 3.81Å; P711-W762 HydrophobicContact CG-CH2 4.08Å; P711-W762 HydrophobicContact CG-CZ2 4.14Å; P711-W762 HydrophobicContact CG-CZ3 3.91Å; L712-W762 PolarHBondContact O-N 3.33Å; T713-W762 CarbonylContact C-O 3.6Å; T713-W762 VanDerWaalsContact CA-O 3.28Å; T713-W762 WeakPolarHBondContact CA-O 3.08Å; S714-W762 PolarHBondContact N-O 3.24Å; L753-W762 HydrophobicContact CD1-CB 3.99Å; L753-W762 HydrophobicContact CD1-CE3 4.2Å; L753-W762 HydrophobicContact CD2-CE3 3.99Å; L753-W762 HydrophobicContact CD2-CZ3 4.25Å; L753-W762 HydrophobicContact CG-CE3 4.36Å; T754-W762 WeakPolarHBondContact O-CA 3.36Å; T754-W762 WeakPolarHBondContact O-CB 3.41Å; V755-W762 HydrophobicContact CB-CE3 4.46Å; V755-W762 HydrophobicContact CB-CZ3 4.42Å; V755-W762 HydrophobicContact CG1-CD2 4.4Å; V755-W762 HydrophobicContact CG1-CE3 4.37Å; V755-W762 HydrophobicContact CG1-CH2 3.65Å; V755-W762 HydrophobicContact CG1-CZ2 3.7Å; V755-W762 HydrophobicContact CG1-CZ3 4.01Å; V755-W762 HydrophobicContact CG2-CE3 4.12Å; V755-W762 HydrophobicContact CG2-CH2 4.41Å; V755-W762 HydrophobicContact CG2-CZ3 3.95Å; G756-W762 PolarHBondContact O-NE1 3.26Å; H757-W762 PolarHBondContact O-NE1 3.08Å; T760-W762 PolarHBondContact O-N 3.37Å
763	Q	94.6	Very high	89.6	Confident	97 Å²	97	66.3 Å²	66.3	45%	0.453	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	129.3	-172.2	-58.5	-57.5	-45	0	0	110.8	L753 T754 I761	L753-Q763 WeakPolarHBondContact CA-O 3.46Å; T754-Q763 PolarHBondContact N-O 2.85Å; T754-Q763 PolarHBondContact O-N 3.19Å; I761-Q763 PolarHBondContact O-NE2 2.94Å
764	W	95.5	Very high	87.6	Confident	15 Å²	15	71.5 Å²	71.5	6%	0.057	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	138.8	166	-70.8	102.7	0	0	0	111	F686 I698 S714 V716 R717 P718 I736 W751 L752 L753	F686-W764 AromaticContact CD2-CH2 3.71Å; F686-W764 HydrophobicContact CD2-CH2 3.71Å; F686-W764 AromaticContact CD2-CZ2 3.66Å; F686-W764 HydrophobicContact CD2-CZ2 3.66Å; F686-W764 AromaticContact CE2-CH2 3.61Å; F686-W764 HydrophobicContact CE2-CH2 3.61Å; F686-W764 AromaticContact CE2-CZ2 3.41Å; F686-W764 HydrophobicContact CE2-CZ2 3.41Å; F686-W764 VanDerWaalsContact CE2-CZ2 3.41Å; F686-W764 HydrophobicContact CG-CH2 4.23Å; F686-W764 HydrophobicContact CZ-CH2 4.08Å; F686-W764 HydrophobicContact CZ-CZ2 4.21Å; I698-W764 HydrophobicContact CD1-CZ2 3.65Å; I698-W764 HydrophobicContact CG1-CZ2 3.77Å; S714-W764 WeakPolarHBondContact OG-CB 3.31Å; S714-W764 PolarHBondContact OG-N 3.2Å; V716-W764 WeakPolarHBondContact O-CB 3.35Å; R717-W764 HydrophobicContact CB-CB 4.45Å; R717-W764 HydrophobicContact CB-CG 4Å; P718-W764 HydrophobicContact CG-CD2 3.94Å; P718-W764 HydrophobicContact CG-CE3 3.6Å; P718-W764 HydrophobicContact CG-CH2 3.89Å; P718-W764 HydrophobicContact CG-CZ2 4.19Å; P718-W764 HydrophobicContact CG-CZ3 3.57Å; I736-W764 HydrophobicContact CB-CZ3 4.46Å; I736-W764 HydrophobicContact CG1-CH2 3.71Å; I736-W764 HydrophobicContact CG1-CZ3 3.76Å; W751-W764 HydrophobicContact CB-CE3 4.07Å; W751-W764 HydrophobicContact CB-CZ3 4.06Å; W751-W764 HydrophobicContact CE3-CB 4.27Å; W751-W764 HydrophobicContact CE3-CE3 4.43Å; W751-W764 HydrophobicContact CZ3-CB 4.41Å; L752-W764 WeakPolarHBondContact O-CA 3.45Å; L753-W764 HydrophobicContact CB-CD2 4.34Å; L753-W764 HydrophobicContact CB-CE3 3.85Å; L753-W764 HydrophobicContact CB-CH2 4.01Å; L753-W764 HydrophobicContact CB-CZ2 4.48Å; L753-W764 HydrophobicContact CB-CZ3 3.68Å; L753-W764 HydrophobicContact CD1-CD2 3.91Å; L753-W764 HydrophobicContact CD1-CE3 4.3Å; L753-W764 HydrophobicContact CD1-CG 4.34Å; L753-W764 HydrophobicContact CD1-CH2 4.42Å; L753-W764 HydrophobicContact CD1-CZ2 4.05Å; L753-W764 HydrophobicContact CD2-CH2 4.13Å; L753-W764 HydrophobicContact CD2-CZ2 4.19Å; L753-W764 HydrophobicContact CG-CH2 4.43Å; L753-W764 HydrophobicContact CG-CZ2 4.49Å
765	E	93.7	Very high	85.8	Confident	66 Å²	66	71 Å²	71	31%	0.308	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	135.4	173	-175.2	177.2	-159.8	0	0	108.8	W751 L752 L767 R894	W751-E765 CarbonylContact C-O 3.59Å; W751-E765 WeakPolarHBondContact CA-O 3.05Å; L752-E765 HydrophobicContact CB-CB 4.4Å; L752-E765 PolarHBondContact N-O 3.02Å; L752-E765 PolarHBondContact O-N 3.08Å; E765-L767 HydrophobicContact CG-CD2 4.36Å; E765-R894 VanDerWaalsContact OE1-CD 3.31Å; E765-R894 WeakPolarHBondContact OE1-CD 3.5Å; E765-R894 WeakPolarHBondContact OE1-CG 3.27Å; E765-R894 IonicContact OE1-NE 3.87Å; E765-R894 WeakPolarHBondContact OE2-CD 3.44Å; E765-R894 IonicContact OE2-CZ 3.5Å; E765-R894 IonicContact OE2-NE 3.69Å; E765-R894 IonicContact OE2-NH1 2.68Å; E765-R894 PolarHBondContact OE2-NH1 2.89Å
766	Q	94.6	Very high	84.2	Confident	91 Å²	91	72.8 Å²	72.8	43%	0.425	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	127.4	170.5	-172.3	175.5	-15.4	0	0	108.2	W751	W751-Q766 HydrophobicContact CD2-CB 4.02Å; W751-Q766 HydrophobicContact CD2-CG 4.26Å; W751-Q766 HydrophobicContact CE3-CB 3.95Å; W751-Q766 HydrophobicContact CH2-CB 3.87Å; W751-Q766 HydrophobicContact CH2-CG 4.47Å; W751-Q766 HydrophobicContact CZ2-CB 3.92Å; W751-Q766 HydrophobicContact CZ2-CG 4.01Å; W751-Q766 VanDerWaalsContact CZ2-OE1 3.31Å; W751-Q766 HydrophobicContact CZ3-CB 3.88Å
767	L	94.5	Very high	83	Confident	3 Å²	3	71.7 Å²	71.7	2%	0.016	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	148.8	-179.1	-56.8	-174.7	0	0	0	111.2	L735 V750 L752 E765 V890 R894 V896	L735-L767 HydrophobicContact CD2-CD1 3.66Å; V750-L767 HydrophobicContact CG1-CD1 4.08Å; V750-L767 PolarHBondContact O-N 3.05Å; L752-L767 HydrophobicContact CB-CD1 4.2Å; L752-L767 HydrophobicContact CB-CD2 3.93Å; L752-L767 HydrophobicContact CB-CG 4.09Å; L752-L767 HydrophobicContact CD2-CD2 4.35Å; E765-L767 HydrophobicContact CG-CD2 4.36Å; L767-V890 HydrophobicContact CD1-CB 4.34Å; L767-V890 HydrophobicContact CD1-CG1 3.71Å; L767-V890 HydrophobicContact CD1-CG2 3.9Å; L767-R894 WeakPolarHBondContact CA-O 3.26Å; L767-R894 WeakPolarHBondContact CB-O 3.44Å; L767-R894 HydrophobicContact CD2-CB 4.25Å; L767-V896 HydrophobicContact CD1-CG1 3.95Å
768	D	92.3	Very high	81.8	Confident	101 Å²	101	65 Å²	65	54%	0.54	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	129.9	171.4	-72.9	-36.7	0	0	0	110.3	F770 R894 C895 V896	D768-F770 HydrophobicContact CB-CE2 3.73Å; D768-F770 HydrophobicContact CB-CZ 4.18Å; D768-R894 PolarHBondContact N-O 3.03Å; D768-R894 VanDerWaalsContact N-O 3.1Å; D768-C895 HydrophobicContact CB-CB 3.91Å; D768-C895 CarbonylContact O-C 3.55Å; D768-C895 VanDerWaalsContact O-CA 3.23Å; D768-C895 WeakPolarHBondContact O-CA 3.49Å; D768-C895 WeakPolarHBondContact O-CB 3.35Å; D768-V896 PolarHBondContact O-N 2.83Å
769	V	89.6	Confident	80.9	Confident	52 Å²	52	62.7 Å²	62.7	32%	0.315	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	111.3	-175	-176.6	0	0	0	0	110.4	V750 V896	V750-V769 HydrophobicContact CB-CG2 3.99Å; V750-V769 HydrophobicContact CG2-CG2 3.88Å; V769-V896 HydrophobicContact CB-CG2 4.4Å; V769-V896 HydrophobicContact CG1-CG2 4.43Å; V769-V896 HydrophobicContact CG2-CG2 3.94Å
770	F	88.4	Confident	79.6	Confident	111 Å²	111	57.3 Å²	57.3	49%	0.487	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	157.6	176	-61.9	-81.5	0	0	0	111.5	D768 C895 V896 T897 W898	D768-F770 HydrophobicContact CB-CE2 3.73Å; D768-F770 HydrophobicContact CB-CZ 4.18Å; F770-C895 HydrophobicContact CD2-CB 3.97Å; F770-C895 HydrophobicContact CE2-CB 3.65Å; F770-V896 PolarHBondContact N-O 2.86Å; F770-T897 HydrophobicContact CB-CG2 4.32Å; F770-T897 CarbonylContact O-C 3.56Å; F770-T897 WeakPolarHBondContact O-CA 3.37Å; F770-W898 PolarHBondContact O-N 2.73Å
771	T	81.6	Confident	78	Confident	55 Å²	55	55.3 Å²	55.3	34%	0.337	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	134.7	173.5	177.9	0	0	0	0	110.1	E773 L776	T771-E773 VanDerWaalsContact C-N 3.27Å; T771-E773 WeakPolarHBondContact CG2-O 3.26Å; T771-E773 PolarHBondContact OG1-N 2.86Å; T771-E773 VanDerWaalsContact OG1-N 3.09Å; T771-E773 PolarHBondContact OG1-O 3.04Å; T771-L776 HydrophobicContact CG2-CD2 4.01Å
772	N	72.2	Confident	76.7	Confident	124 Å²	124	52.1 Å²	52.1	66%	0.663	27%	0.27	S	S	*	.	S	Bend	trans	-86.9	-1	171.9	-65.7	-7	0	0	0	112.2	W898	N772-W898 PolarHBondContact N-O 2.9Å
773	E	69.2	Low	75.6	Confident	74 Å²	74	54.3 Å²	54.3	35%	0.346	28%	0.28	S	S	.	.	S	Bend	trans	-123.1	146.1	-171.1	-65.4	-69.9	171.5	0	0	111.4	T771 S775 I900	T771-E773 VanDerWaalsContact C-N 3.27Å; T771-E773 WeakPolarHBondContact CG2-O 3.26Å; T771-E773 PolarHBondContact OG1-N 2.86Å; T771-E773 VanDerWaalsContact OG1-N 3.09Å; T771-E773 PolarHBondContact OG1-O 3.04Å; E773-S775 PolarHBondContact O-N 3.34Å; E773-I900 HydrophobicContact CB-CD1 4.38Å; E773-I900 HydrophobicContact CG-CB 4.41Å; E773-I900 HydrophobicContact CG-CD1 3.9Å; E773-I900 HydrophobicContact CG-CG1 4.01Å
774	P	54.8	Low	75.2	Confident	111 Å²	111	50.6 Å²	50.6	72%	0.721	27%	0.265	S	S	*	.	S	Bend	trans	-72	-8.1	-176.2	29.9	-36.3	0	0	0	114.4
775	S	57.5	Low	74.8	Confident	31 Å²	31	50.2 Å²	50.2	22%	0.217	27%	0.265	C	S	.	.	S	Bend	trans	-133	126.3	177.1	69.2	0	0	0	0	111.1	E773	E773-S775 PolarHBondContact O-N 3.34Å
776	L	61.3	Low	74.6	Confident	52 Å²	52	50.3 Å²	50.3	27%	0.272	27%	0.265	S	S	.	.			trans	-71.6	147.3	175.3	-71.9	173	0	0	0	111.3	F748 T771	F748-L776 HydrophobicContact CB-CD1 4.28Å; F748-L776 HydrophobicContact CD1-CB 3.85Å; F748-L776 HydrophobicContact CD1-CD1 4Å; F748-L776 HydrophobicContact CE1-CB 3.88Å; F748-L776 HydrophobicContact CG-CD1 4.19Å; T771-L776 HydrophobicContact CG2-CD2 4.01Å
777	P	64.3	Low	74.4	Confident	1 Å²	1	46 Å²	46	1%	0.006	24%	0.244	C	C	.	.			trans	-62.6	138.2	175.3	24.1	-32.4	0	0	0	111.5	F748 L779 Y883 W898	F748-P777 WeakPolarHBondContact CE1-O 3.29Å; P777-L779 HydrophobicContact CB-CD2 3.97Å; P777-L779 HydrophobicContact CB-CG 4.48Å; P777-L779 HydrophobicContact CG-CD2 3.99Å; P777-L779 HydrophobicContact CG-CG 4.35Å; P777-L779 PolarHBondContact O-N 2.88Å; P777-L779 VanDerWaalsContact O-N 3.08Å; P777-Y883 HydrophobicContact CB-CD1 3.61Å; P777-Y883 HydrophobicContact CB-CD2 3.83Å; P777-Y883 HydrophobicContact CB-CE1 3.77Å; P777-Y883 HydrophobicContact CB-CE2 4Å; P777-Y883 HydrophobicContact CB-CG 3.63Å; P777-Y883 HydrophobicContact CG-CD1 4.02Å; P777-Y883 HydrophobicContact CG-CE1 4.4Å; P777-Y883 HydrophobicContact CG-CG 4.29Å; P777-W898 HydrophobicContact CG-CD2 3.76Å; P777-W898 HydrophobicContact CG-CE3 3.67Å; P777-W898 HydrophobicContact CG-CG 4.48Å; P777-W898 HydrophobicContact CG-CH2 3.95Å; P777-W898 HydrophobicContact CG-CZ2 4.05Å; P777-W898 HydrophobicContact CG-CZ3 3.75Å
778	L	63.7	Low	74	Confident	11 Å²	11	47.4 Å²	47.4	6%	0.058	26%	0.259	C	S	.	.			trans	-86.1	85.5	-179.7	-166.5	44.2	0	0	0	109.7	N746 W780 S795	N746-L778 WeakPolarHBondContact ND2-CD1 3.29Å; L778-W780 VanDerWaalsContact C-N 3.28Å; L778-W780 HydrophobicContact CD1-CD2 4.27Å; L778-W780 HydrophobicContact CD1-CH2 4.33Å; L778-W780 HydrophobicContact CD1-CZ2 3.73Å; L778-W780 HydrophobicContact CD2-CD2 4.27Å; L778-W780 HydrophobicContact CD2-CE3 3.98Å; L778-W780 HydrophobicContact CD2-CH2 3.23Å; L778-W780 HydrophobicContact CD2-CZ2 3.52Å; L778-W780 HydrophobicContact CD2-CZ3 3.47Å; L778-W780 VanDerWaalsContact CD2-CZ3 3.47Å; L778-W780 HydrophobicContact CG-CD2 3.68Å; L778-W780 HydrophobicContact CG-CE3 3.8Å; L778-W780 HydrophobicContact CG-CG 4.41Å; L778-W780 HydrophobicContact CG-CH2 3.74Å; L778-W780 HydrophobicContact CG-CZ2 3.59Å; L778-W780 HydrophobicContact CG-CZ3 3.83Å; L778-W780 PolarHBondContact O-N 3.29Å; L778-S795 WeakPolarHBondContact CA-OG 3.35Å; L778-S795 PolarHBondContact N-OG 3.12Å; L778-S795 PolarHBondContact O-OG 3.14Å
779	L	66.7	Low	73.9	Confident	13 Å²	13	45.5 Å²	45.5	7%	0.068	25%	0.249	C	C	.	.			trans	-69.2	73.9	-168.5	-60.4	176.9	0	0	0	113.7	V737 P777 F793 W898	V737-L779 HydrophobicContact CG1-CD1 3.9Å; P777-L779 HydrophobicContact CB-CD2 3.97Å; P777-L779 HydrophobicContact CB-CG 4.48Å; P777-L779 HydrophobicContact CG-CD2 3.99Å; P777-L779 HydrophobicContact CG-CG 4.35Å; P777-L779 PolarHBondContact O-N 2.88Å; P777-L779 VanDerWaalsContact O-N 3.08Å; L779-F793 HydrophobicContact CD2-CB 4.21Å; L779-F793 HydrophobicContact CD2-CD1 3.59Å; L779-F793 HydrophobicContact CD2-CE1 4.13Å; L779-F793 HydrophobicContact CD2-CG 4.02Å; L779-W898 HydrophobicContact CD1-CH2 4.2Å; L779-W898 HydrophobicContact CD1-CZ2 3.91Å; L779-W898 HydrophobicContact CD2-CH2 3.77Å; L779-W898 HydrophobicContact CD2-CZ2 4.27Å
780	W	58.1	Low	74	Confident	40 Å²	40	43.8 Å²	43.8	15%	0.152	24%	0.238	C	C	.	.			trans	-99.6	20.5	177	-67.9	-25.8	0	0	0	113.5	N746 L778 F912 P938	N746-W780 PolarHBondContact ND2-NE1 2.95Å; N746-W780 PolarHBondContact OD1-NE1 3.45Å; L778-W780 VanDerWaalsContact C-N 3.28Å; L778-W780 HydrophobicContact CD1-CD2 4.27Å; L778-W780 HydrophobicContact CD1-CH2 4.33Å; L778-W780 HydrophobicContact CD1-CZ2 3.73Å; L778-W780 HydrophobicContact CD2-CD2 4.27Å; L778-W780 HydrophobicContact CD2-CE3 3.98Å; L778-W780 HydrophobicContact CD2-CH2 3.23Å; L778-W780 HydrophobicContact CD2-CZ2 3.52Å; L778-W780 HydrophobicContact CD2-CZ3 3.47Å; L778-W780 VanDerWaalsContact CD2-CZ3 3.47Å; L778-W780 HydrophobicContact CG-CD2 3.68Å; L778-W780 HydrophobicContact CG-CE3 3.8Å; L778-W780 HydrophobicContact CG-CG 4.41Å; L778-W780 HydrophobicContact CG-CH2 3.74Å; L778-W780 HydrophobicContact CG-CZ2 3.59Å; L778-W780 HydrophobicContact CG-CZ3 3.83Å; L778-W780 PolarHBondContact O-N 3.29Å; W780-F912 HydrophobicContact CB-CD1 3.6Å; W780-F912 HydrophobicContact CB-CE1 3.96Å; W780-F912 HydrophobicContact CB-CG 4.3Å; W780-F912 HydrophobicContact CD2-CE1 4.41Å; W780-F912 HydrophobicContact CE3-CD1 4.21Å; W780-F912 AromaticContact CE3-CE1 3.57Å; W780-F912 HydrophobicContact CE3-CE1 3.57Å; W780-F912 HydrophobicContact CE3-CE2 4.06Å; W780-F912 AromaticContact CE3-CZ 3.46Å; W780-F912 HydrophobicContact CE3-CZ 3.46Å; W780-F912 VanDerWaalsContact CE3-CZ 3.46Å; W780-F912 HydrophobicContact CZ3-CE1 4.44Å; W780-F912 HydrophobicContact CZ3-CE2 4.39Å; W780-F912 AromaticContact CZ3-CZ 3.91Å; W780-F912 HydrophobicContact CZ3-CZ 3.91Å; W780-P938 HydrophobicContact CE3-CG 4.32Å; W780-P938 VanDerWaalsContact CH2-CD 3.49Å; W780-P938 HydrophobicContact CH2-CG 3.57Å; W780-P938 WeakPolarHBondContact CH2-O 3.5Å; W780-P938 HydrophobicContact CZ2-CG 4.37Å; W780-P938 WeakPolarHBondContact CZ2-O 3.44Å; W780-P938 HydrophobicContact CZ3-CG 3.55Å
781	S	58.7	Low	74.1	Confident	14 Å²	14	38.5 Å²	38.5	10%	0.098	21%	0.214	C	C	.	.			trans	-114.6	132.1	178.1	-175.2	0	0	0	0	111.8	S725 Q783	S725-S781 PolarHBondContact OG-O 3.03Å; S725-S781 VanDerWaalsContact OG-O 3.06Å; S781-Q783 PolarHBondContact O-N 2.87Å; S781-Q783 PolarHBondContact OG-N 2.96Å; S781-Q783 VanDerWaalsContact OG-N 3.09Å; S781-Q783 PolarHBondContact OG-O 3.35Å
782	R	64.2	Low	74.5	Confident	33 Å²	33	35.9 Å²	35.9	13%	0.125	20%	0.198	C	C	.	.	S	Bend	trans	-67.9	-20.6	167.2	-72.3	-172.1	-140.3	141	-4	113.7	S614 N673 L723 S725	S614-R782 PolarHBondContact OG-NH2 2.91Å; N673-R782 PolarHBondContact OD1-NE 3.35Å; N673-R782 PolarHBondContact OD1-NH2 3.2Å; L723-R782 HydrophobicContact CD2-CG 3.71Å; S725-R782 PolarHBondContact OG-O 2.83Å
783	Q	72.8	Confident	75.2	Confident	46 Å²	46	30 Å²	30	22%	0.215	17%	0.167	C	C	.	.			trans	-122.4	116	-170.1	-64.2	-162.3	-14.9	0	0	110.2	S781 V916	S781-Q783 PolarHBondContact O-N 2.87Å; S781-Q783 PolarHBondContact OG-N 2.96Å; S781-Q783 VanDerWaalsContact OG-N 3.09Å; S781-Q783 PolarHBondContact OG-O 3.35Å; Q783-V916 HydrophobicContact CB-CB 4.41Å; Q783-V916 VanDerWaalsContact OE1-N 3.09Å
784	A	85.8	Confident	75.9	Confident	18 Å²	18	27.4 Å²	27.4	15%	0.149	16%	0.155	C	C	.	.			trans	-100.2	155.7	154.7	0	0	0	0	0	108.5	S725 V727 I792 F793	S725-A784 PolarHBondContact OG-N 2.74Å; V727-A784 HydrophobicContact CG2-CB 4.03Å; A784-I792 VanDerWaalsContact CA-O 3.23Å; A784-I792 WeakPolarHBondContact CA-O 3.17Å; A784-I792 WeakPolarHBondContact CB-O 3.2Å; A784-F793 HydrophobicContact CB-CD1 3.82Å; A784-F793 HydrophobicContact CB-CD2 4.15Å; A784-F793 HydrophobicContact CB-CE1 3.52Å; A784-F793 HydrophobicContact CB-CE2 3.84Å; A784-F793 HydrophobicContact CB-CG 4.14Å; A784-F793 HydrophobicContact CB-CZ 3.5Å; A784-F793 VanDerWaalsContact CB-CZ 3.5Å
785	C	87.2	Confident	76.8	Confident	8 Å²	8	22.1 Å²	22.1	5%	0.054	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135.2	167.9	65.5	0	0	0	0	109.9	I792 V916 E918	C785-I792 PolarHBondContact N-O 3.25Å; C785-I792 VanDerWaalsContact N-O 3.09Å; C785-I792 PolarHBondContact O-N 3.33Å; C785-V916 HydrophobicContact CB-CG1 4.41Å; C785-E918 HydrophobicContact CB-CB 4.25Å
786	K	90.2	Very high	77.1	Confident	68 Å²	68	21 Å²	21	30%	0.296	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	140.3	171.4	-176.1	170.8	-179.5	-173.1	0	108.9	V727 I728 L729 G788 K790 M887	V727-K786 HydrophobicContact CG1-CB 4.17Å; V727-K786 HydrophobicContact CG1-CD 4.46Å; I728-K786 WeakPolarHBondContact O-CD 3.37Å; I728-K786 WeakPolarHBondContact O-CE 3.23Å; I728-K786 PolarHBondContact O-NZ 3.49Å; L729-K786 VanDerWaalsContact C-NZ 3.32Å; L729-K786 PolarHBondContact O-NZ 3.02Å; K786-G788 WeakPolarHBondContact CE-O 3.42Å; K786-G788 WeakPolarHBondContact CG-O 3.13Å; K786-K790 CarbonylContact C-O 3.53Å; K786-K790 WeakPolarHBondContact CA-O 3.37Å; K786-M887 HydrophobicContact CD-CE 4.36Å; K786-M887 HydrophobicContact CG-CE 4.1Å
787	V	88.6	Confident	77	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	93.3	172.6	175.1	0	0	0	0	106.1	F535 L538 D789 K790 I792 E918 I923	F535-V787 HydrophobicContact CD1-CG1 3.76Å; F535-V787 HydrophobicContact CE1-CB 4.32Å; F535-V787 HydrophobicContact CE1-CG1 3.53Å; F535-V787 HydrophobicContact CE1-CG2 3.86Å; F535-V787 HydrophobicContact CG-CG1 4.47Å; F535-V787 HydrophobicContact CZ-CG1 4.05Å; F535-V787 HydrophobicContact CZ-CG2 3.81Å; L538-V787 HydrophobicContact CD2-CG1 4.08Å; V787-D789 PolarHBondContact O-N 2.95Å; V787-K790 PolarHBondContact N-O 3.12Å; V787-K790 PolarHBondContact O-N 3.36Å; V787-K790 VanDerWaalsContact O-N 3.14Å; V787-I792 HydrophobicContact CB-CD1 4.47Å; V787-I792 HydrophobicContact CB-CG1 3.98Å; V787-I792 HydrophobicContact CG2-CG1 3.66Å; V787-E918 HydrophobicContact CG2-CG 4.36Å; V787-I923 HydrophobicContact CG2-CD1 4.15Å; V787-I923 HydrophobicContact CG2-CG1 4.31Å
788	G	86.8	Confident	76.6	Confident	32 Å²	32	23.5 Å²	23.5	33%	0.33	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	-120.3	-172.2	0	0	0	0	0	112.9	K786 K790	K786-G788 WeakPolarHBondContact CE-O 3.42Å; K786-G788 WeakPolarHBondContact CG-O 3.13Å; G788-K790 VanDerWaalsContact C-N 3.33Å
789	D	89.7	Confident	75.5	Confident	62 Å²	62	27.3 Å²	27.3	33%	0.332	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	2.8	177.8	60.7	-35.8	0	0	0	113.6	V787 M887 D888	V787-D789 PolarHBondContact O-N 2.95Å; D789-M887 WeakPolarHBondContact O-CA 3.17Å; D789-M887 VanDerWaalsContact O-CB 3.31Å; D789-M887 WeakPolarHBondContact O-CB 3.43Å; D789-M887 PolarHBondContact O-N 3.08Å; D789-D888 HydrophobicContact CB-CB 4.47Å
790	K	92	Very high	73.8	Confident	15 Å²	15	35.9 Å²	35.9	7%	0.065	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	141.9	-174.9	-61.3	167.6	-167.2	76.4	0	110.9	R536 L538 K786 V787 G788 I792 A884 L885 H886 M887	R536-K790 PolarHBondContact O-NZ 3.23Å; L538-K790 HydrophobicContact CD1-CB 4.44Å; L538-K790 HydrophobicContact CD1-CD 3.54Å; L538-K790 HydrophobicContact CG-CD 4.29Å; K786-K790 CarbonylContact C-O 3.53Å; K786-K790 WeakPolarHBondContact CA-O 3.37Å; V787-K790 PolarHBondContact N-O 3.12Å; V787-K790 PolarHBondContact O-N 3.36Å; V787-K790 VanDerWaalsContact O-N 3.14Å; G788-K790 VanDerWaalsContact C-N 3.33Å; K790-I792 HydrophobicContact CB-CD1 4.24Å; K790-A884 HydrophobicContact CB-CB 4.49Å; K790-L885 CarbonylContact C-O 3.55Å; K790-L885 VanDerWaalsContact CA-O 3.31Å; K790-L885 WeakPolarHBondContact CA-O 3.27Å; K790-H886 VanDerWaalsContact CE-CE1 3.49Å; K790-H886 WeakPolarHBondContact CE-CE1 3.34Å; K790-H886 WeakPolarHBondContact CE-ND1 3.48Å; K790-M887 VanDerWaalsContact C-CE 3.47Å
791	A	91.7	Very high	72.5	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	126.7	168.2	0	0	0	0	0	109.9	V727 F793 A884 L885 M887	V727-A791 HydrophobicContact CG1-CB 4.21Å; V727-A791 HydrophobicContact CG2-CB 4.12Å; A791-F793 HydrophobicContact CB-CE2 3.71Å; A791-F793 HydrophobicContact CB-CZ 4.43Å; A791-F793 WeakPolarHBondContact O-CD2 3.32Å; A791-A884 WeakPolarHBondContact O-CA 3.5Å; A791-L885 HydrophobicContact CB-CB 4.3Å; A791-L885 PolarHBondContact N-O 3.27Å; A791-L885 PolarHBondContact O-N 3.06Å; A791-M887 HydrophobicContact CB-CE 4.04Å; A791-M887 HydrophobicContact CB-SD 3.61Å
792	I	89.7	Confident	71.1	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	127	-173.3	-48.4	-57	0	0	0	110.6	L538 A784 C785 V787 K790 V882 Y883 A884 I923	L538-I792 HydrophobicContact CD1-CD1 3.59Å; L538-I792 HydrophobicContact CD2-CD1 3.77Å; L538-I792 HydrophobicContact CD2-CG1 4.4Å; L538-I792 HydrophobicContact CG-CD1 4.35Å; A784-I792 VanDerWaalsContact CA-O 3.23Å; A784-I792 WeakPolarHBondContact CA-O 3.17Å; A784-I792 WeakPolarHBondContact CB-O 3.2Å; C785-I792 PolarHBondContact N-O 3.25Å; C785-I792 VanDerWaalsContact N-O 3.09Å; C785-I792 PolarHBondContact O-N 3.33Å; V787-I792 HydrophobicContact CB-CD1 4.47Å; V787-I792 HydrophobicContact CB-CG1 3.98Å; V787-I792 HydrophobicContact CG2-CG1 3.66Å; K790-I792 HydrophobicContact CB-CD1 4.24Å; I792-V882 HydrophobicContact CG2-CG1 3.53Å; I792-Y883 WeakPolarHBondContact CA-O 3.38Å; I792-A884 HydrophobicContact CD1-CB 3.91Å; I792-I923 HydrophobicContact CB-CD1 4.01Å; I792-I923 HydrophobicContact CG1-CD1 3.98Å; I792-I923 HydrophobicContact CG2-CD1 3.71Å
793	F	87.2	Confident	69.4	Low	2 Å²	2	46 Å²	46	1%	0.009	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	146.3	179.8	-63.7	-102.8	0	0	0	109.8	V737 L779 A784 A791 Y883 L885 W898	V737-F793 HydrophobicContact CB-CE1 4.17Å; V737-F793 HydrophobicContact CB-CZ 3.8Å; V737-F793 HydrophobicContact CG1-CE1 3.78Å; V737-F793 HydrophobicContact CG1-CE2 4.38Å; V737-F793 HydrophobicContact CG1-CZ 3.49Å; V737-F793 VanDerWaalsContact CG1-CZ 3.49Å; V737-F793 HydrophobicContact CG2-CZ 4.04Å; L779-F793 HydrophobicContact CD2-CB 4.21Å; L779-F793 HydrophobicContact CD2-CD1 3.59Å; L779-F793 HydrophobicContact CD2-CE1 4.13Å; L779-F793 HydrophobicContact CD2-CG 4.02Å; A784-F793 HydrophobicContact CB-CD1 3.82Å; A784-F793 HydrophobicContact CB-CD2 4.15Å; A784-F793 HydrophobicContact CB-CE1 3.52Å; A784-F793 HydrophobicContact CB-CE2 3.84Å; A784-F793 HydrophobicContact CB-CG 4.14Å; A784-F793 HydrophobicContact CB-CZ 3.5Å; A784-F793 VanDerWaalsContact CB-CZ 3.5Å; A791-F793 HydrophobicContact CB-CE2 3.71Å; A791-F793 HydrophobicContact CB-CZ 4.43Å; A791-F793 WeakPolarHBondContact O-CD2 3.32Å; F793-Y883 PolarHBondContact N-O 3.17Å; F793-Y883 PolarHBondContact O-N 2.84Å; F793-L885 HydrophobicContact CD2-CB 4.48Å; F793-L885 HydrophobicContact CE2-CB 3.97Å; F793-L885 HydrophobicContact CE2-CD2 4.32Å; F793-W898 HydrophobicContact CB-CZ3 4.4Å; F793-W898 HydrophobicContact CD1-CH2 4.32Å; F793-W898 AromaticContact CD2-CH2 3.52Å; F793-W898 HydrophobicContact CD2-CH2 3.52Å; F793-W898 AromaticContact CD2-CZ3 3.55Å; F793-W898 HydrophobicContact CD2-CZ3 3.55Å; F793-W898 HydrophobicContact CE1-CH2 4.35Å; F793-W898 AromaticContact CE2-CH2 3.61Å; F793-W898 HydrophobicContact CE2-CH2 3.61Å; F793-W898 HydrophobicContact CE2-CZ3 4Å; F793-W898 AromaticContact CG-CH2 3.91Å; F793-W898 HydrophobicContact CG-CH2 3.91Å; F793-W898 HydrophobicContact CG-CZ3 4.06Å; F793-W898 HydrophobicContact CZ-CH2 4.04Å
794	L	82.5	Confident	67.4	Low	18 Å²	18	47 Å²	47	9%	0.094	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	125.2	176.2	-62.1	-173.7	0	0	0	109	W543 V880 V882 V916 V925	W543-L794 HydrophobicContact CH2-CD1 4.06Å; W543-L794 HydrophobicContact CH2-CD2 4.11Å; W543-L794 HydrophobicContact CZ2-CD2 4.15Å; L794-V880 HydrophobicContact CB-CG1 3.72Å; L794-V880 HydrophobicContact CD1-CG1 4.48Å; L794-V880 HydrophobicContact CD2-CG1 3.94Å; L794-V880 HydrophobicContact CG-CG1 4.24Å; L794-V882 HydrophobicContact CD2-CB 4.4Å; L794-V882 HydrophobicContact CD2-CG1 4.45Å; L794-V882 HydrophobicContact CD2-CG2 3.88Å; L794-V916 HydrophobicContact CD1-CG1 4.09Å; L794-V916 HydrophobicContact CD1-CG2 3.67Å; L794-V916 HydrophobicContact CG-CG1 4.32Å; L794-V916 HydrophobicContact CG-CG2 4.14Å; L794-V925 HydrophobicContact CD1-CB 4.47Å; L794-V925 HydrophobicContact CD1-CG1 4.09Å; L794-V925 HydrophobicContact CD1-CG2 3.5Å; L794-V925 VanDerWaalsContact CD1-CG2 3.5Å
795	S	73.8	Confident	64.9	Low	1 Å²	1	51 Å²	51	1%	0.007	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	158.7	-174.9	178.2	0	0	0	0	111.6	L778 N881	L778-S795 WeakPolarHBondContact CA-OG 3.35Å; L778-S795 PolarHBondContact N-OG 3.12Å; L778-S795 PolarHBondContact O-OG 3.14Å; S795-N881 PolarHBondContact N-O 3.38Å; S795-N881 VanDerWaalsContact N-O 3.17Å; S795-N881 WeakPolarHBondContact O-CA 3.5Å; S795-N881 WeakPolarHBondContact O-CB 3.49Å; S795-N881 PolarHBondContact O-N 3Å
796	C	64.8	Low	62.2	Low	8 Å²	8	55.4 Å²	55.4	5%	0.054	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-81.1	146	160.3	177.4	0	0	0	0	110.7	R878 D910	C796-R878 VanDerWaalsContact SG-CD 3.57Å; C796-D910 WeakPolarHBondContact CB-OD2 3.46Å
797	P	59.5	Low	59.3	Low	47 Å²	47	58 Å²	58	31%	0.305	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-64.9	147.1	168.6	26	-33.8	0	0	0	111.6	Y883	P797-Y883 WeakPolarHBondContact CA-OH 3.3Å
798	H	54.2	Low	56.6	Low	57 Å²	57	60.7 Å²	60.7	26%	0.264	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-75.5	128.4	178.4	-155	-60.5	0	0	0	110.1
799	V	41.2	Very low	54	Low	92 Å²	92	62.2 Å²	62.2	56%	0.558	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-71.7	137.8	169.5	-179.9	0	0	0	0	108.5	R801	V799-R801 PolarHBondContact O-N 2.87Å
800	E	30.6	Very low	51.3	Low	192 Å²	192	65.1 Å²	65.1	90%	0.897	36%	0.363	S	S	*	.			trans	-40.8	123.5	-172	-63.5	174.4	155.9	0	0	113.9
801	R	32.2	Very low	48.5	Very low	138 Å²	138	69 Å²	69	52%	0.521	39%	0.387	S	S	.	.			trans	-100.2	139.1	158.1	-82.2	169.2	165.8	-144.7	14.9	107.3	V799 Q805	V799-R801 PolarHBondContact O-N 2.87Å; R801-Q805 VanDerWaalsContact CD-OE1 3.27Å
802	S	29.4	Very low	45.6	Very low	88 Å²	88	77.6 Å²	77.6	62%	0.615	43%	0.425	S	S	*	.			trans	-54.5	147.5	-175.7	53.9	0	0	0	0	112.7	A804 Q805	S802-A804 PolarHBondContact O-N 2.89Å; S802-Q805 PolarHBondContact O-N 2.86Å
803	A	27.6	Very low	42.8	Very low	74 Å²	74	85.3 Å²	85.3	61%	0.612	46%	0.459	S	S	*	.	H	α-helix	trans	-48	-30.3	-173	0	0	0	0	0	114.9	Q805 F806 Q807	A803-Q805 VanDerWaalsContact C-N 3.29Å; A803-Q805 PolarHBondContact O-N 3.31Å; A803-F806 WeakPolarHBondContact O-CB 3.4Å; A803-F806 PolarHBondContact O-N 2.85Å; A803-Q807 PolarHBondContact O-N 2.84Å
804	A	30.6	Very low	39.9	Very low	67 Å²	67	88.3 Å²	88.3	55%	0.554	49%	0.491	S	S	*	.	H	α-helix	trans	-56.8	-33.7	176.7	0	0	0	0	0	114.4	S802 A808	S802-A804 PolarHBondContact O-N 2.89Å; A804-A808 PolarHBondContact O-N 2.87Å; A804-A808 VanDerWaalsContact O-N 3.11Å
805	Q	32.8	Very low	37.3	Very low	103 Å²	103	94 Å²	94	48%	0.481	52%	0.52	S	S	.	.	H	α-helix	trans	-80.5	-25.8	175.6	-70.7	-170.3	-6.4	0	0	112.7	R801 S802 A803 A809	R801-Q805 VanDerWaalsContact CD-OE1 3.27Å; S802-Q805 PolarHBondContact O-N 2.86Å; A803-Q805 VanDerWaalsContact C-N 3.29Å; A803-Q805 PolarHBondContact O-N 3.31Å; Q805-A809 PolarHBondContact O-N 3.35Å
806	F	30.7	Very low	35	Very low	100 Å²	100	101.1 Å²	101.1	44%	0.439	56%	0.558	S	S	.	*	H	α-helix	trans	-72.2	-41.7	173.1	-131.6	-86.6	0	0	0	110.8	A803 A809 Q810	A803-F806 WeakPolarHBondContact O-CB 3.4Å; A803-F806 PolarHBondContact O-N 2.85Å; F806-A809 PolarHBondContact O-N 2.89Å; F806-Q810 PolarHBondContact O-N 2.8Å; F806-Q810 VanDerWaalsContact O-N 3.14Å
807	Q	30	Very low	33.2	Very low	122 Å²	122	112.6 Å²	112.6	57%	0.57	60%	0.6	S	S	*	*	H	α-helix	trans	-60.2	-46.9	169.7	-87.7	177.5	-32.9	0	0	111.4	A803 A809 Q810 T811	A803-Q807 PolarHBondContact O-N 2.84Å; Q807-A809 PolarHBondContact O-N 2.75Å; Q807-A809 VanDerWaalsContact O-N 3.16Å; Q807-Q810 CarbonylContact O-C 3.53Å; Q807-Q810 WeakPolarHBondContact O-CA 3.39Å; Q807-Q810 PolarHBondContact O-N 2.8Å; Q807-T811 PolarHBondContact O-N 2.86Å; Q807-T811 PolarHBondContact O-OG1 3.18Å
808	A	32.4	Very low	31.6	Very low	57 Å²	57	116.7 Å²	116.7	47%	0.471	63%	0.629	S	S	.	*	H	α-helix	trans	-56	-36.1	176.7	0	0	0	0	0	113.3	A804 Q810 F812	A804-A808 PolarHBondContact O-N 2.87Å; A804-A808 VanDerWaalsContact O-N 3.11Å; A808-Q810 VanDerWaalsContact C-N 3.34Å; A808-F812 PolarHBondContact O-N 2.86Å
809	A	31.3	Very low	30.3	Very low	63 Å²	63	117.4 Å²	117.4	52%	0.521	65%	0.652	S	S	.	*	H	α-helix	trans	-74.8	-17.4	175.2	0	0	0	0	0	114.3	Q805 F806 Q807 F813	Q805-A809 PolarHBondContact O-N 3.35Å; F806-A809 PolarHBondContact O-N 2.89Å; Q807-A809 PolarHBondContact O-N 2.75Å; Q807-A809 VanDerWaalsContact O-N 3.16Å; A809-F813 VanDerWaalsContact O-CD2 3.23Å; A809-F813 WeakPolarHBondContact O-CD2 3.42Å
810	Q	33.6	Very low	29.5	Very low	124 Å²	124	119.3 Å²	119.3	58%	0.579	67%	0.67	S	S	*	*	H	α-helix	trans	-95.8	-38.4	174.1	-71.4	177.3	-23.1	0	0	112.2	F806 Q807 A808 F812 F813	F806-Q810 PolarHBondContact O-N 2.8Å; F806-Q810 VanDerWaalsContact O-N 3.14Å; Q807-Q810 CarbonylContact O-C 3.53Å; Q807-Q810 WeakPolarHBondContact O-CA 3.39Å; Q807-Q810 PolarHBondContact O-N 2.8Å; A808-Q810 VanDerWaalsContact C-N 3.34Å; Q810-F812 VanDerWaalsContact C-N 3.31Å; Q810-F812 PolarHBondContact O-N 2.89Å; Q810-F813 PolarHBondContact O-N 2.95Å; Q810-F813 VanDerWaalsContact O-N 3.16Å
811	T	32	Very low	29.3	Very low	95 Å²	95	113.7 Å²	113.7	58%	0.583	66%	0.664	S	S	*	*	H	α-helix	trans	-70.4	-25.9	-177.4	-43.6	0	0	0	0	112.4	Q807 F813 G814	Q807-T811 PolarHBondContact O-N 2.86Å; Q807-T811 PolarHBondContact O-OG1 3.18Å; T811-F813 PolarHBondContact O-N 2.87Å; T811-G814 PolarHBondContact O-N 3.24Å
812	F	30.4	Very low	28.9	Very low	181 Å²	181	118.5 Å²	118.5	79%	0.794	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-16.1	172.6	-113.9	-89.5	0	0	0	114.3	A808 Q810	A808-F812 PolarHBondContact O-N 2.86Å; Q810-F812 VanDerWaalsContact C-N 3.31Å; Q810-F812 PolarHBondContact O-N 2.89Å
813	F	32.2	Very low	28.8	Very low	163 Å²	163	121.1 Å²	121.1	72%	0.715	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	0.6	175	-71.4	-93.4	0	0	0	113.1	A809 Q810 T811	A809-F813 VanDerWaalsContact O-CD2 3.23Å; A809-F813 WeakPolarHBondContact O-CD2 3.42Å; Q810-F813 PolarHBondContact O-N 2.95Å; Q810-F813 VanDerWaalsContact O-N 3.16Å; T811-F813 PolarHBondContact O-N 2.87Å
814	G	26.9	Very low	28.6	Very low	65 Å²	65	123.5 Å²	123.5	67%	0.67	69%	0.691	S	S	*	*	S	Bend	trans	-85.5	-0.6	-179.5	0	0	0	0	0	115.6	T811	T811-G814 PolarHBondContact O-N 3.24Å
815	I	26.5	Very low	28.3	Very low	137 Å²	137	130.6 Å²	130.6	70%	0.703	71%	0.71	S	S	*	*	S	Bend	trans	-125.3	79.3	-172.1	-49	176.8	0	0	0	110
816	N	26.2	Very low	27.9	Very low	151 Å²	151	135.9 Å²	135.9	81%	0.807	73%	0.726	S	S	*	*	S	Bend	trans	163.4	80.3	148.1	-86	-29.4	0	0	0	111.2
817	R	27.3	Very low	27.5	Very low	248 Å²	248	137.3 Å²	137.3	94%	0.936	74%	0.742	S	S	*	*			trans	-167.2	76.1	154	-106.7	167.4	-158.1	-163.4	8.3	109.5	G819	R817-G819 PolarHBondContact O-N 2.69Å
818	S	25.1	Very low	27.3	Very low	133 Å²	133	141.5 Å²	141.5	93%	0.93	76%	0.759	S	S	*	*			trans	-68.7	106	164.3	50.3	0	0	0	0	109
819	G	27.1	Very low	26.9	Very low	72 Å²	72	145 Å²	145	74%	0.742	77%	0.77	S	S	*	*			trans	-164.2	106.9	179.8	0	0	0	0	0	110.5	R817	R817-G819 PolarHBondContact O-N 2.69Å
820	S	25.1	Very low	26.5	Very low	132 Å²	132	151.6 Å²	151.6	92%	0.923	78%	0.781	S	S	*	*			trans	-66.5	128.1	179.7	51.2	0	0	0	0	111.8
821	G	26.9	Very low	26.2	Very low	75 Å²	75	153.7 Å²	153.7	77%	0.773	79%	0.791	S	S	*	*			trans	-176.2	91.6	173.5	0	0	0	0	0	112.5
822	R	23.5	Very low	25.8	Very low	239 Å²	239	155.1 Å²	155.1	90%	0.902	80%	0.795	S	S	*	*			trans	-72.2	128.6	159.1	-74.2	177.8	172	161.9	-3.8	107.8
823	N	25.9	Very low	25.6	Very low	142 Å²	142	157.5 Å²	157.5	76%	0.759	80%	0.8	S	S	*	*				172.9	145.1	119.3	-84.4	-8.5	0	0	0	111.7
824	D	23.6	Very low	25.1	Very low	125 Å²	125	155.2 Å²	155.2	67%	0.668	80%	0.804	S	S	*	*			trans	11.8	127.3	151.2	-54.5	-20.5	0	0	0	119.3
825	F	25.1	Very low	25	Very low	216 Å²	216	159.4 Å²	159.4	95%	0.947	81%	0.811	S	S	*	*				-143	149.3	126.4	-101	-70.5	0	0	0	111.9
826	R	23.8	Very low	24.9	Very low	214 Å²	214	157.7 Å²	157.7	81%	0.808	81%	0.808	S	S	*	*			trans	-91.3	154.7	-155.4	-68	172.2	176.1	167.5	-2.4	114.1	F828	R826-F828 PolarHBondContact O-N 3.4Å
827	V	23.3	Very low	24.8	Very low	130 Å²	130	158.5 Å²	158.5	79%	0.788	81%	0.811	S	S	*	*			trans	-39.5	130	156.7	178.6	0	0	0	0	111.5	D829	V827-D829 HydrophobicContact CG1-CB 4.28Å
828	F	24.6	Very low	24.7	Very low	210 Å²	210	153.5 Å²	153.5	92%	0.921	80%	0.803	S	S	*	*			trans	-117.3	125.2	153.7	-96.4	-83.8	0	0	0	108.5	R826	R826-F828 PolarHBondContact O-N 3.4Å
829	D	24.2	Very low	24.6	Very low	129 Å²	129	158.2 Å²	158.2	69%	0.69	80%	0.8	S	S	*	*			trans	-119.7	162.4	-178.7	-176	24	0	0	0	109.4	V827	V827-D829 HydrophobicContact CG1-CB 4.28Å
830	R	23.7	Very low	24.5	Very low	202 Å²	202	163.2 Å²	163.2	76%	0.762	81%	0.809	S	S	*	*			trans	75.1	121.9	-178.2	-49.8	177.6	179.9	-174.8	-2.4	114.3
831	H	26.6	Very low	24.5	Very low	169 Å²	169	161.7 Å²	161.7	78%	0.782	80%	0.798	S	S	*	*				-145.9	158.4	54.5	-97.3	-61.8	0	0	0	116.6
832	D	22.9	Very low	24.4	Very low	125 Å²	125	164.3 Å²	164.3	67%	0.668	80%	0.799	S	S	*	*			trans	-49.2	127.7	-175.7	-51.8	-92.6	0	0	0	117
833	Y	26.6	Very low	24.4	Very low	230 Å²	230	159.2 Å²	159.2	90%	0.902	80%	0.795	S	S	*	*			trans	-148.5	98	137.9	-88.8	-66.9	0	0	0	110.6
834	S	22.4	Very low	24.4	Very low	115 Å²	115	160.7 Å²	160.7	80%	0.804	79%	0.794	S	S	*	*			trans	-77.4	120.2	171.5	48.3	0	0	0	0	110.9
835	L	25.5	Very low	24.5	Very low	154 Å²	154	163.9 Å²	163.9	81%	0.806	81%	0.807	S	S	*	*			trans	-135.3	145.7	166.5	-78.2	178.8	0	0	0	110.7
836	P	23.5	Very low	24.6	Very low	100 Å²	100	160.7 Å²	160.7	65%	0.649	80%	0.8	S	S	*	*			trans	-85	137.5	-152.3	30.9	-35.9	0	0	0	114.5	N838	P836-N838 PolarHBondContact O-N 2.99Å
837	I	23.3	Very low	24.8	Very low	168 Å²	168	155 Å²	155	86%	0.862	80%	0.799	S	S	*	*			trans	-66.7	91.3	169.3	-57.5	170.7	0	0	0	109.3	R839	I837-R839 PolarHBondContact O-N 3.43Å
838	N	26.2	Very low	25	Very low	143 Å²	143	158.2 Å²	158.2	77%	0.765	80%	0.802	S	S	*	*			trans	-92.2	92.4	173.4	-98.7	-35.1	0	0	0	111.5	P836 L840	P836-N838 PolarHBondContact O-N 2.99Å; N838-L840 PolarHBondContact O-N 3.03Å
839	R	22.6	Very low	25.2	Very low	233 Å²	233	154.1 Å²	154.1	88%	0.879	80%	0.797	S	S	*	*			trans	-1.1	99.5	160.3	-62.1	179.2	179.9	-169.3	-0.5	115.7	I837	I837-R839 PolarHBondContact O-N 3.43Å
840	L	26.1	Very low	25.3	Very low	176 Å²	176	157 Å²	157	92%	0.921	81%	0.806	S	S	*	*			trans	-77.7	114.5	146	-88.1	163.3	0	0	0	107.5	N838 T842	N838-L840 PolarHBondContact O-N 3.03Å; L840-T842 PolarHBondContact O-N 3.4Å
841	S	24.3	Very low	25.8	Very low	100 Å²	100	153.9 Å²	153.9	70%	0.699	81%	0.809	S	S	*	*			trans	-59.9	119.4	-179.7	53.3	0	0	0	0	111.3	V843	S841-V843 PolarHBondContact O-N 3.07Å
842	T	24	Very low	26	Very low	131 Å²	131	151.9 Å²	151.9	80%	0.804	81%	0.811	S	S	*	*			trans	-57.7	106	160.7	24	0	0	0	0	109.7	L840 K844	L840-T842 PolarHBondContact O-N 3.4Å; T842-K844 PolarHBondContact O-N 3.01Å; T842-K844 VanDerWaalsContact O-N 3.07Å
843	V	25.2	Very low	26.3	Very low	132 Å²	132	150.3 Å²	150.3	80%	0.8	82%	0.815	S	S	*	*			trans	-71.6	100.1	162	178.5	0	0	0	0	106.3	S841 M845	S841-V843 PolarHBondContact O-N 3.07Å; V843-M845 PolarHBondContact O-N 2.76Å
844	K	25.1	Very low	26.6	Very low	173 Å²	173	146.5 Å²	146.5	75%	0.752	82%	0.817	S	S	*	*			trans	-55.3	130.6	172.1	-73	-179.7	173.5	-178	0	108.9	T842 D846	T842-K844 PolarHBondContact O-N 3.01Å; T842-K844 VanDerWaalsContact O-N 3.07Å; K844-D846 PolarHBondContact O-N 3.2Å
845	M	25	Very low	27	Very low	191 Å²	191	144.4 Å²	144.4	94%	0.941	81%	0.813	S	S	*	*			trans	-74.8	107.5	158.9	-78.5	-171.6	159.9	0	0	107.4	V843 A847	V843-M845 PolarHBondContact O-N 2.76Å; M845-A847 PolarHBondContact O-N 3.5Å
846	D	27.2	Very low	27.1	Very low	149 Å²	149	148.8 Å²	148.8	80%	0.797	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-65.7	125	175.1	-76.8	-39.8	0	0	0	110.4	K844	K844-D846 PolarHBondContact O-N 3.2Å
847	A	28.1	Very low	27.3	Very low	95 Å²	95	149.2 Å²	149.2	79%	0.785	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-69.4	136.1	178.2	0	0	0	0	0	110.7	M845	M845-A847 PolarHBondContact O-N 3.5Å
848	K	27	Very low	27.6	Very low	197 Å²	197	149.3 Å²	149.3	86%	0.857	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-72.6	133.3	165.7	-74.4	-176.9	174.6	-177.8	0	109.5
849	P	29.7	Very low	27.6	Very low	124 Å²	124	152 Å²	152	81%	0.805	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-69.8	146.6	167.2	29.7	-32.6	0	0	0	110.6
850	Q	27.3	Very low	27.6	Very low	191 Å²	191	152 Å²	152	89%	0.893	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-76.5	148.5	177.3	-64.4	177	-15.9	0	0	111.4
851	V	33	Very low	27.6	Very low	135 Å²	135	149 Å²	149	82%	0.818	81%	0.811	S	S	*	*			trans	-134.4	132.7	157.7	-178.6	0	0	0	0	106.8
852	P	30.6	Very low	27.6	Very low	127 Å²	127	151.1 Å²	151.1	83%	0.825	81%	0.814	S	S	*	*			trans	-84.1	172.9	-164	33	-36.3	0	0	0	115
853	A	29.5	Very low	27.6	Very low	92 Å²	92	149.7 Å²	149.7	76%	0.76	81%	0.81	S	S	*	*			trans	-80.4	161.9	-164.8	0	0	0	0	0	116.2
854	T	33.5	Very low	27.7	Very low	151 Å²	151	148.4 Å²	148.4	93%	0.926	81%	0.807	S	S	*	*			trans	-170.9	147.4	135.8	16.6	0	0	0	0	111.9
855	G	30.7	Very low	27.8	Very low	71 Å²	71	151.4 Å²	151.4	73%	0.732	81%	0.813	S	S	*	*			trans	82.9	108	169	0	0	0	0	0	116.5
856	R	27.6	Very low	27.9	Very low	245 Å²	245	151.8 Å²	151.8	93%	0.925	81%	0.81	S	S	*	*				50.7	127.1	68.3	-81.7	-172.5	178	175.7	-0.5	113.3
857	T	27.4	Very low	27.8	Very low	109 Å²	109	153.2 Å²	153.2	67%	0.669	81%	0.809	S	S	*	*			cis	-162.3	163.4	4.2	-16.7	0	0	0	0	112.9
858	Q	28.7	Very low	27.6	Very low	171 Å²	171	156.1 Å²	156.1	80%	0.799	81%	0.806	S	S	*	*			trans	59.8	109.7	149.2	-84.3	159.5	-44.8	0	0	123.7
859	K	26.6	Very low	27.5	Very low	198 Å²	198	153.5 Å²	153.5	86%	0.861	80%	0.802	S	S	*	*			trans	6	123.8	132.4	-65.8	175	173.9	175.7	0	118.7
860	R	23.5	Very low	27.1	Very low	233 Å²	233	159.8 Å²	159.8	88%	0.879	81%	0.809	S	S	*	*				-179.9	173.1	105.2	-113.5	177.8	162.3	166.4	-6.7	113.7
861	T	25.5	Very low	27	Very low	115 Å²	115	160 Å²	160	71%	0.706	81%	0.807	S	S	*	*			trans	66.4	121	161.1	50.5	0	0	0	0	121.8
862	D	24.4	Very low	26.6	Very low	143 Å²	143	160.1 Å²	160.1	77%	0.765	81%	0.808	S	S	*	*				50.8	131.5	126.8	-65.9	-57.5	0	0	0	125
863	S	24.8	Very low	26.3	Very low	101 Å²	101	157.2 Å²	157.2	71%	0.706	80%	0.801	S	S	*	*			trans	75	119.8	135.4	75.5	0	0	0	0	121.2
864	S	26.6	Very low	26	Very low	106 Å²	106	160 Å²	160	74%	0.741	80%	0.802	S	S	*	*			trans	73.7	132.5	140.1	80.4	0	0	0	0	121
865	R	26.9	Very low	25.7	Very low	236 Å²	236	157.6 Å²	157.6	89%	0.891	79%	0.789	S	S	*	*			trans	50.6	99.9	153	-70.1	179.4	167.3	176	-3.2	119
866	K	26.7	Very low	25.6	Very low	199 Å²	199	159 Å²	159	87%	0.865	79%	0.786	S	S	*	*				-164.5	120.7	122.3	-98.2	148.4	-173.2	-179	0	107.7
867	K	25.6	Very low	26.3	Very low	178 Å²	178	151.8 Å²	151.8	77%	0.774	77%	0.769	S	S	*	*				60.9	107.1	94.9	-92.9	-168	173.6	-170.3	0	112.8
868	E	24.4	Very low	27.8	Very low	156 Å²	156	153 Å²	153	73%	0.729	76%	0.762	S	S	*	*				153.3	147.8	117.3	-88.2	151.1	-145.3	0	0	115
869	N	23.7	Very low	29.6	Very low	143 Å²	143	147.5 Å²	147.5	77%	0.765	74%	0.741	S	S	*	*			trans	65.5	71.7	158.7	-58.4	-26.3	0	0	0	119.9	K871	N869-K871 VanDerWaalsContact C-N 3.33Å; N869-K871 PolarHBondContact O-N 2.92Å
870	W	23.3	Very low	31.9	Very low	256 Å²	256	138.2 Å²	138.2	97%	0.97	70%	0.701	S	S	*	*			trans	-68.6	87	152	-74.3	91.6	0	0	0	111	V872	W870-V872 PolarHBondContact O-N 2.76Å
871	K	24.6	Very low	34.5	Very low	196 Å²	196	129.3 Å²	129.3	85%	0.852	67%	0.67	S	S	*	*			trans	-71.3	119.5	157.3	-82.5	-174.1	174.4	-179.5	0	108.2	N869 G873	N869-K871 VanDerWaalsContact C-N 3.33Å; N869-K871 PolarHBondContact O-N 2.92Å; K871-G873 PolarHBondContact O-N 3.26Å
872	V	24.8	Very low	37.3	Very low	136 Å²	136	123.9 Å²	123.9	82%	0.824	64%	0.637	S	S	*	*			trans	-66.2	103.6	176.4	178.5	0	0	0	0	108.9	W870 I874	W870-V872 PolarHBondContact O-N 2.76Å; V872-I874 PolarHBondContact O-N 2.89Å
873	G	24.5	Very low	40.2	Very low	66 Å²	66	117.1 Å²	117.1	68%	0.68	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-66	123.6	172.8	0	0	0	0	0	110.6	K871	K871-G873 PolarHBondContact O-N 3.26Å
874	I	23.3	Very low	43.3	Very low	151 Å²	151	112.3 Å²	112.3	77%	0.774	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-73	127	173.1	-59.3	171.2	0	0	0	107.5	V872 C876	V872-I874 PolarHBondContact O-N 2.89Å; I874-C876 PolarHBondContact O-N 3.2Å
875	P	26.1	Very low	46.4	Very low	101 Å²	101	107.3 Å²	107.3	66%	0.656	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-63.2	120.9	176.3	-19.5	31.4	0	0	0	110.4	T877	P875-T877 PolarHBondContact O-N 3.41Å
876	C	28.1	Very low	49.5	Very low	101 Å²	101	98.2 Å²	98.2	68%	0.682	50%	0.5	S	S	*	.			trans	-70.8	85.8	179.6	-78.6	0	0	0	0	111.4	I874 R878	I874-C876 PolarHBondContact O-N 3.2Å; C876-R878 PolarHBondContact O-N 3.28Å; C876-R878 VanDerWaalsContact O-N 3.14Å
877	T	43.1	Very low	52.7	Low	93 Å²	93	89.3 Å²	89.3	57%	0.571	46%	0.461	S	S	*	.			trans	-67.9	108.7	177	58.5	0	0	0	0	110.9	P875	P875-T877 PolarHBondContact O-N 3.41Å
878	R	59.7	Low	55.8	Low	135 Å²	135	84.6 Å²	84.6	51%	0.509	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-84.4	122.6	172.6	-59.6	-173.7	-171	176.8	3.5	109.8	C796 C876 D910	C796-R878 VanDerWaalsContact SG-CD 3.57Å; C876-R878 PolarHBondContact O-N 3.28Å; C876-R878 VanDerWaalsContact O-N 3.14Å; R878-D910 PolarHBondContact O-N 3.41Å
879	P	65.4	Low	59.1	Low	54 Å²	54	83 Å²	83	35%	0.351	43%	0.432	S	S	.	.	B	Isolated β-bridge	trans	-72.7	149	171.5	31.3	-33.3	0	0	0	110.3	A907	P879-A907 HydrophobicContact CB-CB 4.22Å
880	V	75.1	Confident	62.4	Low	4 Å²	4	76.2 Å²	76.2	2%	0.024	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-64.4	131.1	168.7	168.2	0	0	0	0	110.1	L794 P908	L794-V880 HydrophobicContact CB-CG1 3.72Å; L794-V880 HydrophobicContact CD1-CG1 4.48Å; L794-V880 HydrophobicContact CD2-CG1 3.94Å; L794-V880 HydrophobicContact CG-CG1 4.24Å; V880-P908 HydrophobicContact CB-CG 4.2Å; V880-P908 HydrophobicContact CG2-CG 4.18Å; V880-P908 WeakPolarHBondContact CG2-O 3.12Å; V880-P908 PolarHBondContact N-O 3.13Å
881	N	78.2	Confident	65.7	Low	45 Å²	45	68 Å²	68	24%	0.241	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	148.3	164.3	-80.4	-2	0	0	0	110.2	S795 Y883	S795-N881 PolarHBondContact N-O 3.38Å; S795-N881 VanDerWaalsContact N-O 3.17Å; S795-N881 WeakPolarHBondContact O-CA 3.5Å; S795-N881 WeakPolarHBondContact O-CB 3.49Å; S795-N881 PolarHBondContact O-N 3Å; N881-Y883 HydrophobicContact CB-CD2 4.12Å; N881-Y883 HydrophobicContact CB-CE2 3.51Å
882	V	84.1	Confident	68.9	Low	1 Å²	1	62.4 Å²	62.4	1%	0.006	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	122.4	171.9	-177.2	0	0	0	0	107.3	W543 I792 L794 V901 L958	W543-V882 HydrophobicContact CZ2-CG2 3.7Å; I792-V882 HydrophobicContact CG2-CG1 3.53Å; L794-V882 HydrophobicContact CD2-CB 4.4Å; L794-V882 HydrophobicContact CD2-CG1 4.45Å; L794-V882 HydrophobicContact CD2-CG2 3.88Å; V882-V901 HydrophobicContact CB-CB 3.97Å; V882-V901 HydrophobicContact CG1-CB 3.83Å; V882-V901 HydrophobicContact CG1-CG1 4.27Å; V882-V901 HydrophobicContact CG1-CG2 4.16Å; V882-V901 PolarHBondContact O-N 2.76Å; V882-L958 HydrophobicContact CG1-CD2 4.3Å; V882-L958 HydrophobicContact CG2-CD2 3.73Å
883	Y	86	Confident	72.1	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.008	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	135.7	176.4	-69.2	-94.6	0	0	0	109.3	P777 I792 F793 P797 N881 I900	P777-Y883 HydrophobicContact CB-CD1 3.61Å; P777-Y883 HydrophobicContact CB-CD2 3.83Å; P777-Y883 HydrophobicContact CB-CE1 3.77Å; P777-Y883 HydrophobicContact CB-CE2 4Å; P777-Y883 HydrophobicContact CB-CG 3.63Å; P777-Y883 HydrophobicContact CG-CD1 4.02Å; P777-Y883 HydrophobicContact CG-CE1 4.4Å; P777-Y883 HydrophobicContact CG-CG 4.29Å; I792-Y883 WeakPolarHBondContact CA-O 3.38Å; F793-Y883 PolarHBondContact N-O 3.17Å; F793-Y883 PolarHBondContact O-N 2.84Å; P797-Y883 WeakPolarHBondContact CA-OH 3.3Å; N881-Y883 HydrophobicContact CB-CD2 4.12Å; N881-Y883 HydrophobicContact CB-CE2 3.51Å; Y883-I900 HydrophobicContact CD1-CG1 3.67Å; Y883-I900 HydrophobicContact CE1-CD1 3.85Å; Y883-I900 HydrophobicContact CE1-CG1 3.35Å
884	A	89.5	Confident	75.4	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	127.5	171.8	0	0	0	0	0	109.5	L538 K790 A791 I792 S899 V901	L538-A884 HydrophobicContact CD1-CB 3.81Å; K790-A884 HydrophobicContact CB-CB 4.49Å; A791-A884 WeakPolarHBondContact O-CA 3.5Å; I792-A884 HydrophobicContact CD1-CB 3.91Å; A884-S899 PolarHBondContact N-O 2.85Å; A884-S899 PolarHBondContact O-N 2.8Å; A884-V901 HydrophobicContact CB-CG2 3.62Å
885	L	91.5	Very high	78.8	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	114.1	163.1	-176.3	65.5	0	0	0	107.3	V737 V750 K790 A791 F793 V896 W898	V737-L885 HydrophobicContact CG1-CD2 4.26Å; V737-L885 HydrophobicContact CG2-CD2 3.77Å; V750-L885 HydrophobicContact CG2-CD2 4.21Å; K790-L885 CarbonylContact C-O 3.55Å; K790-L885 VanDerWaalsContact CA-O 3.31Å; K790-L885 WeakPolarHBondContact CA-O 3.27Å; A791-L885 HydrophobicContact CB-CB 4.3Å; A791-L885 PolarHBondContact N-O 3.27Å; A791-L885 PolarHBondContact O-N 3.06Å; F793-L885 HydrophobicContact CD2-CB 4.48Å; F793-L885 HydrophobicContact CE2-CB 3.97Å; F793-L885 HydrophobicContact CE2-CD2 4.32Å; L885-V896 HydrophobicContact CD1-CB 3.64Å; L885-V896 HydrophobicContact CD1-CG1 4.48Å; L885-V896 HydrophobicContact CD1-CG2 3.74Å; L885-V896 HydrophobicContact CG-CB 4.14Å; L885-W898 HydrophobicContact CB-CD2 4.44Å; L885-W898 HydrophobicContact CB-CE3 4.04Å; L885-W898 HydrophobicContact CB-CH2 3.99Å; L885-W898 HydrophobicContact CB-CZ2 4.37Å; L885-W898 HydrophobicContact CB-CZ3 3.82Å; L885-W898 HydrophobicContact CD1-CD2 3.81Å; L885-W898 HydrophobicContact CD1-CE3 4.26Å; L885-W898 HydrophobicContact CD1-CG 4.17Å; L885-W898 HydrophobicContact CD1-CH2 4.4Å; L885-W898 HydrophobicContact CD1-CZ2 3.94Å; L885-W898 HydrophobicContact CD2-CH2 4.47Å; L885-W898 HydrophobicContact CD2-CZ2 4.33Å; L885-W898 HydrophobicContact CG-CZ2 4.46Å
886	H	92.5	Very high	82	Confident	45 Å²	45	51.7 Å²	51.7	21%	0.208	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	127.5	176	-61.2	-96	0	0	0	109.2	K790 V896 T897 S899	K790-H886 VanDerWaalsContact CE-CE1 3.49Å; K790-H886 WeakPolarHBondContact CE-CE1 3.34Å; K790-H886 WeakPolarHBondContact CE-ND1 3.48Å; H886-V896 WeakPolarHBondContact O-CA 3.47Å; H886-T897 PolarHBondContact CD2-O 2.91Å; H886-T897 PolarHBondContact N-O 2.94Å; H886-T897 PolarHBondContact O-N 3.07Å; H886-S899 PolarHBondContact NE2-OG 3.32Å
887	M	93.3	Very high	85	Confident	12 Å²	12	48 Å²	48	6%	0.059	24%	0.237	C	C	.	.			trans	-117.3	3	-173.6	-50.7	176.3	-58.3	0	0	112.5	V727 L729 L735 K786 D789 K790 A791 R889 V890	V727-M887 HydrophobicContact CG1-CE 4.32Å; V727-M887 HydrophobicContact CG1-SD 4.08Å; L729-M887 HydrophobicContact CD2-CB 3.87Å; L729-M887 HydrophobicContact CD2-CE 3.91Å; L729-M887 HydrophobicContact CD2-CG 4.26Å; L729-M887 HydrophobicContact CD2-SD 3.61Å; L735-M887 HydrophobicContact CD1-CG 3.94Å; L735-M887 HydrophobicContact CD1-SD 3.59Å; L735-M887 VanDerWaalsContact CD1-SD 3.59Å; K786-M887 HydrophobicContact CD-CE 4.36Å; K786-M887 HydrophobicContact CG-CE 4.1Å; D789-M887 WeakPolarHBondContact O-CA 3.17Å; D789-M887 VanDerWaalsContact O-CB 3.31Å; D789-M887 WeakPolarHBondContact O-CB 3.43Å; D789-M887 PolarHBondContact O-N 3.08Å; K790-M887 VanDerWaalsContact C-CE 3.47Å; A791-M887 HydrophobicContact CB-CE 4.04Å; A791-M887 HydrophobicContact CB-SD 3.61Å; M887-R889 PolarHBondContact O-N 3.28Å; M887-V890 HydrophobicContact CB-CG2 3.93Å; M887-V890 WeakPolarHBondContact O-CG2 3.31Å; M887-V890 PolarHBondContact O-N 2.79Å
888	D	91.4	Very high	87.2	Confident	79 Å²	79	43.7 Å²	43.7	42%	0.422	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-30.7	175.5	63.8	-50.2	0	0	0	112.9	D789	D789-D888 HydrophobicContact CB-CB 4.47Å
889	R	92.6	Very high	88.5	Confident	123 Å²	123	38.2 Å²	38.2	46%	0.464	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-1.5	-177.6	-55.7	-166.2	-176.2	-165	-3	115.2	M887 M891 S892 H893 R894 C895	M887-R889 PolarHBondContact O-N 3.28Å; R889-M891 PolarHBondContact O-N 3.4Å; R889-S892 PolarHBondContact O-N 2.72Å; R889-H893 HydrophobicContact CB-CB 4.27Å; R889-H893 PolarHBondContact O-N 3.08Å; R889-R894 PolarHBondContact O-N 2.95Å; R889-C895 CarbonylContact C-O 3.55Å
890	V	93	Very high	89.3	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58.3	-52.7	-177	173.9	0	0	0	0	110.8	L729 L735 L752 L767 M887 R894 C895 V896	L729-V890 HydrophobicContact CD1-CB 4.14Å; L729-V890 HydrophobicContact CD1-CG1 3.67Å; L729-V890 HydrophobicContact CD1-CG2 4.33Å; L735-V890 HydrophobicContact CD1-CG2 4.34Å; L735-V890 HydrophobicContact CD2-CG1 4.37Å; L752-V890 HydrophobicContact CD1-CG1 4.07Å; L752-V890 HydrophobicContact CD2-CG1 3.95Å; L767-V890 HydrophobicContact CD1-CB 4.34Å; L767-V890 HydrophobicContact CD1-CG1 3.71Å; L767-V890 HydrophobicContact CD1-CG2 3.9Å; M887-V890 HydrophobicContact CB-CG2 3.93Å; M887-V890 WeakPolarHBondContact O-CG2 3.31Å; M887-V890 PolarHBondContact O-N 2.79Å; V890-R894 VanDerWaalsContact O-CA 3.28Å; V890-R894 WeakPolarHBondContact O-CA 3.39Å; V890-R894 WeakPolarHBondContact O-CD 3.31Å; V890-R894 PolarHBondContact O-N 2.89Å; V890-R894 VanDerWaalsContact O-N 3.15Å; V890-C895 PolarHBondContact N-O 2.91Å; V890-V896 HydrophobicContact CG2-CG1 3.49Å; V890-V896 VanDerWaalsContact CG2-CG1 3.49Å
891	M	92.3	Very high	89.7	Confident	83 Å²	83	38.2 Å²	38.2	41%	0.409	19%	0.19	S	C	.	.	H	α-helix	trans	-77.5	-25.3	-174.6	-58.2	-51.1	-70.3	0	0	113.5	H733 L752 R889	H733-M891 WeakPolarHBondContact NE2-CE 3.32Å; L752-M891 HydrophobicContact CD2-SD 4.43Å; R889-M891 PolarHBondContact O-N 3.4Å
892	S	92.6	Very high	89.5	Confident	80 Å²	80	43.6 Å²	43.6	56%	0.559	22%	0.218	S	C	*	.	H	α-helix	trans	-96.5	-35.7	-173.3	54.3	0	0	0	0	114.3	R889	R889-S892 PolarHBondContact O-N 2.72Å
893	H	91.8	Very high	89	Confident	123 Å²	123	45.4 Å²	45.4	57%	0.569	23%	0.23	S	C	*	.	H	α-helix	trans	-128.6	3	-174.7	-60.5	75.3	0	0	0	113.5	R889 C895	R889-H893 HydrophobicContact CB-CB 4.27Å; R889-H893 PolarHBondContact O-N 3.08Å; H893-C895 PolarHBondContact O-N 2.93Å
894	R	94.4	Very high	87.9	Confident	93 Å²	93	47.1 Å²	47.1	35%	0.351	24%	0.243	S	C	.	.	S	Bend	trans	56	32.5	-179.3	-52.9	-59.5	174.9	161.3	-14.9	113.9	E765 L767 D768 R889 V890	E765-R894 VanDerWaalsContact OE1-CD 3.31Å; E765-R894 WeakPolarHBondContact OE1-CD 3.5Å; E765-R894 WeakPolarHBondContact OE1-CG 3.27Å; E765-R894 IonicContact OE1-NE 3.87Å; E765-R894 WeakPolarHBondContact OE2-CD 3.44Å; E765-R894 IonicContact OE2-CZ 3.5Å; E765-R894 IonicContact OE2-NE 3.69Å; E765-R894 IonicContact OE2-NH1 2.68Å; E765-R894 PolarHBondContact OE2-NH1 2.89Å; L767-R894 WeakPolarHBondContact CA-O 3.26Å; L767-R894 WeakPolarHBondContact CB-O 3.44Å; L767-R894 HydrophobicContact CD2-CB 4.25Å; D768-R894 PolarHBondContact N-O 3.03Å; D768-R894 VanDerWaalsContact N-O 3.1Å; R889-R894 PolarHBondContact O-N 2.95Å; V890-R894 VanDerWaalsContact O-CA 3.28Å; V890-R894 WeakPolarHBondContact O-CA 3.39Å; V890-R894 WeakPolarHBondContact O-CD 3.31Å; V890-R894 PolarHBondContact O-N 2.89Å; V890-R894 VanDerWaalsContact O-N 3.15Å
895	C	93.9	Very high	86.3	Confident	11 Å²	11	50.3 Å²	50.3	7%	0.074	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	163.8	-178.3	71.9	0	0	0	0	113.6	D768 F770 R889 V890 H893	D768-C895 HydrophobicContact CB-CB 3.91Å; D768-C895 CarbonylContact O-C 3.55Å; D768-C895 VanDerWaalsContact O-CA 3.23Å; D768-C895 WeakPolarHBondContact O-CA 3.49Å; D768-C895 WeakPolarHBondContact O-CB 3.35Å; F770-C895 HydrophobicContact CD2-CB 3.97Å; F770-C895 HydrophobicContact CE2-CB 3.65Å; R889-C895 CarbonylContact C-O 3.55Å; V890-C895 PolarHBondContact N-O 2.91Å; H893-C895 PolarHBondContact O-N 2.93Å
896	V	93.2	Very high	85	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.006	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	150.3	176.6	-67.7	0	0	0	0	110.3	V750 L767 D768 V769 F770 L885 H886 V890	V750-V896 HydrophobicContact CB-CG2 4.01Å; V750-V896 HydrophobicContact CG1-CG1 4.43Å; V750-V896 HydrophobicContact CG1-CG2 4.2Å; V750-V896 HydrophobicContact CG2-CG2 3.96Å; L767-V896 HydrophobicContact CD1-CG1 3.95Å; D768-V896 PolarHBondContact O-N 2.83Å; V769-V896 HydrophobicContact CB-CG2 4.4Å; V769-V896 HydrophobicContact CG1-CG2 4.43Å; V769-V896 HydrophobicContact CG2-CG2 3.94Å; F770-V896 PolarHBondContact N-O 2.86Å; L885-V896 HydrophobicContact CD1-CB 3.64Å; L885-V896 HydrophobicContact CD1-CG1 4.48Å; L885-V896 HydrophobicContact CD1-CG2 3.74Å; L885-V896 HydrophobicContact CG-CB 4.14Å; H886-V896 WeakPolarHBondContact O-CA 3.47Å; V890-V896 HydrophobicContact CG2-CG1 3.49Å; V890-V896 VanDerWaalsContact CG2-CG1 3.49Å
897	T	91	Very high	83.9	Confident	23 Å²	23	54.6 Å²	54.6	14%	0.141	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	133.7	-178.3	-55.4	0	0	0	0	111.1	F770 H886	F770-T897 HydrophobicContact CB-CG2 4.32Å; F770-T897 CarbonylContact O-C 3.56Å; F770-T897 WeakPolarHBondContact O-CA 3.37Å; H886-T897 PolarHBondContact CD2-O 2.91Å; H886-T897 PolarHBondContact N-O 2.94Å; H886-T897 PolarHBondContact O-N 3.07Å
898	W	89.3	Confident	82.9	Confident	3 Å²	3	54.2 Å²	54.2	1%	0.011	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	139	171.4	-72.9	103.5	0	0	0	112.6	V737 F770 N772 P777 L779 F793 L885	V737-W898 HydrophobicContact CG1-CH2 4.24Å; V737-W898 HydrophobicContact CG1-CZ2 3.98Å; F770-W898 PolarHBondContact O-N 2.73Å; N772-W898 PolarHBondContact N-O 2.9Å; P777-W898 HydrophobicContact CG-CD2 3.76Å; P777-W898 HydrophobicContact CG-CE3 3.67Å; P777-W898 HydrophobicContact CG-CG 4.48Å; P777-W898 HydrophobicContact CG-CH2 3.95Å; P777-W898 HydrophobicContact CG-CZ2 4.05Å; P777-W898 HydrophobicContact CG-CZ3 3.75Å; L779-W898 HydrophobicContact CD1-CH2 4.2Å; L779-W898 HydrophobicContact CD1-CZ2 3.91Å; L779-W898 HydrophobicContact CD2-CH2 3.77Å; L779-W898 HydrophobicContact CD2-CZ2 4.27Å; F793-W898 HydrophobicContact CB-CZ3 4.4Å; F793-W898 HydrophobicContact CD1-CH2 4.32Å; F793-W898 AromaticContact CD2-CH2 3.52Å; F793-W898 HydrophobicContact CD2-CH2 3.52Å; F793-W898 AromaticContact CD2-CZ3 3.55Å; F793-W898 HydrophobicContact CD2-CZ3 3.55Å; F793-W898 HydrophobicContact CE1-CH2 4.35Å; F793-W898 AromaticContact CE2-CH2 3.61Å; F793-W898 HydrophobicContact CE2-CH2 3.61Å; F793-W898 HydrophobicContact CE2-CZ3 4Å; F793-W898 AromaticContact CG-CH2 3.91Å; F793-W898 HydrophobicContact CG-CH2 3.91Å; F793-W898 HydrophobicContact CG-CZ3 4.06Å; F793-W898 HydrophobicContact CZ-CH2 4.04Å; L885-W898 HydrophobicContact CB-CD2 4.44Å; L885-W898 HydrophobicContact CB-CE3 4.04Å; L885-W898 HydrophobicContact CB-CH2 3.99Å; L885-W898 HydrophobicContact CB-CZ2 4.37Å; L885-W898 HydrophobicContact CB-CZ3 3.82Å; L885-W898 HydrophobicContact CD1-CD2 3.81Å; L885-W898 HydrophobicContact CD1-CE3 4.26Å; L885-W898 HydrophobicContact CD1-CG 4.17Å; L885-W898 HydrophobicContact CD1-CH2 4.4Å; L885-W898 HydrophobicContact CD1-CZ2 3.94Å; L885-W898 HydrophobicContact CD2-CH2 4.47Å; L885-W898 HydrophobicContact CD2-CZ2 4.33Å; L885-W898 HydrophobicContact CG-CZ2 4.46Å
899	S	87.1	Confident	81.8	Confident	21 Å²	21	54.8 Å²	54.8	15%	0.147	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	152.3	167.5	67.7	0	0	0	0	112	A884 H886	A884-S899 PolarHBondContact N-O 2.85Å; A884-S899 PolarHBondContact O-N 2.8Å; H886-S899 PolarHBondContact NE2-OG 3.32Å
900	I	83.1	Confident	80.3	Confident	44 Å²	44	50.1 Å²	50.1	23%	0.226	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	135.4	167.6	-69.6	166.5	0	0	0	109.9	E773 Y883	E773-I900 HydrophobicContact CB-CD1 4.38Å; E773-I900 HydrophobicContact CG-CB 4.41Å; E773-I900 HydrophobicContact CG-CD1 3.9Å; E773-I900 HydrophobicContact CG-CG1 4.01Å; Y883-I900 HydrophobicContact CD1-CG1 3.67Å; Y883-I900 HydrophobicContact CE1-CD1 3.85Å; Y883-I900 HydrophobicContact CE1-CG1 3.35Å
901	V	82.1	Confident	79	Confident	13 Å²	13	51.4 Å²	51.4	8%	0.079	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	114.6	176.7	-178.2	0	0	0	0	108.6	L538 L541 V882 A884 S903	L538-V901 HydrophobicContact CB-CG1 3.89Å; L538-V901 HydrophobicContact CD1-CG2 3.79Å; L541-V901 HydrophobicContact CD1-CG1 3.81Å; V882-V901 HydrophobicContact CB-CB 3.97Å; V882-V901 HydrophobicContact CG1-CB 3.83Å; V882-V901 HydrophobicContact CG1-CG1 4.27Å; V882-V901 HydrophobicContact CG1-CG2 4.16Å; V882-V901 PolarHBondContact O-N 2.76Å; A884-V901 HydrophobicContact CB-CG2 3.62Å; V901-S903 PolarHBondContact O-N 2.83Å
902	L	75	Confident	77.8	Confident	158 Å²	158	48.7 Å²	48.7	83%	0.827	27%	0.266	S	S	*	.			trans	-65.9	123.5	175	-63.7	177	0	0	0	109.9
903	S	73.7	Confident	76.5	Confident	39 Å²	39	45.5 Å²	45.5	27%	0.273	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-127.8	161.8	174.5	56.1	0	0	0	0	110.6	L541 W543 V901	L541-S903 WeakPolarHBondContact O-CA 3.45Å; W543-S903 PolarHBondContact NE1-OG 3.33Å; W543-S903 VanDerWaalsContact NE1-OG 3.08Å; V901-S903 PolarHBondContact O-N 2.83Å
904	S	62.8	Low	75.7	Confident	38 Å²	38	40.4 Å²	40.4	27%	0.266	22%	0.223	S	C	.	.			trans	-62.5	166	-175.9	71.9	0	0	0	0	113.8	L541 E542 W543	L541-S904 PolarHBondContact O-N 2.91Å; L541-S904 VanDerWaalsContact O-N 3.11Å; E542-S904 WeakPolarHBondContact CA-OG 3.47Å; W543-S904 PolarHBondContact N-OG 2.94Å; W543-S904 VanDerWaalsContact N-OG 3.12Å
905	S	55.6	Low	75.1	Confident	67 Å²	67	36 Å²	36	47%	0.469	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	158.7	156.3	56.6	0	0	0	0	110.3
906	H	63.8	Low	74.7	Confident	112 Å²	112	36 Å²	36	52%	0.519	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	7.7	-170.3	-47	81.4	0	0	0	116.5	W543	W543-H906 HydrophobicContact CB-CB 4.41Å; W543-H906 WeakPolarHBondContact CB-O 3.48Å
907	A	69.4	Low	74.4	Confident	24 Å²	24	36.5 Å²	36.5	20%	0.198	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-51	145.2	166.1	0	0	0	0	0	112.7	W543 P879	W543-A907 VanDerWaalsContact CD1-CA 3.49Å; W543-A907 HydrophobicContact CD2-CB 4.4Å; W543-A907 HydrophobicContact CG-CB 4.1Å; P879-A907 HydrophobicContact CB-CB 4.22Å
908	P	72.7	Confident	74.2	Confident	4 Å²	4	39.3 Å²	39.3	3%	0.026	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-59.6	157.7	174.4	24.5	-32.5	0	0	0	111.7	W543 V880 F956	W543-P908 HydrophobicContact CE3-CG 4.34Å; W543-P908 HydrophobicContact CH2-CG 3.97Å; W543-P908 HydrophobicContact CZ2-CG 4.35Å; W543-P908 HydrophobicContact CZ3-CG 3.96Å; V880-P908 HydrophobicContact CB-CG 4.2Å; V880-P908 HydrophobicContact CG2-CG 4.18Å; V880-P908 WeakPolarHBondContact CG2-O 3.12Å; V880-P908 PolarHBondContact N-O 3.13Å; P908-F956 HydrophobicContact CB-CD1 4.13Å; P908-F956 HydrophobicContact CB-CD2 3.9Å; P908-F956 HydrophobicContact CB-CE1 4.11Å; P908-F956 HydrophobicContact CB-CE2 3.88Å; P908-F956 HydrophobicContact CB-CG 4.03Å; P908-F956 HydrophobicContact CB-CZ 3.99Å; P908-F956 HydrophobicContact CG-CG 4.35Å
909	Q	68.5	Low	73.7	Confident	90 Å²	90	39.6 Å²	39.6	42%	0.421	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-67.7	153	167.3	-71.5	177.8	-26.9	0	0	109.9	T911 R930	Q909-T911 VanDerWaalsContact O-CG2 3.31Å; Q909-T911 WeakPolarHBondContact O-CG2 3.09Å; Q909-T911 PolarHBondContact O-N 3.2Å; Q909-T911 PolarHBondContact O-OG1 3.41Å; Q909-R930 HydrophobicContact CB-CG 4.32Å; Q909-R930 VanDerWaalsContact OE1-CD 3.23Å
910	D	62.3	Low	73.3	Confident	25 Å²	25	42.5 Å²	42.5	13%	0.134	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-52.1	118.4	-179.6	-161.2	18.7	0	0	0	112.4	C796 R878 F912 R930	C796-D910 WeakPolarHBondContact CB-OD2 3.46Å; R878-D910 PolarHBondContact O-N 3.41Å; D910-F912 WeakPolarHBondContact OD1-CE1 3.5Å; D910-F912 WeakPolarHBondContact OD1-CZ 3.04Å; D910-F912 WeakPolarHBondContact OD2-CZ 3.43Å; D910-R930 WeakPolarHBondContact O-CA 3.35Å
911	T	63.9	Low	73.1	Confident	28 Å²	28	41.2 Å²	41.2	17%	0.172	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	121.8	-169.3	44.6	0	0	0	0	112.1	Q909 V929 R930 V952	Q909-T911 VanDerWaalsContact O-CG2 3.31Å; Q909-T911 WeakPolarHBondContact O-CG2 3.09Å; Q909-T911 PolarHBondContact O-N 3.2Å; Q909-T911 PolarHBondContact O-OG1 3.41Å; T911-V929 WeakPolarHBondContact CA-O 3.42Å; T911-R930 HydrophobicContact CG2-CG 3.55Å; T911-V952 HydrophobicContact CG2-CG2 3.64Å
912	F	67.8	Low	73.3	Confident	25 Å²	25	40.7 Å²	40.7	11%	0.11	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	157	-179.3	-49.7	-63.1	0	0	0	112.1	W780 D910 G914 G928 V929	W780-F912 HydrophobicContact CB-CD1 3.6Å; W780-F912 HydrophobicContact CB-CE1 3.96Å; W780-F912 HydrophobicContact CB-CG 4.3Å; W780-F912 HydrophobicContact CD2-CE1 4.41Å; W780-F912 HydrophobicContact CE3-CD1 4.21Å; W780-F912 AromaticContact CE3-CE1 3.57Å; W780-F912 HydrophobicContact CE3-CE1 3.57Å; W780-F912 HydrophobicContact CE3-CE2 4.06Å; W780-F912 AromaticContact CE3-CZ 3.46Å; W780-F912 HydrophobicContact CE3-CZ 3.46Å; W780-F912 VanDerWaalsContact CE3-CZ 3.46Å; W780-F912 HydrophobicContact CZ3-CE1 4.44Å; W780-F912 HydrophobicContact CZ3-CE2 4.39Å; W780-F912 AromaticContact CZ3-CZ 3.91Å; W780-F912 HydrophobicContact CZ3-CZ 3.91Å; D910-F912 WeakPolarHBondContact OD1-CE1 3.5Å; D910-F912 WeakPolarHBondContact OD1-CZ 3.04Å; D910-F912 WeakPolarHBondContact OD2-CZ 3.43Å; F912-G914 PolarHBondContact O-N 3.44Å; F912-G928 CarbonylContact O-C 3.54Å; F912-G928 WeakPolarHBondContact O-CA 3.44Å; F912-V929 PolarHBondContact N-O 3.24Å; F912-V929 PolarHBondContact O-N 3.21Å
913	L	64.9	Low	74	Confident	14 Å²	14	33.2 Å²	33.2	7%	0.073	19%	0.186	C	C	.	.	S	Bend	trans	57.6	26.5	-179.2	-48.2	174.9	0	0	0	113.7	F561 A562 L723 F943	F561-L913 HydrophobicContact CB-CB 4.48Å; F561-L913 HydrophobicContact CD2-CD1 4.25Å; A562-L913 HydrophobicContact CB-CB 4.33Å; A562-L913 HydrophobicContact CB-CD1 4.36Å; A562-L913 PolarHBondContact N-O 2.7Å; L723-L913 HydrophobicContact CD2-CD2 3.89Å; L913-F943 HydrophobicContact CD1-CE1 3.92Å; L913-F943 HydrophobicContact CD1-CE2 4.02Å; L913-F943 HydrophobicContact CD1-CZ 3.61Å
914	G	75.5	Confident	74.7	Confident	15 Å²	15	31.5 Å²	31.5	16%	0.155	17%	0.174	C	C	.	.			trans	-84.1	-177.4	164.8	0	0	0	0	0	111.6	F912	F912-G914 PolarHBondContact O-N 3.44Å
915	S	82.3	Confident	76	Confident	2 Å²	2	30 Å²	30	1%	0.014	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	138	171.7	53.1	0	0	0	0	111.9	H563 V925 F926	H563-S915 WeakPolarHBondContact NE2-CB 3.19Å; H563-S915 PolarHBondContact NE2-OG 3.42Å; S915-V925 WeakPolarHBondContact O-CA 3.43Å; S915-F926 PolarHBondContact N-O 2.89Å; S915-F926 PolarHBondContact O-N 3.15Å; S915-F926 PolarHBondContact OG-O 3.35Å
916	V	85.3	Confident	77.5	Confident	9 Å²	9	27.1 Å²	27.1	6%	0.055	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	115.3	179.3	-174.3	0	0	0	0	107.8	Q783 C785 L794 I923	Q783-V916 HydrophobicContact CB-CB 4.41Å; Q783-V916 VanDerWaalsContact OE1-N 3.09Å; C785-V916 HydrophobicContact CB-CG1 4.41Å; L794-V916 HydrophobicContact CD1-CG1 4.09Å; L794-V916 HydrophobicContact CD1-CG2 3.67Å; L794-V916 HydrophobicContact CG-CG1 4.32Å; L794-V916 HydrophobicContact CG-CG2 4.14Å; V916-I923 HydrophobicContact CG1-CG2 3.6Å
917	I	86.3	Confident	78.5	Confident	13 Å²	13	21.9 Å²	21.9	7%	0.067	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	130.9	-166.3	-66.3	175.2	0	0	0	110.9	A565 I573 I923 V924	A565-I917 HydrophobicContact CB-CD1 3.86Å; I573-I917 HydrophobicContact CB-CD1 4.5Å; I573-I917 HydrophobicContact CD1-CB 3.96Å; I573-I917 HydrophobicContact CD1-CD1 4.11Å; I573-I917 HydrophobicContact CD1-CG2 3.83Å; I573-I917 HydrophobicContact CG1-CD1 4.19Å; I573-I917 HydrophobicContact CG1-CG2 3.97Å; I573-I917 HydrophobicContact CG2-CD1 3.58Å; I917-I923 WeakPolarHBondContact O-CA 3.28Å; I917-V924 PolarHBondContact N-O 3.2Å; I917-V924 PolarHBondContact O-N 3.21Å
918	E	86.1	Confident	78.9	Confident	82 Å²	82	20.8 Å²	20.8	38%	0.383	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	133.9	171.1	-166.6	-166.9	-161.9	0	0	110.7	F535 C785 V787	F535-E918 HydrophobicContact CE1-CG 4.23Å; C785-E918 HydrophobicContact CB-CB 4.25Å; V787-E918 HydrophobicContact CG2-CG 4.36Å
919	G	80.5	Confident	78.8	Confident	8 Å²	8	21.2 Å²	21.2	8%	0.082	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	-168.7	167.9	0	0	0	0	0	111.7	Y507 G921 E922	Y507-G919 VanDerWaalsContact OH-CA 3.25Å; Y507-G919 WeakPolarHBondContact OH-CA 3.38Å; G919-G921 VanDerWaalsContact C-N 3.27Å; G919-G921 PolarHBondContact O-N 3.48Å; G919-E922 WeakPolarHBondContact CA-O 3.44Å; G919-E922 PolarHBondContact N-O 2.82Å
920	R	78.5	Confident	78.9	Confident	82 Å²	82	20.5 Å²	20.5	31%	0.309	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	72.1	-177.9	-170.8	168.1	170.5	-159.2	12.3	111.6	P506 Y507 D511	P506-R920 HydrophobicContact CB-CB 4.39Å; P506-R920 HydrophobicContact CB-CG 4.34Å; P506-R920 VanDerWaalsContact CB-O 3.26Å; P506-R920 WeakPolarHBondContact CB-O 3.47Å; P506-R920 HydrophobicContact CG-CB 4.43Å; P506-R920 WeakPolarHBondContact CG-O 3.1Å; P506-R920 WeakPolarHBondContact O-CD 3.47Å; P506-R920 PolarHBondContact O-NE 2.8Å; P506-R920 PolarHBondContact O-NH1 2.93Å; Y507-R920 HydrophobicContact CD1-CB 4.01Å; Y507-R920 HydrophobicContact CE1-CB 3.54Å; Y507-R920 PolarHBondContact OH-N 3.22Å; D511-R920 VanDerWaalsContact CG-NH1 3.26Å; D511-R920 IonicContact OD1-CZ 2.91Å; D511-R920 IonicContact OD1-NH1 3.59Å; D511-R920 PolarHBondContact OD1-NH1 2.73Å; D511-R920 IonicContact OD1-NH2 2.79Å; D511-R920 PolarHBondContact OD1-NH2 3.01Å; D511-R920 IonicContact OD2-NH1 3.87Å; D511-R920 PolarHBondContact OD2-NH1 3.07Å
921	G	78.6	Confident	78.9	Confident	17 Å²	17	23.2 Å²	23.2	18%	0.175	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.9	24.1	-178.7	0	0	0	0	0	114.7	F535 G919	F535-G921 VanDerWaalsContact CD2-C 3.47Å; F535-G921 VanDerWaalsContact CD2-O 3.31Å; F535-G921 WeakPolarHBondContact CD2-O 3.33Å; G919-G921 VanDerWaalsContact C-N 3.27Å; G919-G921 PolarHBondContact O-N 3.48Å
922	E	85.9	Confident	78.4	Confident	2 Å²	2	26.5 Å²	26.5	1%	0.009	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	157.4	-178.8	61.2	-178.4	-161.7	0	0	110.7	Y507 F535 R597 G919 V924 V957 L958 K959	Y507-E922 VanDerWaalsContact CE2-OE1 3.27Å; Y507-E922 WeakPolarHBondContact CE2-OE1 3.23Å; Y507-E922 PolarHBondContact OH-OE1 2.75Å; F535-E922 VanDerWaalsContact CE2-C 3.5Å; F535-E922 WeakPolarHBondContact CZ-O 3.45Å; R597-E922 IonicContact CZ-OE1 3.98Å; R597-E922 IonicContact CZ-OE2 2.66Å; R597-E922 IonicContact NH1-OE1 3.65Å; R597-E922 PolarHBondContact NH1-OE1 2.76Å; R597-E922 IonicContact NH1-OE2 2.72Å; R597-E922 PolarHBondContact NH1-OE2 2.96Å; R597-E922 VanDerWaalsContact NH2-CD 3.34Å; R597-E922 IonicContact NH2-OE1 2.87Å; R597-E922 PolarHBondContact NH2-OE1 2.92Å; R597-E922 VanDerWaalsContact NH2-OE1 3.16Å; R597-E922 IonicContact NH2-OE2 3.51Å; R597-E922 PolarHBondContact NH2-OE2 2.85Å; G919-E922 WeakPolarHBondContact CA-O 3.44Å; G919-E922 PolarHBondContact N-O 2.82Å; E922-V924 HydrophobicContact CG-CG2 4.35Å; E922-V957 HydrophobicContact CB-CG1 3.89Å; E922-V957 HydrophobicContact CG-CG1 4.35Å; E922-V957 WeakPolarHBondContact OE2-CG1 3.47Å; E922-L958 CarbonylContact C-O 3.57Å; E922-L958 WeakPolarHBondContact CA-O 3.42Å; E922-K959 HydrophobicContact CB-CB 3.84Å
923	I	89.1	Confident	77.6	Confident	1 Å²	1	26.3 Å²	26.3	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	132.5	168.6	-53.5	177	0	0	0	107.9	F535 V787 I792 V916 I917 V925 V957 L958	F535-I923 HydrophobicContact CE2-CG1 3.84Å; F535-I923 HydrophobicContact CZ-CD1 4.47Å; F535-I923 HydrophobicContact CZ-CG1 3.65Å; V787-I923 HydrophobicContact CG2-CD1 4.15Å; V787-I923 HydrophobicContact CG2-CG1 4.31Å; I792-I923 HydrophobicContact CB-CD1 4.01Å; I792-I923 HydrophobicContact CG1-CD1 3.98Å; I792-I923 HydrophobicContact CG2-CD1 3.71Å; V916-I923 HydrophobicContact CG1-CG2 3.6Å; I917-I923 WeakPolarHBondContact O-CA 3.28Å; I923-V925 HydrophobicContact CG2-CG2 4.46Å; I923-V957 CarbonylContact O-C 3.57Å; I923-V957 WeakPolarHBondContact O-CA 3.28Å; I923-L958 HydrophobicContact CB-CB 4.3Å; I923-L958 HydrophobicContact CD1-CD2 4.37Å; I923-L958 PolarHBondContact N-O 3.17Å; I923-L958 PolarHBondContact O-N 3.09Å
924	V	89.1	Confident	76.6	Confident	3 Å²	3	33.3 Å²	33.3	2%	0.018	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.5	179.1	-172	0	0	0	0	109.7	I573 F592 L594 I917 E922 V955 F956 V957	I573-V924 HydrophobicContact CD1-CB 3.67Å; I573-V924 HydrophobicContact CD1-CG1 3.75Å; I573-V924 HydrophobicContact CD1-CG2 4.2Å; F592-V924 HydrophobicContact CE1-CG1 4.28Å; L594-V924 HydrophobicContact CD2-CG2 3.82Å; I917-V924 PolarHBondContact N-O 3.2Å; I917-V924 PolarHBondContact O-N 3.21Å; E922-V924 HydrophobicContact CG-CG2 4.35Å; V924-V955 HydrophobicContact CG1-CG1 3.54Å; V924-F956 WeakPolarHBondContact CA-O 3.23Å; V924-V957 HydrophobicContact CG1-CG2 4.44Å; V924-V957 HydrophobicContact CG2-CG2 4.3Å
925	V	89	Confident	74.9	Confident	7 Å²	7	35.9 Å²	35.9	4%	0.042	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132.7	-177.7	-172.5	0	0	0	0	109.4	W543 L794 S915 I923 V955 F956	W543-V925 HydrophobicContact CH2-CG2 3.97Å; W543-V925 HydrophobicContact CZ3-CG2 3.87Å; L794-V925 HydrophobicContact CD1-CB 4.47Å; L794-V925 HydrophobicContact CD1-CG1 4.09Å; L794-V925 HydrophobicContact CD1-CG2 3.5Å; L794-V925 VanDerWaalsContact CD1-CG2 3.5Å; S915-V925 WeakPolarHBondContact O-CA 3.43Å; I923-V925 HydrophobicContact CG2-CG2 4.46Å; V925-V955 WeakPolarHBondContact O-CA 3.39Å; V925-F956 HydrophobicContact CB-CB 4.32Å; V925-F956 PolarHBondContact N-O 2.94Å; V925-F956 PolarHBondContact O-N 2.68Å
926	F	89.1	Confident	73.1	Confident	6 Å²	6	40.9 Å²	40.9	3%	0.026	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	141.8	177.8	172.3	-103.3	0	0	0	112.5	I557 R560 H563 V575 W599 S915 D953 V955	I557-F926 HydrophobicContact CB-CZ 4.45Å; I557-F926 HydrophobicContact CD1-CE1 3.89Å; I557-F926 HydrophobicContact CD1-CZ 3.67Å; I557-F926 HydrophobicContact CG1-CZ 4.04Å; I557-F926 HydrophobicContact CG2-CE2 3.59Å; I557-F926 HydrophobicContact CG2-CZ 3.58Å; R560-F926 HydrophobicContact CG-CE1 3.91Å; R560-F926 HydrophobicContact CG-CZ 4.05Å; H563-F926 AromaticContact CE1-CD1 3.97Å; H563-F926 PolarHBondContact CE1-O 3.1Å; H563-F926 VanDerWaalsContact CE1-O 3.31Å; H563-F926 AromaticContact NE2-CD1 3.77Å; V575-F926 HydrophobicContact CG1-CE1 4.21Å; V575-F926 HydrophobicContact CG2-CD1 4.07Å; V575-F926 HydrophobicContact CG2-CE1 4.32Å; W599-F926 AromaticContact CH2-CD1 3.98Å; W599-F926 HydrophobicContact CH2-CD1 3.98Å; W599-F926 HydrophobicContact CH2-CD2 4.39Å; W599-F926 HydrophobicContact CH2-CE1 4.13Å; W599-F926 HydrophobicContact CH2-CE2 4.5Å; W599-F926 HydrophobicContact CH2-CG 4.12Å; W599-F926 HydrophobicContact CH2-CZ 4.39Å; W599-F926 HydrophobicContact CZ2-CD1 4.06Å; W599-F926 AromaticContact CZ2-CD2 3.65Å; W599-F926 HydrophobicContact CZ2-CD2 3.65Å; W599-F926 HydrophobicContact CZ2-CE1 4.24Å; W599-F926 AromaticContact CZ2-CE2 3.81Å; W599-F926 HydrophobicContact CZ2-CE2 3.81Å; W599-F926 AromaticContact CZ2-CG 3.77Å; W599-F926 HydrophobicContact CZ2-CG 3.77Å; W599-F926 HydrophobicContact CZ2-CZ 4.12Å; S915-F926 PolarHBondContact N-O 2.89Å; S915-F926 PolarHBondContact O-N 3.15Å; S915-F926 PolarHBondContact OG-O 3.35Å; F926-D953 WeakPolarHBondContact CE2-O 3.5Å; F926-V955 HydrophobicContact CB-CG2 4.31Å; F926-V955 HydrophobicContact CD2-CG2 3.67Å; F926-V955 HydrophobicContact CG-CG2 4.32Å
927	G	83.5	Confident	71.2	Confident	3 Å²	3	43.3 Å²	43.3	3%	0.031	25%	0.245	C	C	.	.			trans	69.7	-166.5	175.4	0	0	0	0	0	114.1	R560 V952	R560-G927 CarbonylContact O-C 3.38Å; R560-G927 VanDerWaalsContact O-CA 3.26Å; R560-G927 WeakPolarHBondContact O-CA 3.34Å; G927-V952 WeakPolarHBondContact CA-O 3.37Å
928	G	78.6	Confident	69.3	Low	0 Å²	0	44 Å²	44	0%	0	25%	0.251	C	S	.	.			trans	101.8	173.7	-174.9	0	0	0	0	0	113.2	R560 F912 A951 V952	R560-G928 PolarHBondContact O-N 3.48Å; F912-G928 CarbonylContact O-C 3.54Å; F912-G928 WeakPolarHBondContact O-CA 3.44Å; G928-A951 CarbonylContact O-C 3.58Å; G928-A951 VanDerWaalsContact O-CA 3.28Å; G928-A951 WeakPolarHBondContact O-CA 3.34Å; G928-V952 PolarHBondContact O-N 3.16Å
929	V	70.6	Confident	67.4	Low	13 Å²	13	42.2 Å²	42.2	8%	0.079	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	122.9	-178.6	-174.7	0	0	0	0	110.3	F561 T911 F912 F943	F561-V929 HydrophobicContact CB-CG2 3.42Å; F561-V929 VanDerWaalsContact CB-CG2 3.42Å; F561-V929 HydrophobicContact CD1-CG2 3.32Å; F561-V929 HydrophobicContact CD2-CG2 3.77Å; F561-V929 HydrophobicContact CE1-CG2 3.91Å; F561-V929 HydrophobicContact CE2-CG2 4.35Å; F561-V929 HydrophobicContact CG-CG2 3.21Å; F561-V929 HydrophobicContact CZ-CG2 4.39Å; T911-V929 WeakPolarHBondContact CA-O 3.42Å; F912-V929 PolarHBondContact N-O 3.24Å; F912-V929 PolarHBondContact O-N 3.21Å; V929-F943 HydrophobicContact CB-CE2 4.05Å; V929-F943 HydrophobicContact CG1-CE2 4.27Å; V929-F943 HydrophobicContact CG2-CE2 3.73Å; V929-F943 HydrophobicContact CG2-CZ 3.84Å
930	R	70	Confident	65.8	Low	76 Å²	76	43.4 Å²	43.4	29%	0.287	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	131.6	167.3	-73.4	173.2	-79.4	-156	-13.4	110.6	Q909 D910 T911 G949 A950 A951 V952	Q909-R930 HydrophobicContact CB-CG 4.32Å; Q909-R930 VanDerWaalsContact OE1-CD 3.23Å; D910-R930 WeakPolarHBondContact O-CA 3.35Å; T911-R930 HydrophobicContact CG2-CG 3.55Å; R930-G949 VanDerWaalsContact O-CA 3.26Å; R930-G949 WeakPolarHBondContact O-CA 3.41Å; R930-A950 WeakPolarHBondContact CB-O 3.45Å; R930-A950 PolarHBondContact N-O 3.14Å; R930-A950 PolarHBondContact O-N 3.44Å; R930-A951 PolarHBondContact NH2-O 3.34Å; R930-V952 HydrophobicContact CG-CG2 3.79Å
931	Y	62	Low	64.2	Low	82 Å²	82	42.8 Å²	42.8	32%	0.322	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	138.1	170.2	-163.9	-108.4	0	0	0	110.7	G933 S935 P938	Y931-G933 WeakPolarHBondContact CD1-O 3.36Å; Y931-G933 WeakPolarHBondContact CE1-O 3.36Å; Y931-S935 PolarHBondContact OH-O 2.86Å; Y931-S935 PolarHBondContact OH-OG 3.33Å; Y931-P938 HydrophobicContact CD2-CB 4.38Å; Y931-P938 HydrophobicContact CD2-CG 4.27Å; Y931-P938 HydrophobicContact CE2-CB 3.89Å; Y931-P938 HydrophobicContact CE2-CG 4.07Å
932	V	54.8	Low	62.6	Low	97 Å²	97	43.9 Å²	43.9	59%	0.588	26%	0.263	S	S	*	.			trans	-129.9	22.4	-173.4	-158.1	0	0	0	0	112.1	H948	V932-H948 HydrophobicContact CB-CB 4.14Å; V932-H948 PolarHBondContact N-O 3.23Å
933	G	49.9	Very low	60.7	Low	21 Å²	21	46.3 Å²	46.3	22%	0.216	27%	0.274	C	S	.	.			trans	-119.6	151.9	-178.6	0	0	0	0	0	114	Y931 S935	Y931-G933 WeakPolarHBondContact CD1-O 3.36Å; Y931-G933 WeakPolarHBondContact CE1-O 3.36Å; G933-S935 VanDerWaalsContact C-N 3.31Å
934	D	44.8	Very low	58.7	Low	160 Å²	160	50.2 Å²	50.2	86%	0.856	29%	0.291	S	S	*	.			trans	-86.9	1.7	171.6	-72	-42.2	0	0	0	113.2
935	S	39.9	Very low	56.5	Low	69 Å²	69	56.8 Å²	56.8	48%	0.483	32%	0.322	S	S	.	.	S	Bend	trans	-76.5	151.8	-178.5	46.5	0	0	0	0	113.6	Y931 G933	Y931-S935 PolarHBondContact OH-O 2.86Å; Y931-S935 PolarHBondContact OH-OG 3.33Å; G933-S935 VanDerWaalsContact C-N 3.31Å
936	S	43.9	Very low	54.4	Low	107 Å²	107	62.6 Å²	62.6	75%	0.748	35%	0.348	S	S	*	.	S	Bend	trans	-53.6	142.6	-177.3	38.7	0	0	0	0	114.5
937	S	45.3	Very low	52.4	Low	61 Å²	61	70.9 Å²	70.9	43%	0.427	38%	0.384	S	S	.	.			trans	5.3	102.4	170.9	56.9	0	0	0	0	116.2	S939	S937-S939 PolarHBondContact O-N 3.06Å
938	P	46.1	Very low	50.8	Low	27 Å²	27	75.8 Å²	75.8	18%	0.175	41%	0.406	C	S	.	.			trans	-57.3	135.9	175.4	21	-32.6	0	0	0	112.1	W780 Y931 S942	W780-P938 HydrophobicContact CE3-CG 4.32Å; W780-P938 VanDerWaalsContact CH2-CD 3.49Å; W780-P938 HydrophobicContact CH2-CG 3.57Å; W780-P938 WeakPolarHBondContact CH2-O 3.5Å; W780-P938 HydrophobicContact CZ2-CG 4.37Å; W780-P938 WeakPolarHBondContact CZ2-O 3.44Å; W780-P938 HydrophobicContact CZ3-CG 3.55Å; Y931-P938 HydrophobicContact CD2-CB 4.38Å; Y931-P938 HydrophobicContact CD2-CG 4.27Å; Y931-P938 HydrophobicContact CE2-CB 3.89Å; Y931-P938 HydrophobicContact CE2-CG 4.07Å; P938-S942 WeakPolarHBondContact CA-OG 3.35Å
939	S	46.8	Very low	49.6	Very low	44 Å²	44	78 Å²	78	31%	0.308	43%	0.43	S	S	.	.			trans	-103	161.1	166	62.3	0	0	0	0	110.3	S937 S941 S942 F943	S937-S939 PolarHBondContact O-N 3.06Å; S939-S941 PolarHBondContact O-N 2.88Å; S939-S941 PolarHBondContact OG-OG 3.25Å; S939-S942 PolarHBondContact N-OG 3.31Å; S939-S942 PolarHBondContact O-N 2.87Å; S939-S942 PolarHBondContact O-OG 3.26Å; S939-S942 PolarHBondContact OG-N 3.37Å; S939-S942 VanDerWaalsContact OG-N 3.07Å; S939-S942 PolarHBondContact OG-OG 3.18Å; S939-F943 PolarHBondContact O-N 3.36Å; S939-F943 VanDerWaalsContact O-N 3.08Å
940	F	46.5	Very low	48.9	Very low	34 Å²	34	79.1 Å²	79.1	15%	0.149	44%	0.44	C	S	.	.	H	α-helix	trans	-58.6	-28.4	171.5	179.6	-107.3	0	0	0	112.9	W630 N673 L723 E740 F943 F944	W630-F940 HydrophobicContact CH2-CE2 4.06Å; W630-F940 AromaticContact CH2-CZ 3.78Å; W630-F940 HydrophobicContact CH2-CZ 3.78Å; W630-F940 HydrophobicContact CZ3-CZ 4.03Å; N673-F940 WeakPolarHBondContact ND2-CE2 3.36Å; N673-F940 VanDerWaalsContact ND2-CZ 3.26Å; N673-F940 WeakPolarHBondContact ND2-CZ 3.39Å; L723-F940 HydrophobicContact CD1-CD2 3.66Å; L723-F940 HydrophobicContact CD1-CE2 4.07Å; L723-F940 HydrophobicContact CD1-CG 4.28Å; E740-F940 WeakPolarHBondContact OE2-CB 3.28Å; F940-F943 WeakPolarHBondContact O-CB 3.39Å; F940-F944 AromaticContact CE1-CE2 3.96Å; F940-F944 HydrophobicContact CE1-CE2 3.96Å; F940-F944 AromaticContact CE2-CE2 3.94Å; F940-F944 HydrophobicContact CE2-CE2 3.94Å; F940-F944 AromaticContact CZ-CE2 3.61Å; F940-F944 HydrophobicContact CZ-CE2 3.61Å; F940-F944 HydrophobicContact CZ-CZ 4.41Å; F940-F944 WeakPolarHBondContact O-CD2 3.19Å
941	S	44.9	Very low	48.9	Very low	68 Å²	68	75.7 Å²	75.7	48%	0.476	43%	0.427	S	S	.	.	H	α-helix	trans	-66.3	-47	170	67.8	0	0	0	0	112.3	S939 F943 F944 E945	S939-S941 PolarHBondContact O-N 2.88Å; S939-S941 PolarHBondContact OG-OG 3.25Å; S941-F943 PolarHBondContact O-N 2.98Å; S941-F944 PolarHBondContact O-N 2.9Å; S941-F944 VanDerWaalsContact O-N 3.08Å; S941-E945 PolarHBondContact O-N 3.16Å
942	S	44.4	Very low	49.4	Very low	41 Å²	41	72 Å²	72	29%	0.287	41%	0.414	S	S	.	.	H	α-helix	trans	-64.9	-23.2	179.6	73.8	0	0	0	0	113.3	P938 S939 F944 E945	P938-S942 WeakPolarHBondContact CA-OG 3.35Å; S939-S942 PolarHBondContact N-OG 3.31Å; S939-S942 PolarHBondContact O-N 2.87Å; S939-S942 PolarHBondContact O-OG 3.26Å; S939-S942 PolarHBondContact OG-N 3.37Å; S939-S942 VanDerWaalsContact OG-N 3.07Å; S939-S942 PolarHBondContact OG-OG 3.18Å; S942-F944 VanDerWaalsContact C-N 3.32Å; S942-E945 PolarHBondContact O-N 3.27Å
943	F	47	Very low	50.5	Low	52 Å²	52	70.5 Å²	70.5	23%	0.228	40%	0.402	C	S	.	.	H	α-helix	trans	-64.1	-35.8	173.8	-174.7	-95.3	0	0	0	112.5	F561 L913 V929 S939 F940 S941	F561-F943 HydrophobicContact CD2-CE1 4.39Å; F561-F943 AromaticContact CD2-CZ 3.76Å; F561-F943 HydrophobicContact CD2-CZ 3.76Å; F561-F943 AromaticContact CE2-CE1 3.74Å; F561-F943 HydrophobicContact CE2-CE1 3.74Å; F561-F943 AromaticContact CE2-CZ 3.44Å; F561-F943 HydrophobicContact CE2-CZ 3.44Å; F561-F943 VanDerWaalsContact CE2-CZ 3.44Å; F561-F943 HydrophobicContact CZ-CE1 4.32Å; F561-F943 AromaticContact CZ-CZ 3.97Å; F561-F943 HydrophobicContact CZ-CZ 3.97Å; L913-F943 HydrophobicContact CD1-CE1 3.92Å; L913-F943 HydrophobicContact CD1-CE2 4.02Å; L913-F943 HydrophobicContact CD1-CZ 3.61Å; V929-F943 HydrophobicContact CB-CE2 4.05Å; V929-F943 HydrophobicContact CG1-CE2 4.27Å; V929-F943 HydrophobicContact CG2-CE2 3.73Å; V929-F943 HydrophobicContact CG2-CZ 3.84Å; S939-F943 PolarHBondContact O-N 3.36Å; S939-F943 VanDerWaalsContact O-N 3.08Å; F940-F943 WeakPolarHBondContact O-CB 3.39Å; S941-F943 PolarHBondContact O-N 2.98Å
944	F	46.8	Very low	51.8	Low	84 Å²	84	71.6 Å²	71.6	37%	0.368	41%	0.405	S	S	.	.	H	α-helix	trans	-80	-21.1	174	-79.2	-80.7	0	0	0	113.3	W630 F940 S941 S942 Q946	W630-F944 HydrophobicContact CH2-CE2 4.18Å; W630-F944 AromaticContact CH2-CZ 3.68Å; W630-F944 HydrophobicContact CH2-CZ 3.68Å; W630-F944 AromaticContact CZ2-CZ 3.73Å; W630-F944 HydrophobicContact CZ2-CZ 3.73Å; W630-F944 HydrophobicContact CZ3-CZ 4.39Å; F940-F944 AromaticContact CE1-CE2 3.96Å; F940-F944 HydrophobicContact CE1-CE2 3.96Å; F940-F944 AromaticContact CE2-CE2 3.94Å; F940-F944 HydrophobicContact CE2-CE2 3.94Å; F940-F944 AromaticContact CZ-CE2 3.61Å; F940-F944 HydrophobicContact CZ-CE2 3.61Å; F940-F944 HydrophobicContact CZ-CZ 4.41Å; F940-F944 WeakPolarHBondContact O-CD2 3.19Å; S941-F944 PolarHBondContact O-N 2.9Å; S941-F944 VanDerWaalsContact O-N 3.08Å; S942-F944 VanDerWaalsContact C-N 3.32Å; F944-Q946 VanDerWaalsContact C-N 3.26Å; F944-Q946 PolarHBondContact O-N 3.07Å
945	E	42.7	Very low	53.8	Low	141 Å²	141	64 Å²	64	66%	0.659	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	17.2	-175	-67.8	175.2	165.3	0	0	114.7	S941 S942	S941-E945 PolarHBondContact O-N 3.16Å; S942-E945 PolarHBondContact O-N 3.27Å
946	Q	44.5	Very low	56	Low	128 Å²	128	62.5 Å²	62.5	60%	0.598	35%	0.349	S	S	*	.			trans	38.4	86.9	163	-70.6	-171.2	-10.5	0	0	117.1	F583 F944	F583-Q946 VanDerWaalsContact CD2-NE2 3.26Å; F583-Q946 HydrophobicContact CE1-CG 4.44Å; F583-Q946 HydrophobicContact CE2-CG 3.77Å; F583-Q946 HydrophobicContact CZ-CG 3.67Å; F944-Q946 VanDerWaalsContact C-N 3.26Å; F944-Q946 PolarHBondContact O-N 3.07Å
947	K	47.6	Very low	58	Low	180 Å²	180	57.6 Å²	57.6	78%	0.783	32%	0.315	S	S	*	.	S	Bend	trans	-128.2	-50.6	158.9	-71.6	-166.3	173.8	177.3	0	116.3
948	H	50.4	Low	60	Low	106 Å²	106	54.7 Å²	54.7	49%	0.491	30%	0.295	S	S	.	.	S	Bend	trans	-144.3	67.3	-165.5	-60.3	-58.2	0	0	0	115	V932	V932-H948 HydrophobicContact CB-CB 4.14Å; V932-H948 PolarHBondContact N-O 3.23Å
949	G	52.6	Low	61.8	Low	48 Å²	48	56.1 Å²	56.1	50%	0.495	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	138.5	179.2	0	0	0	0	0	115	R930	R930-G949 VanDerWaalsContact O-CA 3.26Å; R930-G949 WeakPolarHBondContact O-CA 3.41Å
950	A	56.6	Low	63.5	Low	35 Å²	35	54.3 Å²	54.3	29%	0.289	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	126.9	178.3	0	0	0	0	0	112.9	R930	R930-A950 WeakPolarHBondContact CB-O 3.45Å; R930-A950 PolarHBondContact N-O 3.14Å; R930-A950 PolarHBondContact O-N 3.44Å
951	A	68.5	Low	64.6	Low	4 Å²	4	53.6 Å²	53.6	3%	0.033	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	161.8	179.5	0	0	0	0	0	113.1	F561 S581 G928 R930	F561-A951 HydrophobicContact CD1-CB 4.18Å; S581-A951 VanDerWaalsContact OG-CB 3.22Å; S581-A951 WeakPolarHBondContact OG-CB 3.2Å; S581-A951 PolarHBondContact OG-N 3.04Å; G928-A951 CarbonylContact O-C 3.58Å; G928-A951 VanDerWaalsContact O-CA 3.28Å; G928-A951 WeakPolarHBondContact O-CA 3.34Å; R930-A951 PolarHBondContact NH2-O 3.34Å
952	V	72.6	Confident	65.6	Low	6 Å²	6	52.9 Å²	52.9	4%	0.036	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-116.4	141.2	-179.6	-177.6	0	0	0	0	111.3	S559 R560 T911 G927 G928 R930	S559-V952 VanDerWaalsContact CA-O 3.25Å; S559-V952 WeakPolarHBondContact CA-O 3.31Å; R560-V952 PolarHBondContact N-O 2.84Å; R560-V952 VanDerWaalsContact N-O 3.1Å; T911-V952 HydrophobicContact CG2-CG2 3.64Å; G927-V952 WeakPolarHBondContact CA-O 3.37Å; G928-V952 PolarHBondContact O-N 3.16Å; R930-V952 HydrophobicContact CG-CG2 3.79Å
953	D	77.8	Confident	66	Low	64 Å²	64	52.2 Å²	52.2	34%	0.342	28%	0.275	S	S	.	.			trans	-116.1	-15.6	174.8	47.5	11.1	0	0	0	113	Q548 F926	Q548-D953 PolarHBondContact NE2-O 2.94Å; Q548-D953 VanDerWaalsContact NE2-O 3.07Å; F926-D953 WeakPolarHBondContact CE2-O 3.5Å
954	T	79.1	Confident	65.7	Low	45 Å²	45	58.8 Å²	58.8	28%	0.276	30%	0.304	S	S	.	.			trans	-75.1	134.5	-178.3	-50.5	0	0	0	0	109.9	P545 F956	P545-T954 HydrophobicContact CB-CG2 4.49Å; T954-F956 HydrophobicContact CG2-CD2 4.14Å; T954-F956 HydrophobicContact CG2-CE1 4.39Å; T954-F956 HydrophobicContact CG2-CE2 3.62Å; T954-F956 HydrophobicContact CG2-CZ 3.76Å
955	V	86.2	Confident	64.9	Low	0 Å²	0	59 Å²	59	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	130.7	169.6	178.2	0	0	0	0	107.9	V546 F592 W599 V924 V925 F926	V546-V955 HydrophobicContact CB-CB 4.05Å; V546-V955 HydrophobicContact CB-CG1 4.4Å; V546-V955 HydrophobicContact CG2-CB 4.08Å; V546-V955 HydrophobicContact CG2-CG1 3.87Å; V546-V955 PolarHBondContact N-O 3.49Å; F592-V955 HydrophobicContact CE1-CG1 3.97Å; F592-V955 HydrophobicContact CE2-CG2 4.16Å; F592-V955 HydrophobicContact CZ-CB 4.33Å; F592-V955 HydrophobicContact CZ-CG1 3.89Å; F592-V955 HydrophobicContact CZ-CG2 4.26Å; W599-V955 HydrophobicContact CZ2-CG2 3.7Å; V924-V955 HydrophobicContact CG1-CG1 3.54Å; V925-V955 WeakPolarHBondContact O-CA 3.39Å; F926-V955 HydrophobicContact CB-CG2 4.31Å; F926-V955 HydrophobicContact CD2-CG2 3.67Å; F926-V955 HydrophobicContact CG-CG2 4.32Å
956	F	85.6	Confident	64.3	Low	37 Å²	37	59 Å²	59	16%	0.162	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	144.8	172.1	-65.8	-95.3	0	0	0	109.5	W543 P545 P908 V924 V925 T954	W543-F956 HydrophobicContact CE3-CB 4.04Å; W543-F956 HydrophobicContact CZ3-CB 3.98Å; P545-F956 HydrophobicContact CB-CD1 4.3Å; P545-F956 HydrophobicContact CB-CE1 4.17Å; P908-F956 HydrophobicContact CB-CD1 4.13Å; P908-F956 HydrophobicContact CB-CD2 3.9Å; P908-F956 HydrophobicContact CB-CE1 4.11Å; P908-F956 HydrophobicContact CB-CE2 3.88Å; P908-F956 HydrophobicContact CB-CG 4.03Å; P908-F956 HydrophobicContact CB-CZ 3.99Å; P908-F956 HydrophobicContact CG-CG 4.35Å; V924-F956 WeakPolarHBondContact CA-O 3.23Å; V925-F956 HydrophobicContact CB-CB 4.32Å; V925-F956 PolarHBondContact N-O 2.94Å; V925-F956 PolarHBondContact O-N 2.68Å; T954-F956 HydrophobicContact CG2-CD2 4.14Å; T954-F956 HydrophobicContact CG2-CE1 4.39Å; T954-F956 HydrophobicContact CG2-CE2 3.62Å; T954-F956 HydrophobicContact CG2-CZ 3.76Å
957	V	86.4	Confident	63.4	Low	5 Å²	5	59.6 Å²	59.6	3%	0.03	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	127.6	176.2	179.7	0	0	0	0	108.7	F544 V546 E922 I923 V924 K959	F544-V957 PolarHBondContact N-O 3.33Å; F544-V957 PolarHBondContact O-N 2.96Å; V546-V957 HydrophobicContact CG2-CG2 3.67Å; E922-V957 HydrophobicContact CB-CG1 3.89Å; E922-V957 HydrophobicContact CG-CG1 4.35Å; E922-V957 WeakPolarHBondContact OE2-CG1 3.47Å; I923-V957 CarbonylContact O-C 3.57Å; I923-V957 WeakPolarHBondContact O-CA 3.28Å; V924-V957 HydrophobicContact CG1-CG2 4.44Å; V924-V957 HydrophobicContact CG2-CG2 4.3Å; V957-K959 HydrophobicContact CG1-CB 4.45Å
958	L	86.7	Confident	62.4	Low	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	116.7	170.9	-178.1	63.6	0	0	0	108.1	L541 E542 W543 V882 E922 I923	L541-L958 HydrophobicContact CB-CD1 3.72Å; L541-L958 HydrophobicContact CB-CG 4.14Å; L541-L958 HydrophobicContact CD1-CD2 4.13Å; L541-L958 HydrophobicContact CD1-CG 4.33Å; E542-L958 WeakPolarHBondContact O-CA 3.41Å; W543-L958 HydrophobicContact CD2-CB 4.13Å; W543-L958 HydrophobicContact CD2-CD1 3.8Å; W543-L958 HydrophobicContact CD2-CG 4.43Å; W543-L958 HydrophobicContact CE3-CB 3.89Å; W543-L958 HydrophobicContact CE3-CD1 4.41Å; W543-L958 HydrophobicContact CG-CD1 3.87Å; W543-L958 HydrophobicContact CH2-CB 4.16Å; W543-L958 HydrophobicContact CH2-CD2 4.3Å; W543-L958 HydrophobicContact CZ2-CB 4.37Å; W543-L958 HydrophobicContact CZ2-CD1 4.41Å; W543-L958 HydrophobicContact CZ2-CD2 3.93Å; W543-L958 HydrophobicContact CZ2-CG 4.48Å; W543-L958 HydrophobicContact CZ3-CB 3.9Å; V882-L958 HydrophobicContact CG1-CD2 4.3Å; V882-L958 HydrophobicContact CG2-CD2 3.73Å; E922-L958 CarbonylContact C-O 3.57Å; E922-L958 WeakPolarHBondContact CA-O 3.42Å; I923-L958 HydrophobicContact CB-CB 4.3Å; I923-L958 HydrophobicContact CD1-CD2 4.37Å; I923-L958 PolarHBondContact N-O 3.17Å; I923-L958 PolarHBondContact O-N 3.09Å
959	K	84.5	Confident	61.2	Low	56 Å²	56	54.9 Å²	54.9	24%	0.243	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	158.7	-179.1	65.1	173.5	-174.8	167.4	0	111.3	E542 F544 E922 V957	E542-K959 PolarHBondContact N-O 3.27Å; E542-K959 PolarHBondContact O-N 3.29Å; E542-K959 VanDerWaalsContact O-N 3.11Å; F544-K959 HydrophobicContact CD2-CD 4.28Å; F544-K959 HydrophobicContact CD2-CG 3.79Å; F544-K959 HydrophobicContact CE2-CD 4.12Å; F544-K959 VanDerWaalsContact CE2-CE 3.45Å; F544-K959 HydrophobicContact CE2-CG 3.54Å; E922-K959 HydrophobicContact CB-CB 3.84Å; V957-K959 HydrophobicContact CG1-CB 4.45Å
960	S	81.5	Confident	60	Low	6 Å²	6	57.6 Å²	57.6	4%	0.042	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	139	173.6	-171.3	0	0	0	0	111.4	N534 R539 N540	N534-S960 WeakPolarHBondContact CB-OG 3.23Å; R539-S960 PolarHBondContact O-OG 3.11Å; N540-S960 WeakPolarHBondContact O-CA 2.96Å
961	S	70.8	Confident	58.4	Low	20 Å²	20	61 Å²	61	14%	0.14	35%	0.347	C	S	.	.			trans	-97.8	136.7	169.7	65.8	0	0	0	0	111.5	N540 E542	N540-S961 PolarHBondContact O-N 3Å; N540-S961 PolarHBondContact O-OG 3.46Å; E542-S961 VanDerWaalsContact OE1-CB 3.29Å; E542-S961 WeakPolarHBondContact OE1-CB 3.34Å; E542-S961 PolarHBondContact OE1-OG 2.88Å
962	L	64.7	Low	56.5	Low	52 Å²	52	75 Å²	75	27%	0.272	40%	0.4	S	S	.	.	S	Bend	trans	-87.6	-12	172	-80.8	174.4	0	0	0	113.3	K530 L531	K530-L962 HydrophobicContact CB-CD1 4.3Å; K530-L962 HydrophobicContact CB-CD2 3.91Å; K530-L962 HydrophobicContact CD-CD2 4.26Å; L531-L962 HydrophobicContact CD2-CD1 3.8Å; L531-L962 HydrophobicContact CD2-CG 3.79Å; L531-L962 HydrophobicContact CG-CD1 3.78Å; L531-L962 HydrophobicContact CG-CG 4.27Å
963	G	52.8	Low	55.7	Low	28 Å²	28	78.4 Å²	78.4	29%	0.289	42%	0.419	S	S	.	.	S	Bend	trans	-102.2	114.3	174.4	0	0	0	0	0	111.5	S965	G963-S965 PolarHBondContact O-N 2.87Å
964	K	41.2	Very low	54.6	Low	190 Å²	190	79.2 Å²	79.2	83%	0.826	42%	0.423	S	S	*	.			trans	-53.3	126.2	148.4	-78.8	-177	178.6	177.5	0	106.3	I966	K964-I966 VanDerWaalsContact C-N 3.35Å; K964-I966 PolarHBondContact O-N 2.76Å
965	S	30.8	Very low	53.2	Low	87 Å²	87	81.1 Å²	81.1	61%	0.608	43%	0.431	S	S	*	.			trans	-24.3	88	170.6	157.6	0	0	0	0	113.5	G963 K967	G963-S965 PolarHBondContact O-N 2.87Å; S965-K967 PolarHBondContact O-N 2.88Å; S965-K967 WeakPolarHBondContact OG-CG 3.48Å
966	I	29.6	Very low	51.3	Low	142 Å²	142	85.8 Å²	85.8	73%	0.728	46%	0.456	S	S	*	.			trans	-74.2	74.5	154.8	-51.7	179.2	0	0	0	104.6	K964	K964-I966 VanDerWaalsContact C-N 3.35Å; K964-I966 PolarHBondContact O-N 2.76Å
967	K	26	Very low	49.1	Very low	141 Å²	141	88.9 Å²	88.9	61%	0.613	48%	0.475	S	S	*	.			trans	-53.3	131.6	141.5	-79.6	165.3	-175.5	171.7	0	104.2	S965 S969	S965-K967 PolarHBondContact O-N 2.88Å; S965-K967 WeakPolarHBondContact OG-CG 3.48Å; K967-S969 VanDerWaalsContact C-N 3.34Å; K967-S969 PolarHBondContact O-N 2.88Å
968	P	26	Very low	46.6	Very low	111 Å²	111	94.5 Å²	94.5	72%	0.721	50%	0.504	S	S	*	.			trans	-54.1	109.9	166.1	22	-29.4	0	0	0	106.1	S970	P968-S970 PolarHBondContact O-N 3.25Å
969	S	25.2	Very low	43.8	Very low	75 Å²	75	101.2 Å²	101.2	52%	0.524	54%	0.54	S	S	.	.			trans	-63.8	127.9	169.8	42.3	0	0	0	0	105.1	K967 T971	K967-S969 VanDerWaalsContact C-N 3.34Å; K967-S969 PolarHBondContact O-N 2.88Å; S969-T971 PolarHBondContact O-N 3.4Å; S969-T971 PolarHBondContact OG-O 3.22Å; S969-T971 VanDerWaalsContact OG-O 3.14Å
970	S	26.8	Very low	40.6	Very low	105 Å²	105	104.7 Å²	104.7	73%	0.734	56%	0.563	S	S	*	*	S	Bend	trans	-74.8	47	175.1	59.8	0	0	0	0	110.4	P968	P968-S970 PolarHBondContact O-N 3.25Å
971	T	24.5	Very low	37.2	Very low	107 Å²	107	112.9 Å²	112.9	66%	0.656	61%	0.606	S	S	*	*			trans	-177	85.6	-167.8	19.9	0	0	0	0	107.1	S969	S969-T971 PolarHBondContact O-N 3.4Å; S969-T971 PolarHBondContact OG-O 3.22Å; S969-T971 VanDerWaalsContact OG-O 3.14Å
972	Y	28.3	Very low	34.2	Very low	297 Å²	297	121.4 Å²	121.4	100%	1.165	65%	0.649	S	S	*	*			trans	-176.5	0	138	-104.9	-65.4	0	0	0	109.2

Retrieved 972 of 972 residues in 1221.9 ms (Link to these results)

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